ID 5EBZA STANDARD; PRT; 655 AA. DT CONVERTED FROM PDB (SEQRES) 5EBZ DE Inhibitor of nuclear factor kappa-B kinase subunit alpha OS Homo sapiens CC EXPDTA X-RAY DIFFRACTION CC RESOLU 4.500 CC R-Factor 0.238 FT #SUB 466 471 SER A 469 474 GLN B Protein A 5 FT #SUB 469 474 GLN A 466 471 SER B Protein S 4 FT #SUB 469 474 GLN A 469 474 GLN B Protein S 1 FT #SUB 470 475 GLN A 473 478 ALA B Protein A 4 FT #SUB 473 478 ALA A 470 475 GLN B Protein S 3 FT #SUB 473 478 ALA A 473 478 ALA B Protein S 1 FT #SUB 473 478 ALA A 474 479 LYS B Protein B 3 FT #SUB 474 479 LYS A 473 478 ALA B Protein S 4 FT #SUB 474 479 LYS A 476 481 GLU B Protein S 5 FT #SUB 474 479 LYS A 477 482 PHE B Protein A 3 FT #SUB 476 481 GLU A 474 479 LYS B Protein S 5 FT #SUB 476 481 GLU A 635 640 MET B Protein S 1 FT #SUB 477 482 PHE A 474 479 LYS B Protein A 3 FT #SUB 477 482 PHE A 477 482 PHE B Protein A 11 FT #SUB 477 482 PHE A 478 483 PHE B Protein S 2 FT #SUB 477 482 PHE A 634 639 VAL B Protein S 4 FT #SUB 477 482 PHE A 635 640 MET B Protein S 3 FT #SUB 477 482 PHE A 638 643 GLN B Protein A 5 FT #SUB 477 482 PHE A 641 646 ARG B Protein S 2 FT #SUB 478 483 PHE A 477 482 PHE B Protein S 2 FT #SUB 480 485 LYS A 635 640 MET B Protein S 7 FT #SUB 480 485 LYS A 636 641 PHE B Protein S 2 FT #SUB 480 485 LYS A 638 643 GLN B Protein S 3 FT #SUB 481 486 SER A 638 643 GLN B Protein A 9 FT #SUB 481 486 SER A 642 647 GLN B Protein A 9 FT #SUB 484 489 LEU A 638 643 GLN B Protein S 2 FT #SUB 484 489 LEU A 642 647 GLN B Protein S 6 FT #SUB 484 489 LEU A 643 648 LYS B Protein S 4 FT #SUB 485 490 ASP A 642 647 GLN B Protein S 8 FT #SUB 485 490 ASP A 646 651 TRP B Protein A 10 FT #SUB 488 493 ARG A 643 648 LYS B Protein S 1 FT #SUB 488 493 ARG A 646 651 TRP B Protein A 8 FT #SUB 489 494 TYR A 646 651 TRP B Protein A 4 FT #SUB 492 497 GLN A 646 651 TRP B Protein S 5 FT #SUB 492 497 GLN A 649 654 LEU B Protein S 3 FT #SUB 492 497 GLN A 650 655 LYS B Protein S 5 FT #SUB 495 500 TYR A 653 658 CYS B Protein B 1 FT #SUB 496 501 GLY A 650 655 LYS B Protein B 5 FT #SUB 496 501 GLY A 653 658 CYS B Protein B 3 FT #SUB 497 502 ILE A 649 654 LEU B Protein S 2 FT #SUB 497 502 ILE A 653 658 CYS B Protein A 2 FT #SUB 634 639 VAL A 477 482 PHE B Protein B 3 FT #SUB 635 640 MET A 476 481 GLU B Protein S 4 FT #SUB 635 640 MET A 477 482 PHE B Protein A 3 FT #SUB 635 640 MET A 480 485 LYS B Protein A 8 FT #SUB 636 641 PHE A 480 485 LYS B Protein A 3 FT #SUB 638 643 GLN A 477 482 PHE B Protein S 4 FT #SUB 638 643 GLN A 480 485 LYS B Protein S 4 FT #SUB 638 643 GLN A 481 486 SER B Protein S 9 FT #SUB 638 643 GLN A 484 489 LEU B Protein A 4 FT #SUB 639 644 GLY A 484 489 LEU B Protein B 1 FT #SUB 641 646 ARG A 477 482 PHE B Protein S 2 FT #SUB 641 646 ARG A 642 647 GLN B Protein B 1 FT #SUB 642 647 GLN A 481 486 SER B Protein S 9 FT #SUB 642 647 GLN A 484 489 LEU B Protein S 6 FT #SUB 642 647 GLN A 485 490 ASP B Protein S 8 FT #SUB 642 647 GLN A 641 646 ARG B Protein S 1 FT #SUB 643 648 LYS A 484 489 LEU B Protein A 5 FT #SUB 643 648 LYS A 488 493 ARG B Protein A 10 FT #SUB 645 650 ILE A 645 650 ILE B Protein S 2 FT #SUB 646 651 TRP A 485 490 ASP B Protein S 12 FT #SUB 646 651 TRP A 488 493 ARG B Protein S 16 FT #SUB 646 651 TRP A 489 494 TYR B Protein S 5 FT #SUB 646 651 TRP A 492 497 GLN B Protein S 5 FT #SUB 647 652 HIS A 488 493 ARG B Protein A 2 FT #SUB 649 654 LEU A 492 497 GLN B Protein S 3 FT #SUB 649 654 LEU A 497 502 ILE B Protein S 3 FT #SUB 650 655 LYS A 492 497 GLN B Protein S 7 FT #SUB 650 655 LYS A 495 500 TYR B Protein S 1 FT #SUB 650 655 LYS A 496 501 GLY B Protein S 4 FT #SUB 652 657 ALA A 652 657 ALA B Protein A 5 FT #SUB 652 657 ALA A 655 660 GLN B Protein B 1 FT #SUB 653 658 CYS A 495 500 TYR B Protein A 4 FT #SUB 653 658 CYS A 496 501 GLY B Protein S 5 FT #SUB 655 660 GLN A 652 657 ALA B Protein S 1 FT #SUB 15 20 ARG A 406 411 VAL C Protein S 2 FT #SUB 15 20 ARG A 407 412 GLN C Protein S 5 FT #SUB 15 20 ARG A 409 414 SER C Protein S 1 FT #SUB 16 21 LEU A 407 412 GLN C Protein B 6 FT #SUB 16 21 LEU A 408 413 ASP C Protein B 1 FT #SUB 17 22 GLY A 407 412 GLN C Protein B 1 FT #SUB 20 25 GLY A 403 408 ASN C Protein B 1 FT #SUB 21 26 PHE A 397 402 SER C Protein S 1 FT #SUB 21 26 PHE A 398 403 LEU C Protein S 2 FT #SUB 21 26 PHE A 403 408 ASN C Protein A 8 FT #SUB 22 27 GLY A 403 408 ASN C Protein B 1 FT #SUB 22 27 GLY A 407 412 GLN C Protein B 6 FT #SUB 23 28 ASN A 407 412 GLN C Protein A 8 FT #SUB 176 181 PHE A 248 253 ARG C Protein S 10 FT #SUB 178 183 GLY A 243 248 MET C Protein B 1 FT #SUB 179 184 THR A 243 248 MET C Protein A 5 FT #SUB 180 185 LEU A 244 249 SER C Protein B 2 FT #SUB 221 226 GLN A 241 246 GLU C Protein S 1 FT #SUB 221 226 GLN A 245 250 GLY C Protein S 4 FT #SUB 222 227 PRO A 244 249 SER C Protein A 8 FT #SUB 223 228 PHE A 228 233 LYS C Protein S 4 FT #SUB 223 228 PHE A 244 249 SER C Protein A 2 FT #SUB 223 228 PHE A 245 250 GLY C Protein S 5 FT #SUB 223 228 PHE A 246 251 GLU C Protein A 9 FT #SUB 568 573 HIS A 412 417 GLN C Protein S 2 FT #SUB 570 575 PRO A 569 574 ARG C Protein S 1 FT #SUB 570 575 PRO A 570 575 PRO C Protein A 3 FT #SUB 571 576 SER A 570 575 PRO C Protein S 1 FT #SUB 571 576 SER A 571 576 SER C Protein S 4 FT #SUB 571 576 SER A 572 577 ASP C Protein S 8 FT #SUB 571 576 SER A 574 579 SER C Protein B 1 FT #SUB 571 576 SER A 575 580 TYR C Protein A 6 FT #SUB 572 577 ASP A 574 579 SER C Protein A 9 FT #SUB 573 578 HIS A 573 578 HIS C Protein S 4 FT #SUB 573 578 HIS A 574 579 SER C Protein A 14 FT #SUB 228 233 LYS A 223 228 PHE E Protein S 4 FT #SUB 243 248 MET A 178 183 GLY E Protein S 1 FT #SUB 243 248 MET A 179 184 THR E Protein S 6 FT #SUB 243 248 MET A 221 226 GLN E Protein B 1 FT #SUB 244 249 SER A 180 185 LEU E Protein S 2 FT #SUB 244 249 SER A 221 226 GLN E Protein B 2 FT #SUB 244 249 SER A 222 227 PRO E Protein A 9 FT #SUB 244 249 SER A 223 228 PHE E Protein B 1 FT #SUB 245 250 GLY A 221 226 GLN E Protein B 5 FT #SUB 245 250 GLY A 223 228 PHE E Protein B 3 FT #SUB 246 251 GLU A 223 228 PHE E Protein S 6 FT #SUB 248 253 ARG A 176 181 PHE E Protein S 6 FT #SUB 398 403 LEU A 21 26 PHE E Protein S 2 FT #SUB 400 405 ASP A 21 26 PHE E Protein S 1 FT #SUB 403 408 ASN A 21 26 PHE E Protein S 10 FT #SUB 403 408 ASN A 22 27 GLY E Protein S 2 FT #SUB 406 411 VAL A 15 20 ARG E Protein B 3 FT #SUB 407 412 GLN A 15 20 ARG E Protein A 7 FT #SUB 407 412 GLN A 16 21 LEU E Protein A 6 FT #SUB 407 412 GLN A 17 22 GLY E Protein S 1 FT #SUB 407 412 GLN A 22 27 GLY E Protein S 9 FT #SUB 407 412 GLN A 23 28 ASN E Protein S 5 FT #SUB 408 413 ASP A 16 21 LEU E Protein B 2 FT #SUB 408 413 ASP A 17 22 GLY E Protein S 1 FT #SUB 409 414 SER A 15 20 ARG E Protein S 1 FT #SUB 412 417 GLN A 568 573 HIS E Protein S 2 FT #SUB 569 574 ARG A 570 575 PRO E Protein S 6 FT #SUB 570 575 PRO A 570 575 PRO E Protein B 2 FT #SUB 570 575 PRO A 571 576 SER E Protein B 3 FT #SUB 571 576 SER A 571 576 SER E Protein A 6 FT #SUB 572 577 ASP A 571 576 SER E Protein B 4 FT #SUB 572 577 ASP A 572 577 ASP E Protein B 1 FT #SUB 573 578 HIS A 573 578 HIS E Protein B 6 FT #SUB 574 579 SER A 572 577 ASP E Protein S 11 FT #SUB 574 579 SER A 573 578 HIS E Protein A 9 FT #SUB 575 580 TYR A 571 576 SER E Protein A 3 FT #HET 16 21 LEU A 101 701 5TL A S 11 FT #HET 18 23 THR A 101 701 5TL A B 4 FT #HET 24 29 VAL A 101 701 5TL A S 4 FT #HET 90 95 MET A 101 701 5TL A S 2 FT #HET 91 96 GLU A 101 701 5TL A B 4 FT #HET 92 97 TYR A 101 701 5TL A A 9 FT #HET 93 98 CYS A 101 701 5TL A B 5 FT #HET 96 101 GLY A 101 701 5TL A B 4 FT #HET 97 102 ASP A 101 701 5TL A A 9 FT #HET 100 105 LYS A 2 2 GLC M S 5 FT #HET 104 109 LYS A 2 2 GLC M S 5 FT #HET 146 151 VAL A 101 701 5TL A S 6 FT #HET 159 164 ILE A 101 701 5TL A S 5 FT #HET 160 165 ASP A 101 701 5TL A S 3 FT #HET 444 449 ARG A 13 7 5TH O S 3 FT #HET 541 546 LYS A 8 2 5TJ O S 3 FT #HET 546 551 ARG A 13 7 5TH O S 1 FT #HET 547 552 ARG A 13 7 5TH O S 5 FT #HET 558 563 ARG A 4 1 5LS N S 2 FT #HET 558 563 ARG A 5 2 GLC N S 5 FT #HET 587 592 HIS A 4 1 5LS N S 3 FT #HET 587 592 HIS A 5 2 GLC N S 10 FT #HET 587 592 HIS A 6 3 PDX N B 1 FT #HET 590 595 GLN A 6 3 PDX N A 7 FT #HET 591 596 SER A 6 3 PDX N A 3 FT #HET 594 599 ARG A 6 3 PDX N S 10 CC SEQUENCE 655 AA (ATOM); CC DPEFGAGGPW EMRERLGTGG FGNVCLYQHR ELDLKIAIKS CRLELSTKNR ERWCHEIQIM CC KKLNHANVVK ACDVPEELNI LIHDVPLLAM EYCSGGDLRK LLNKPENCCG LKESQILSLL CC SDIGSGIRYL HENKIIHRDL KPENIVLQDV GGKIIHKIID LGYAKDVDQG ELCTEFVGTL CC QYLAPELFEN KPYTATVDYW SFGTMVFECI AGYRPFLHHL QPFTWHEKIK KKDPKCIFAC CC EEMSGEVRFS SHLPQPNSLC SLIVEPMENW LQLMLNWDPQ QRGGPVDLTL KQPRCFVLMD CC HILNLKIVHI LNMTSAKIIS FLLPPDESLH SLQSRIERET GINTGSQELL SETGISLDPR CC KPASQCVLDG VRGCDSYMVY LFDKSKTVYE GPFASRSLSD CVNYIVQDSK IQLPIIQLRK CC VWAEAVHYVS GLKEDYSRLF QGQRAAMLSL LRYNANLTKM KNTLISASQQ LKAKLEFFHK CC SIQLDLERYS EQMTYGISSE KMLKAWKEME EKAIHYAEVG VIGYLEDQIM SLHAEIMELQ CC KSPYGRRQGD LMESLEQRAI DLYKQLKHRP SDHSYSDSTE MVKIIVHTVQ SQDRVLKELF CC GHLSKLLGCK QKIIDLLPKV EVALSNIKEA DNTVMFMQGK RQKEIWHLLK IACTQ CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES DPEFGAGGPWEMRERLGTGGFGNVCLYQHRELDLKIAIKSCRLELSTKNR CC ATOM DPEFGAGGPWEMRERLGTGGFGNVCLYQHRELDLKIAIKSCRLELSTKNR CC ************************************************** CC SEQRES ERWCHEIQIMKKLNHANVVKACDVPEELNILIHDVPLLAMEYCSGGDLRK CC ATOM ERWCHEIQIMKKLNHANVVKACDVPEELNILIHDVPLLAMEYCSGGDLRK CC ************************************************** CC SEQRES LLNKPENCCGLKESQILSLLSDIGSGIRYLHENKIIHRDLKPENIVLQDV CC ATOM LLNKPENCCGLKESQILSLLSDIGSGIRYLHENKIIHRDLKPENIVLQDV CC ************************************************** CC SEQRES GGKIIHKIIDLGYAKDVDQGELCTEFVGTLQYLAPELFENKPYTATVDYW CC ATOM GGKIIHKIIDLGYAKDVDQGELCTEFVGTLQYLAPELFENKPYTATVDYW CC ************************************************** CC SEQRES SFGTMVFECIAGYRPFLHHLQPFTWHEKIKKKDPKCIFACEEMSGEVRFS CC ATOM SFGTMVFECIAGYRPFLHHLQPFTWHEKIKKKDPKCIFACEEMSGEVRFS CC ************************************************** CC SEQRES SHLPQPNSLCSLIVEPMENWLQLMLNWDPQQRGGPVDLTLKQPRCFVLMD CC ATOM SHLPQPNSLCSLIVEPMENWLQLMLNWDPQQRGGPVDLTLKQPRCFVLMD CC ************************************************** CC SEQRES HILNLKIVHILNMTSAKIISFLLPPDESLHSLQSRIERETGINTGSQELL CC ATOM HILNLKIVHILNMTSAKIISFLLPPDESLHSLQSRIERETGINTGSQELL CC ************************************************** CC SEQRES SETGISLDPRKPASQCVLDGVRGCDSYMVYLFDKSKTVYEGPFASRSLSD CC ATOM SETGISLDPRKPASQCVLDGVRGCDSYMVYLFDKSKTVYEGPFASRSLSD CC ************************************************** CC SEQRES CVNYIVQDSKIQLPIIQLRKVWAEAVHYVSGLKEDYSRLFQGQRAAMLSL CC ATOM CVNYIVQDSKIQLPIIQLRKVWAEAVHYVSGLKEDYSRLFQGQRAAMLSL CC ************************************************** CC SEQRES LRYNANLTKMKNTLISASQQLKAKLEFFHKSIQLDLERYSEQMTYGISSE CC ATOM LRYNANLTKMKNTLISASQQLKAKLEFFHKSIQLDLERYSEQMTYGISSE CC ************************************************** CC SEQRES KMLKAWKEMEEKAIHYAEVGVIGYLEDQIMSLHAEIMELQKSPYGRRQGD CC ATOM KMLKAWKEMEEKAIHYAEVGVIGYLEDQIMSLHAEIMELQKSPYGRRQGD CC ************************************************** CC SEQRES LMESLEQRAIDLYKQLKHRPSDHSYSDSTEMVKIIVHTVQSQDRVLKELF CC ATOM LMESLEQRAIDLYKQLKHRPSDHSYSDSTEMVKIIVHTVQSQDRVLKELF CC ************************************************** CC SEQRES GHLSKLLGCKQKIIDLLPKVEVALSNIKEADNTVMFMQGKRQKEIWHLLK CC ATOM GHLSKLLGCKQKIIDLLPKVEVALSNIKEADNTVMFMQGKRQKEIWHLLK CC ************************************************** CC SEQRES IACTQ CC ATOM IACTQ CC ***** SQ SEQUENCE 655 AA; MW; CN; DPEFGAGGPW EMRERLGTGG FGNVCLYQHR ELDLKIAIKS CRLELSTKNR ERWCHEIQIM KKLNHANVVK ACDVPEELNI LIHDVPLLAM EYCSGGDLRK LLNKPENCCG LKESQILSLL SDIGSGIRYL HENKIIHRDL KPENIVLQDV GGKIIHKIID LGYAKDVDQG ELCTEFVGTL QYLAPELFEN KPYTATVDYW SFGTMVFECI AGYRPFLHHL QPFTWHEKIK KKDPKCIFAC EEMSGEVRFS SHLPQPNSLC SLIVEPMENW LQLMLNWDPQ QRGGPVDLTL KQPRCFVLMD HILNLKIVHI LNMTSAKIIS FLLPPDESLH SLQSRIERET GINTGSQELL SETGISLDPR KPASQCVLDG VRGCDSYMVY LFDKSKTVYE GPFASRSLSD CVNYIVQDSK IQLPIIQLRK VWAEAVHYVS GLKEDYSRLF QGQRAAMLSL LRYNANLTKM KNTLISASQQ LKAKLEFFHK SIQLDLERYS EQMTYGISSE KMLKAWKEME EKAIHYAEVG VIGYLEDQIM SLHAEIMELQ KSPYGRRQGD LMESLEQRAI DLYKQLKHRP SDHSYSDSTE MVKIIVHTVQ SQDRVLKELF GHLSKLLGCK QKIIDLLPKV EVALSNIKEA DNTVMFMQGK RQKEIWHLLK IACTQ // ID 5EBZB STANDARD; PRT; 655 AA. DT CONVERTED FROM PDB (SEQRES) 5EBZ DE Inhibitor of nuclear factor kappa-B kinase subunit alpha OS Homo sapiens CC EXPDTA X-RAY DIFFRACTION CC RESOLU 4.500 CC R-Factor 0.238 FT #SUB 466 471 SER B 469 474 GLN A Protein A 4 FT #SUB 469 474 GLN B 466 471 SER A Protein S 5 FT #SUB 469 474 GLN B 469 474 GLN A Protein S 1 FT #SUB 470 475 GLN B 473 478 ALA A Protein A 3 FT #SUB 473 478 ALA B 470 475 GLN A Protein S 4 FT #SUB 473 478 ALA B 473 478 ALA A Protein S 1 FT #SUB 473 478 ALA B 474 479 LYS A Protein B 4 FT #SUB 474 479 LYS B 473 478 ALA A Protein S 3 FT #SUB 474 479 LYS B 476 481 GLU A Protein S 5 FT #SUB 474 479 LYS B 477 482 PHE A Protein A 3 FT #SUB 476 481 GLU B 474 479 LYS A Protein S 5 FT #SUB 476 481 GLU B 635 640 MET A Protein S 4 FT #SUB 477 482 PHE B 474 479 LYS A Protein A 3 FT #SUB 477 482 PHE B 477 482 PHE A Protein A 11 FT #SUB 477 482 PHE B 478 483 PHE A Protein S 2 FT #SUB 477 482 PHE B 634 639 VAL A Protein S 3 FT #SUB 477 482 PHE B 635 640 MET A Protein S 3 FT #SUB 477 482 PHE B 638 643 GLN A Protein A 4 FT #SUB 477 482 PHE B 641 646 ARG A Protein S 2 FT #SUB 478 483 PHE B 477 482 PHE A Protein S 2 FT #SUB 480 485 LYS B 635 640 MET A Protein S 8 FT #SUB 480 485 LYS B 636 641 PHE A Protein S 3 FT #SUB 480 485 LYS B 638 643 GLN A Protein A 4 FT #SUB 481 486 SER B 638 643 GLN A Protein A 9 FT #SUB 481 486 SER B 642 647 GLN A Protein A 9 FT #SUB 484 489 LEU B 638 643 GLN A Protein S 4 FT #SUB 484 489 LEU B 639 644 GLY A Protein S 1 FT #SUB 484 489 LEU B 642 647 GLN A Protein S 6 FT #SUB 484 489 LEU B 643 648 LYS A Protein S 5 FT #SUB 485 490 ASP B 642 647 GLN A Protein S 8 FT #SUB 485 490 ASP B 646 651 TRP A Protein A 12 FT #SUB 488 493 ARG B 643 648 LYS A Protein S 10 FT #SUB 488 493 ARG B 646 651 TRP A Protein A 16 FT #SUB 488 493 ARG B 647 652 HIS A Protein S 2 FT #SUB 489 494 TYR B 646 651 TRP A Protein A 5 FT #SUB 492 497 GLN B 646 651 TRP A Protein S 5 FT #SUB 492 497 GLN B 649 654 LEU A Protein S 3 FT #SUB 492 497 GLN B 650 655 LYS A Protein S 7 FT #SUB 495 500 TYR B 650 655 LYS A Protein S 1 FT #SUB 495 500 TYR B 653 658 CYS A Protein B 4 FT #SUB 496 501 GLY B 650 655 LYS A Protein B 4 FT #SUB 496 501 GLY B 653 658 CYS A Protein B 5 FT #SUB 497 502 ILE B 649 654 LEU A Protein S 3 FT #SUB 634 639 VAL B 477 482 PHE A Protein A 4 FT #SUB 635 640 MET B 476 481 GLU A Protein S 1 FT #SUB 635 640 MET B 477 482 PHE A Protein A 3 FT #SUB 635 640 MET B 480 485 LYS A Protein A 7 FT #SUB 636 641 PHE B 480 485 LYS A Protein A 2 FT #SUB 638 643 GLN B 477 482 PHE A Protein S 5 FT #SUB 638 643 GLN B 480 485 LYS A Protein S 3 FT #SUB 638 643 GLN B 481 486 SER A Protein S 9 FT #SUB 638 643 GLN B 484 489 LEU A Protein S 2 FT #SUB 641 646 ARG B 477 482 PHE A Protein S 2 FT #SUB 641 646 ARG B 642 647 GLN A Protein B 1 FT #SUB 642 647 GLN B 481 486 SER A Protein S 9 FT #SUB 642 647 GLN B 484 489 LEU A Protein S 6 FT #SUB 642 647 GLN B 485 490 ASP A Protein S 8 FT #SUB 642 647 GLN B 641 646 ARG A Protein S 1 FT #SUB 643 648 LYS B 484 489 LEU A Protein S 4 FT #SUB 643 648 LYS B 488 493 ARG A Protein B 1 FT #SUB 645 650 ILE B 645 650 ILE A Protein S 2 FT #SUB 646 651 TRP B 485 490 ASP A Protein S 10 FT #SUB 646 651 TRP B 488 493 ARG A Protein S 8 FT #SUB 646 651 TRP B 489 494 TYR A Protein S 4 FT #SUB 646 651 TRP B 492 497 GLN A Protein S 5 FT #SUB 649 654 LEU B 492 497 GLN A Protein S 3 FT #SUB 649 654 LEU B 497 502 ILE A Protein S 2 FT #SUB 650 655 LYS B 492 497 GLN A Protein S 5 FT #SUB 650 655 LYS B 496 501 GLY A Protein S 5 FT #SUB 652 657 ALA B 652 657 ALA A Protein A 5 FT #SUB 652 657 ALA B 655 660 GLN A Protein B 1 FT #SUB 653 658 CYS B 495 500 TYR A Protein B 1 FT #SUB 653 658 CYS B 496 501 GLY A Protein S 3 FT #SUB 653 658 CYS B 497 502 ILE A Protein S 2 FT #SUB 655 660 GLN B 652 657 ALA A Protein S 1 FT #SUB 228 233 LYS B 223 228 PHE D Protein S 4 FT #SUB 243 248 MET B 178 183 GLY D Protein S 1 FT #SUB 243 248 MET B 179 184 THR D Protein S 5 FT #SUB 244 249 SER B 180 185 LEU D Protein S 2 FT #SUB 244 249 SER B 222 227 PRO D Protein A 6 FT #SUB 244 249 SER B 223 228 PHE D Protein B 2 FT #SUB 245 250 GLY B 221 226 GLN D Protein B 3 FT #SUB 245 250 GLY B 223 228 PHE D Protein B 6 FT #SUB 246 251 GLU B 223 228 PHE D Protein A 13 FT #SUB 247 252 VAL B 223 228 PHE D Protein A 3 FT #SUB 248 253 ARG B 176 181 PHE D Protein S 6 FT #SUB 397 402 SER B 21 26 PHE D Protein S 3 FT #SUB 398 403 LEU B 1 6 ASP D Protein S 1 FT #SUB 398 403 LEU B 21 26 PHE D Protein S 2 FT #SUB 400 405 ASP B 20 25 GLY D Protein S 1 FT #SUB 400 405 ASP B 21 26 PHE D Protein S 1 FT #SUB 403 408 ASN B 21 26 PHE D Protein S 7 FT #SUB 403 408 ASN B 22 27 GLY D Protein S 2 FT #SUB 406 411 VAL B 15 20 ARG D Protein B 2 FT #SUB 407 412 GLN B 15 20 ARG D Protein S 6 FT #SUB 407 412 GLN B 16 21 LEU D Protein A 5 FT #SUB 407 412 GLN B 17 22 GLY D Protein S 1 FT #SUB 407 412 GLN B 22 27 GLY D Protein S 3 FT #SUB 407 412 GLN B 23 28 ASN D Protein S 4 FT #SUB 408 413 ASP B 16 21 LEU D Protein B 1 FT #SUB 412 417 GLN B 568 573 HIS D Protein S 2 FT #SUB 569 574 ARG B 570 575 PRO D Protein S 2 FT #SUB 569 574 ARG B 571 576 SER D Protein S 1 FT #SUB 570 575 PRO B 570 575 PRO D Protein B 1 FT #SUB 571 576 SER B 571 576 SER D Protein B 4 FT #SUB 572 577 ASP B 571 576 SER D Protein A 8 FT #SUB 572 577 ASP B 572 577 ASP D Protein B 1 FT #SUB 573 578 HIS B 573 578 HIS D Protein B 4 FT #SUB 574 579 SER B 572 577 ASP D Protein S 1 FT #SUB 574 579 SER B 573 578 HIS D Protein S 8 FT #SUB 575 580 TYR B 571 576 SER D Protein A 6 FT #SUB 1 6 ASP B 589 594 VAL F Protein S 1 FT #SUB 15 20 ARG B 406 411 VAL F Protein S 3 FT #SUB 15 20 ARG B 407 412 GLN F Protein A 11 FT #SUB 15 20 ARG B 409 414 SER F Protein S 1 FT #SUB 16 21 LEU B 407 412 GLN F Protein B 8 FT #SUB 16 21 LEU B 408 413 ASP F Protein B 2 FT #SUB 17 22 GLY B 407 412 GLN F Protein B 1 FT #SUB 20 25 GLY B 400 405 ASP F Protein B 1 FT #SUB 21 26 PHE B 397 402 SER F Protein S 3 FT #SUB 21 26 PHE B 398 403 LEU F Protein S 2 FT #SUB 21 26 PHE B 400 405 ASP F Protein B 1 FT #SUB 21 26 PHE B 403 408 ASN F Protein A 9 FT #SUB 22 27 GLY B 403 408 ASN F Protein B 3 FT #SUB 22 27 GLY B 407 412 GLN F Protein B 7 FT #SUB 23 28 ASN B 407 412 GLN F Protein A 8 FT #SUB 24 29 VAL B 407 412 GLN F Protein B 1 FT #SUB 43 48 LEU B 397 402 SER F Protein S 1 FT #SUB 176 181 PHE B 248 253 ARG F Protein S 6 FT #SUB 178 183 GLY B 243 248 MET F Protein B 1 FT #SUB 179 184 THR B 243 248 MET F Protein A 4 FT #SUB 180 185 LEU B 244 249 SER F Protein A 3 FT #SUB 221 226 GLN B 245 250 GLY F Protein S 7 FT #SUB 222 227 PRO B 244 249 SER F Protein A 7 FT #SUB 222 227 PRO B 246 251 GLU F Protein B 1 FT #SUB 223 228 PHE B 244 249 SER F Protein B 1 FT #SUB 223 228 PHE B 245 250 GLY F Protein S 6 FT #SUB 223 228 PHE B 246 251 GLU F Protein A 8 FT #SUB 223 228 PHE B 247 252 VAL F Protein S 2 FT #SUB 568 573 HIS B 412 417 GLN F Protein S 2 FT #SUB 570 575 PRO B 569 574 ARG F Protein S 2 FT #SUB 570 575 PRO B 570 575 PRO F Protein A 2 FT #SUB 571 576 SER B 571 576 SER F Protein S 4 FT #SUB 571 576 SER B 572 577 ASP F Protein S 9 FT #SUB 571 576 SER B 574 579 SER F Protein B 4 FT #SUB 571 576 SER B 575 580 TYR F Protein A 9 FT #SUB 572 577 ASP B 574 579 SER F Protein A 12 FT #SUB 573 578 HIS B 573 578 HIS F Protein S 6 FT #SUB 573 578 HIS B 574 579 SER F Protein A 4 FT #HET 16 21 LEU B 102 701 5TL B S 14 FT #HET 18 23 THR B 102 701 5TL B A 5 FT #HET 24 29 VAL B 102 701 5TL B S 3 FT #HET 37 42 ALA B 102 701 5TL B S 2 FT #HET 90 95 MET B 102 701 5TL B S 5 FT #HET 91 96 GLU B 102 701 5TL B B 3 FT #HET 92 97 TYR B 102 701 5TL B A 6 FT #HET 93 98 CYS B 102 701 5TL B B 2 FT #HET 96 101 GLY B 102 701 5TL B B 2 FT #HET 97 102 ASP B 102 701 5TL B A 12 FT #HET 104 109 LYS B 16 3 PDX P S 5 FT #HET 106 111 GLU B 16 3 PDX P S 1 FT #HET 146 151 VAL B 102 701 5TL B S 3 FT #HET 159 164 ILE B 102 701 5TL B S 3 FT #HET 160 165 ASP B 102 701 5TL B S 10 FT #HET 444 449 ARG B 7 1 5LS O S 18 FT #HET 540 545 GLN B 7 1 5LS O S 1 FT #HET 540 545 GLN B 9 3 5TM O S 1 FT #HET 541 546 LYS B 9 3 5TM O A 4 FT #HET 544 549 TYR B 7 1 5LS O S 4 FT #HET 547 552 ARG B 7 1 5LS O S 3 FT #HET 551 556 LEU B 18 2 GLC Q S 1 FT #HET 558 563 ARG B 17 1 5LS Q S 8 FT #HET 564 569 LYS B 15 2 GLC P S 2 FT #HET 586 591 VAL B 19 3 PDX Q S 3 FT #HET 587 592 HIS B 17 1 5LS Q S 10 FT #HET 590 595 GLN B 18 2 GLC Q A 8 FT #HET 590 595 GLN B 19 3 PDX Q S 10 FT #HET 591 596 SER B 18 2 GLC Q A 7 FT #HET 594 599 ARG B 18 2 GLC Q S 5 CC SEQUENCE 655 AA (ATOM); CC DPEFGAGGPW EMRERLGTGG FGNVCLYQHR ELDLKIAIKS CRLELSTKNR ERWCHEIQIM CC KKLNHANVVK ACDVPEELNI LIHDVPLLAM EYCSGGDLRK LLNKPENCCG LKESQILSLL CC SDIGSGIRYL HENKIIHRDL KPENIVLQDV GGKIIHKIID LGYAKDVDQG ELCTEFVGTL CC QYLAPELFEN KPYTATVDYW SFGTMVFECI AGYRPFLHHL QPFTWHEKIK KKDPKCIFAC CC EEMSGEVRFS SHLPQPNSLC SLIVEPMENW LQLMLNWDPQ QRGGPVDLTL KQPRCFVLMD CC HILNLKIVHI LNMTSAKIIS FLLPPDESLH SLQSRIERET GINTGSQELL SETGISLDPR CC KPASQCVLDG VRGCDSYMVY LFDKSKTVYE GPFASRSLSD CVNYIVQDSK IQLPIIQLRK CC VWAEAVHYVS GLKEDYSRLF QGQRAAMLSL LRYNANLTKM KNTLISASQQ LKAKLEFFHK CC SIQLDLERYS EQMTYGISSE KMLKAWKEME EKAIHYAEVG VIGYLEDQIM SLHAEIMELQ CC KSPYGRRQGD LMESLEQRAI DLYKQLKHRP SDHSYSDSTE MVKIIVHTVQ SQDRVLKELF CC GHLSKLLGCK QKIIDLLPKV EVALSNIKEA DNTVMFMQGK RQKEIWHLLK IACTQ CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES DPEFGAGGPWEMRERLGTGGFGNVCLYQHRELDLKIAIKSCRLELSTKNR CC ATOM DPEFGAGGPWEMRERLGTGGFGNVCLYQHRELDLKIAIKSCRLELSTKNR CC ************************************************** CC SEQRES ERWCHEIQIMKKLNHANVVKACDVPEELNILIHDVPLLAMEYCSGGDLRK CC ATOM ERWCHEIQIMKKLNHANVVKACDVPEELNILIHDVPLLAMEYCSGGDLRK CC ************************************************** CC SEQRES LLNKPENCCGLKESQILSLLSDIGSGIRYLHENKIIHRDLKPENIVLQDV CC ATOM LLNKPENCCGLKESQILSLLSDIGSGIRYLHENKIIHRDLKPENIVLQDV CC ************************************************** CC SEQRES GGKIIHKIIDLGYAKDVDQGELCTEFVGTLQYLAPELFENKPYTATVDYW CC ATOM GGKIIHKIIDLGYAKDVDQGELCTEFVGTLQYLAPELFENKPYTATVDYW CC ************************************************** CC SEQRES SFGTMVFECIAGYRPFLHHLQPFTWHEKIKKKDPKCIFACEEMSGEVRFS CC ATOM SFGTMVFECIAGYRPFLHHLQPFTWHEKIKKKDPKCIFACEEMSGEVRFS CC ************************************************** CC SEQRES SHLPQPNSLCSLIVEPMENWLQLMLNWDPQQRGGPVDLTLKQPRCFVLMD CC ATOM SHLPQPNSLCSLIVEPMENWLQLMLNWDPQQRGGPVDLTLKQPRCFVLMD CC ************************************************** CC SEQRES HILNLKIVHILNMTSAKIISFLLPPDESLHSLQSRIERETGINTGSQELL CC ATOM HILNLKIVHILNMTSAKIISFLLPPDESLHSLQSRIERETGINTGSQELL CC ************************************************** CC SEQRES SETGISLDPRKPASQCVLDGVRGCDSYMVYLFDKSKTVYEGPFASRSLSD CC ATOM SETGISLDPRKPASQCVLDGVRGCDSYMVYLFDKSKTVYEGPFASRSLSD CC ************************************************** CC SEQRES CVNYIVQDSKIQLPIIQLRKVWAEAVHYVSGLKEDYSRLFQGQRAAMLSL CC ATOM CVNYIVQDSKIQLPIIQLRKVWAEAVHYVSGLKEDYSRLFQGQRAAMLSL CC ************************************************** CC SEQRES LRYNANLTKMKNTLISASQQLKAKLEFFHKSIQLDLERYSEQMTYGISSE CC ATOM LRYNANLTKMKNTLISASQQLKAKLEFFHKSIQLDLERYSEQMTYGISSE CC ************************************************** CC SEQRES KMLKAWKEMEEKAIHYAEVGVIGYLEDQIMSLHAEIMELQKSPYGRRQGD CC ATOM KMLKAWKEMEEKAIHYAEVGVIGYLEDQIMSLHAEIMELQKSPYGRRQGD CC ************************************************** CC SEQRES LMESLEQRAIDLYKQLKHRPSDHSYSDSTEMVKIIVHTVQSQDRVLKELF CC ATOM LMESLEQRAIDLYKQLKHRPSDHSYSDSTEMVKIIVHTVQSQDRVLKELF CC ************************************************** CC SEQRES GHLSKLLGCKQKIIDLLPKVEVALSNIKEADNTVMFMQGKRQKEIWHLLK CC ATOM GHLSKLLGCKQKIIDLLPKVEVALSNIKEADNTVMFMQGKRQKEIWHLLK CC ************************************************** CC SEQRES IACTQ CC ATOM IACTQ CC ***** SQ SEQUENCE 655 AA; MW; CN; DPEFGAGGPW EMRERLGTGG FGNVCLYQHR ELDLKIAIKS CRLELSTKNR ERWCHEIQIM KKLNHANVVK ACDVPEELNI LIHDVPLLAM EYCSGGDLRK LLNKPENCCG LKESQILSLL SDIGSGIRYL HENKIIHRDL KPENIVLQDV GGKIIHKIID LGYAKDVDQG ELCTEFVGTL QYLAPELFEN KPYTATVDYW SFGTMVFECI AGYRPFLHHL QPFTWHEKIK KKDPKCIFAC EEMSGEVRFS SHLPQPNSLC SLIVEPMENW LQLMLNWDPQ QRGGPVDLTL KQPRCFVLMD HILNLKIVHI LNMTSAKIIS FLLPPDESLH SLQSRIERET GINTGSQELL SETGISLDPR KPASQCVLDG VRGCDSYMVY LFDKSKTVYE GPFASRSLSD CVNYIVQDSK IQLPIIQLRK VWAEAVHYVS GLKEDYSRLF QGQRAAMLSL LRYNANLTKM KNTLISASQQ LKAKLEFFHK SIQLDLERYS EQMTYGISSE KMLKAWKEME EKAIHYAEVG VIGYLEDQIM SLHAEIMELQ KSPYGRRQGD LMESLEQRAI DLYKQLKHRP SDHSYSDSTE MVKIIVHTVQ SQDRVLKELF GHLSKLLGCK QKIIDLLPKV EVALSNIKEA DNTVMFMQGK RQKEIWHLLK IACTQ // ID 5EBZC STANDARD; PRT; 655 AA. DT CONVERTED FROM PDB (SEQRES) 5EBZ DE Inhibitor of nuclear factor kappa-B kinase subunit alpha OS Homo sapiens CC EXPDTA X-RAY DIFFRACTION CC RESOLU 4.500 CC R-Factor 0.238 FT #SUB 228 233 LYS C 223 228 PHE A Protein S 4 FT #SUB 241 246 GLU C 221 226 GLN A Protein S 1 FT #SUB 243 248 MET C 178 183 GLY A Protein S 1 FT #SUB 243 248 MET C 179 184 THR A Protein S 5 FT #SUB 244 249 SER C 180 185 LEU A Protein S 2 FT #SUB 244 249 SER C 222 227 PRO A Protein A 8 FT #SUB 244 249 SER C 223 228 PHE A Protein B 2 FT #SUB 245 250 GLY C 221 226 GLN A Protein B 4 FT #SUB 245 250 GLY C 223 228 PHE A Protein B 5 FT #SUB 246 251 GLU C 223 228 PHE A Protein A 9 FT #SUB 248 253 ARG C 176 181 PHE A Protein S 10 FT #SUB 397 402 SER C 21 26 PHE A Protein S 1 FT #SUB 398 403 LEU C 21 26 PHE A Protein S 2 FT #SUB 403 408 ASN C 20 25 GLY A Protein S 1 FT #SUB 403 408 ASN C 21 26 PHE A Protein S 8 FT #SUB 403 408 ASN C 22 27 GLY A Protein S 1 FT #SUB 406 411 VAL C 15 20 ARG A Protein B 2 FT #SUB 407 412 GLN C 15 20 ARG A Protein A 5 FT #SUB 407 412 GLN C 16 21 LEU A Protein A 6 FT #SUB 407 412 GLN C 17 22 GLY A Protein S 1 FT #SUB 407 412 GLN C 22 27 GLY A Protein S 6 FT #SUB 407 412 GLN C 23 28 ASN A Protein S 8 FT #SUB 408 413 ASP C 16 21 LEU A Protein B 1 FT #SUB 409 414 SER C 15 20 ARG A Protein S 1 FT #SUB 412 417 GLN C 568 573 HIS A Protein S 2 FT #SUB 569 574 ARG C 570 575 PRO A Protein S 1 FT #SUB 570 575 PRO C 570 575 PRO A Protein B 3 FT #SUB 570 575 PRO C 571 576 SER A Protein B 1 FT #SUB 571 576 SER C 571 576 SER A Protein B 4 FT #SUB 572 577 ASP C 571 576 SER A Protein B 8 FT #SUB 573 578 HIS C 573 578 HIS A Protein B 4 FT #SUB 574 579 SER C 571 576 SER A Protein S 1 FT #SUB 574 579 SER C 572 577 ASP A Protein S 9 FT #SUB 574 579 SER C 573 578 HIS A Protein A 14 FT #SUB 575 580 TYR C 571 576 SER A Protein A 6 FT #SUB 466 471 SER C 469 474 GLN D Protein A 5 FT #SUB 469 474 GLN C 466 471 SER D Protein S 4 FT #SUB 469 474 GLN C 469 474 GLN D Protein S 1 FT #SUB 469 474 GLN C 470 475 GLN D Protein S 1 FT #SUB 470 475 GLN C 469 474 GLN D Protein S 1 FT #SUB 470 475 GLN C 473 478 ALA D Protein A 4 FT #SUB 473 478 ALA C 470 475 GLN D Protein S 3 FT #SUB 473 478 ALA C 473 478 ALA D Protein S 1 FT #SUB 473 478 ALA C 474 479 LYS D Protein B 4 FT #SUB 474 479 LYS C 473 478 ALA D Protein S 4 FT #SUB 474 479 LYS C 476 481 GLU D Protein S 5 FT #SUB 474 479 LYS C 477 482 PHE D Protein A 3 FT #SUB 476 481 GLU C 474 479 LYS D Protein S 4 FT #SUB 476 481 GLU C 635 640 MET D Protein S 1 FT #SUB 477 482 PHE C 474 479 LYS D Protein A 2 FT #SUB 477 482 PHE C 477 482 PHE D Protein A 8 FT #SUB 477 482 PHE C 634 639 VAL D Protein S 3 FT #SUB 477 482 PHE C 635 640 MET D Protein S 5 FT #SUB 477 482 PHE C 638 643 GLN D Protein A 5 FT #SUB 477 482 PHE C 641 646 ARG D Protein S 2 FT #SUB 478 483 PHE C 477 482 PHE D Protein S 2 FT #SUB 480 485 LYS C 635 640 MET D Protein S 5 FT #SUB 480 485 LYS C 636 641 PHE D Protein S 2 FT #SUB 480 485 LYS C 638 643 GLN D Protein S 3 FT #SUB 481 486 SER C 638 643 GLN D Protein S 8 FT #SUB 481 486 SER C 642 647 GLN D Protein A 9 FT #SUB 484 489 LEU C 638 643 GLN D Protein S 1 FT #SUB 484 489 LEU C 642 647 GLN D Protein S 6 FT #SUB 484 489 LEU C 643 648 LYS D Protein S 3 FT #SUB 485 490 ASP C 642 647 GLN D Protein S 5 FT #SUB 485 490 ASP C 646 651 TRP D Protein A 12 FT #SUB 488 493 ARG C 643 648 LYS D Protein S 1 FT #SUB 488 493 ARG C 646 651 TRP D Protein A 9 FT #SUB 489 494 TYR C 646 651 TRP D Protein A 4 FT #SUB 492 497 GLN C 646 651 TRP D Protein S 6 FT #SUB 492 497 GLN C 649 654 LEU D Protein S 3 FT #SUB 492 497 GLN C 650 655 LYS D Protein S 5 FT #SUB 495 500 TYR C 653 658 CYS D Protein B 2 FT #SUB 496 501 GLY C 650 655 LYS D Protein B 6 FT #SUB 496 501 GLY C 653 658 CYS D Protein B 6 FT #SUB 497 502 ILE C 649 654 LEU D Protein S 3 FT #SUB 497 502 ILE C 653 658 CYS D Protein S 1 FT #SUB 634 639 VAL C 477 482 PHE D Protein B 3 FT #SUB 635 640 MET C 476 481 GLU D Protein S 2 FT #SUB 635 640 MET C 477 482 PHE D Protein A 3 FT #SUB 635 640 MET C 480 485 LYS D Protein A 10 FT #SUB 636 641 PHE C 480 485 LYS D Protein A 3 FT #SUB 638 643 GLN C 477 482 PHE D Protein S 3 FT #SUB 638 643 GLN C 480 485 LYS D Protein S 4 FT #SUB 638 643 GLN C 481 486 SER D Protein S 9 FT #SUB 638 643 GLN C 484 489 LEU D Protein A 3 FT #SUB 641 646 ARG C 477 482 PHE D Protein S 2 FT #SUB 641 646 ARG C 642 647 GLN D Protein B 1 FT #SUB 642 647 GLN C 481 486 SER D Protein S 9 FT #SUB 642 647 GLN C 484 489 LEU D Protein S 6 FT #SUB 642 647 GLN C 485 490 ASP D Protein S 8 FT #SUB 642 647 GLN C 641 646 ARG D Protein S 1 FT #SUB 643 648 LYS C 484 489 LEU D Protein S 3 FT #SUB 643 648 LYS C 488 493 ARG D Protein A 9 FT #SUB 645 650 ILE C 645 650 ILE D Protein S 2 FT #SUB 646 651 TRP C 485 490 ASP D Protein S 9 FT #SUB 646 651 TRP C 488 493 ARG D Protein S 10 FT #SUB 646 651 TRP C 489 494 TYR D Protein S 4 FT #SUB 646 651 TRP C 492 497 GLN D Protein S 6 FT #SUB 647 652 HIS C 488 493 ARG D Protein A 2 FT #SUB 649 654 LEU C 492 497 GLN D Protein S 3 FT #SUB 649 654 LEU C 649 654 LEU D Protein S 1 FT #SUB 650 655 LYS C 492 497 GLN D Protein S 5 FT #SUB 652 657 ALA C 652 657 ALA D Protein A 3 FT #SUB 652 657 ALA C 655 660 GLN D Protein B 1 FT #SUB 653 658 CYS C 495 500 TYR D Protein A 2 FT #SUB 653 658 CYS C 496 501 GLY D Protein S 3 FT #SUB 653 658 CYS C 497 502 ILE D Protein S 1 FT #SUB 655 660 GLN C 652 657 ALA D Protein S 1 FT #SUB 15 20 ARG C 406 411 VAL E Protein S 2 FT #SUB 15 20 ARG C 407 412 GLN E Protein S 5 FT #SUB 16 21 LEU C 407 412 GLN E Protein B 6 FT #SUB 16 21 LEU C 408 413 ASP E Protein B 1 FT #SUB 17 22 GLY C 407 412 GLN E Protein B 1 FT #SUB 21 26 PHE C 397 402 SER E Protein S 3 FT #SUB 21 26 PHE C 398 403 LEU E Protein S 2 FT #SUB 21 26 PHE C 403 408 ASN E Protein A 8 FT #SUB 22 27 GLY C 403 408 ASN E Protein B 1 FT #SUB 22 27 GLY C 407 412 GLN E Protein B 6 FT #SUB 23 28 ASN C 407 412 GLN E Protein A 7 FT #SUB 176 181 PHE C 248 253 ARG E Protein S 5 FT #SUB 178 183 GLY C 243 248 MET E Protein B 1 FT #SUB 179 184 THR C 243 248 MET E Protein A 5 FT #SUB 180 185 LEU C 244 249 SER E Protein B 2 FT #SUB 221 226 GLN C 245 250 GLY E Protein S 2 FT #SUB 222 227 PRO C 244 249 SER E Protein S 4 FT #SUB 223 228 PHE C 228 233 LYS E Protein S 2 FT #SUB 223 228 PHE C 244 249 SER E Protein B 1 FT #SUB 223 228 PHE C 245 250 GLY E Protein S 6 FT #SUB 223 228 PHE C 246 251 GLU E Protein A 10 FT #SUB 223 228 PHE C 247 252 VAL E Protein S 3 FT #SUB 568 573 HIS C 412 417 GLN E Protein S 2 FT #SUB 570 575 PRO C 569 574 ARG E Protein S 1 FT #SUB 570 575 PRO C 570 575 PRO E Protein B 1 FT #SUB 571 576 SER C 569 574 ARG E Protein S 1 FT #SUB 571 576 SER C 570 575 PRO E Protein S 2 FT #SUB 571 576 SER C 571 576 SER E Protein S 6 FT #SUB 571 576 SER C 572 577 ASP E Protein S 6 FT #SUB 571 576 SER C 575 580 TYR E Protein A 8 FT #SUB 572 577 ASP C 572 577 ASP E Protein B 1 FT #SUB 572 577 ASP C 574 579 SER E Protein A 11 FT #SUB 573 578 HIS C 573 578 HIS E Protein S 5 FT #SUB 573 578 HIS C 574 579 SER E Protein A 10 FT #SUB 58 63 GLN C 344 349 THR H Protein S 7 FT #SUB 169 174 GLN C 330 335 HIS H Protein S 2 FT #SUB 169 174 GLN C 333 338 GLN H Protein S 1 FT #SUB 169 174 GLN C 344 349 THR H Protein S 1 FT #SUB 169 174 GLN C 345 350 GLY H Protein S 2 FT #HET 16 21 LEU C 103 701 5TL C S 15 FT #HET 17 22 GLY C 103 701 5TL C B 2 FT #HET 18 23 THR C 103 701 5TL C B 4 FT #HET 24 29 VAL C 103 701 5TL C S 4 FT #HET 90 95 MET C 103 701 5TL C S 2 FT #HET 91 96 GLU C 103 701 5TL C B 4 FT #HET 92 97 TYR C 103 701 5TL C A 9 FT #HET 93 98 CYS C 103 701 5TL C B 4 FT #HET 97 102 ASP C 103 701 5TL C A 5 FT #HET 100 105 LYS C 21 2 GLC R S 3 FT #HET 104 109 LYS C 21 2 GLC R S 7 FT #HET 104 109 LYS C 22 3 PDX R S 2 FT #HET 105 110 PRO C 22 3 PDX R S 1 FT #HET 106 111 GLU C 21 2 GLC R S 1 FT #HET 106 111 GLU C 22 3 PDX R S 5 FT #HET 146 151 VAL C 103 701 5TL C S 5 FT #HET 159 164 ILE C 103 701 5TL C S 7 FT #HET 160 165 ASP C 103 701 5TL C S 6 FT #HET 444 449 ARG C 30 5 Z4K T S 12 FT #HET 444 449 ARG C 31 6 5TK T S 2 FT #HET 540 545 GLN C 30 5 Z4K T A 5 FT #HET 544 549 TYR C 30 5 Z4K T S 18 FT #HET 547 552 ARG C 30 5 Z4K T S 1 FT #HET 557 562 GLN C 22 3 PDX R S 1 FT #HET 558 563 ARG C 23 1 5LS S S 10 FT #HET 583 588 LYS C 23 1 5LS S S 3 FT #HET 587 592 HIS C 23 1 5LS S S 9 FT #HET 587 592 HIS C 24 2 GLC S A 5 FT #HET 590 595 GLN C 24 2 GLC S A 10 FT #HET 591 596 SER C 24 2 GLC S A 3 FT #HET 594 599 ARG C 24 2 GLC S S 4 CC SEQUENCE 655 AA (ATOM); CC DPEFGAGGPW EMRERLGTGG FGNVCLYQHR ELDLKIAIKS CRLELSTKNR ERWCHEIQIM CC KKLNHANVVK ACDVPEELNI LIHDVPLLAM EYCSGGDLRK LLNKPENCCG LKESQILSLL CC SDIGSGIRYL HENKIIHRDL KPENIVLQDV GGKIIHKIID LGYAKDVDQG ELCTEFVGTL CC QYLAPELFEN KPYTATVDYW SFGTMVFECI AGYRPFLHHL QPFTWHEKIK KKDPKCIFAC CC EEMSGEVRFS SHLPQPNSLC SLIVEPMENW LQLMLNWDPQ QRGGPVDLTL KQPRCFVLMD CC HILNLKIVHI LNMTSAKIIS FLLPPDESLH SLQSRIERET GINTGSQELL SETGISLDPR CC KPASQCVLDG VRGCDSYMVY LFDKSKTVYE GPFASRSLSD CVNYIVQDSK IQLPIIQLRK CC VWAEAVHYVS GLKEDYSRLF QGQRAAMLSL LRYNANLTKM KNTLISASQQ LKAKLEFFHK CC SIQLDLERYS EQMTYGISSE KMLKAWKEME EKAIHYAEVG VIGYLEDQIM SLHAEIMELQ CC KSPYGRRQGD LMESLEQRAI DLYKQLKHRP SDHSYSDSTE MVKIIVHTVQ SQDRVLKELF CC GHLSKLLGCK QKIIDLLPKV EVALSNIKEA DNTVMFMQGK RQKEIWHLLK IACTQ CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES DPEFGAGGPWEMRERLGTGGFGNVCLYQHRELDLKIAIKSCRLELSTKNR CC ATOM DPEFGAGGPWEMRERLGTGGFGNVCLYQHRELDLKIAIKSCRLELSTKNR CC ************************************************** CC SEQRES ERWCHEIQIMKKLNHANVVKACDVPEELNILIHDVPLLAMEYCSGGDLRK CC ATOM ERWCHEIQIMKKLNHANVVKACDVPEELNILIHDVPLLAMEYCSGGDLRK CC ************************************************** CC SEQRES LLNKPENCCGLKESQILSLLSDIGSGIRYLHENKIIHRDLKPENIVLQDV CC ATOM LLNKPENCCGLKESQILSLLSDIGSGIRYLHENKIIHRDLKPENIVLQDV CC ************************************************** CC SEQRES GGKIIHKIIDLGYAKDVDQGELCTEFVGTLQYLAPELFENKPYTATVDYW CC ATOM GGKIIHKIIDLGYAKDVDQGELCTEFVGTLQYLAPELFENKPYTATVDYW CC ************************************************** CC SEQRES SFGTMVFECIAGYRPFLHHLQPFTWHEKIKKKDPKCIFACEEMSGEVRFS CC ATOM SFGTMVFECIAGYRPFLHHLQPFTWHEKIKKKDPKCIFACEEMSGEVRFS CC ************************************************** CC SEQRES SHLPQPNSLCSLIVEPMENWLQLMLNWDPQQRGGPVDLTLKQPRCFVLMD CC ATOM SHLPQPNSLCSLIVEPMENWLQLMLNWDPQQRGGPVDLTLKQPRCFVLMD CC ************************************************** CC SEQRES HILNLKIVHILNMTSAKIISFLLPPDESLHSLQSRIERETGINTGSQELL CC ATOM HILNLKIVHILNMTSAKIISFLLPPDESLHSLQSRIERETGINTGSQELL CC ************************************************** CC SEQRES SETGISLDPRKPASQCVLDGVRGCDSYMVYLFDKSKTVYEGPFASRSLSD CC ATOM SETGISLDPRKPASQCVLDGVRGCDSYMVYLFDKSKTVYEGPFASRSLSD CC ************************************************** CC SEQRES CVNYIVQDSKIQLPIIQLRKVWAEAVHYVSGLKEDYSRLFQGQRAAMLSL CC ATOM CVNYIVQDSKIQLPIIQLRKVWAEAVHYVSGLKEDYSRLFQGQRAAMLSL CC ************************************************** CC SEQRES LRYNANLTKMKNTLISASQQLKAKLEFFHKSIQLDLERYSEQMTYGISSE CC ATOM LRYNANLTKMKNTLISASQQLKAKLEFFHKSIQLDLERYSEQMTYGISSE CC ************************************************** CC SEQRES KMLKAWKEMEEKAIHYAEVGVIGYLEDQIMSLHAEIMELQKSPYGRRQGD CC ATOM KMLKAWKEMEEKAIHYAEVGVIGYLEDQIMSLHAEIMELQKSPYGRRQGD CC ************************************************** CC SEQRES LMESLEQRAIDLYKQLKHRPSDHSYSDSTEMVKIIVHTVQSQDRVLKELF CC ATOM LMESLEQRAIDLYKQLKHRPSDHSYSDSTEMVKIIVHTVQSQDRVLKELF CC ************************************************** CC SEQRES GHLSKLLGCKQKIIDLLPKVEVALSNIKEADNTVMFMQGKRQKEIWHLLK CC ATOM GHLSKLLGCKQKIIDLLPKVEVALSNIKEADNTVMFMQGKRQKEIWHLLK CC ************************************************** CC SEQRES IACTQ CC ATOM IACTQ CC ***** SQ SEQUENCE 655 AA; MW; CN; DPEFGAGGPW EMRERLGTGG FGNVCLYQHR ELDLKIAIKS CRLELSTKNR ERWCHEIQIM KKLNHANVVK ACDVPEELNI LIHDVPLLAM EYCSGGDLRK LLNKPENCCG LKESQILSLL SDIGSGIRYL HENKIIHRDL KPENIVLQDV GGKIIHKIID LGYAKDVDQG ELCTEFVGTL QYLAPELFEN KPYTATVDYW SFGTMVFECI AGYRPFLHHL QPFTWHEKIK KKDPKCIFAC EEMSGEVRFS SHLPQPNSLC SLIVEPMENW LQLMLNWDPQ QRGGPVDLTL KQPRCFVLMD HILNLKIVHI LNMTSAKIIS FLLPPDESLH SLQSRIERET GINTGSQELL SETGISLDPR KPASQCVLDG VRGCDSYMVY LFDKSKTVYE GPFASRSLSD CVNYIVQDSK IQLPIIQLRK VWAEAVHYVS GLKEDYSRLF QGQRAAMLSL LRYNANLTKM KNTLISASQQ LKAKLEFFHK SIQLDLERYS EQMTYGISSE KMLKAWKEME EKAIHYAEVG VIGYLEDQIM SLHAEIMELQ KSPYGRRQGD LMESLEQRAI DLYKQLKHRP SDHSYSDSTE MVKIIVHTVQ SQDRVLKELF GHLSKLLGCK QKIIDLLPKV EVALSNIKEA DNTVMFMQGK RQKEIWHLLK IACTQ // ID 5EBZD STANDARD; PRT; 655 AA. DT CONVERTED FROM PDB (SEQRES) 5EBZ DE Inhibitor of nuclear factor kappa-B kinase subunit alpha OS Homo sapiens CC EXPDTA X-RAY DIFFRACTION CC RESOLU 4.500 CC R-Factor 0.238 FT #SUB 1 6 ASP D 398 403 LEU B Protein S 1 FT #SUB 15 20 ARG D 406 411 VAL B Protein S 2 FT #SUB 15 20 ARG D 407 412 GLN B Protein S 6 FT #SUB 16 21 LEU D 407 412 GLN B Protein B 5 FT #SUB 16 21 LEU D 408 413 ASP B Protein B 1 FT #SUB 17 22 GLY D 407 412 GLN B Protein B 1 FT #SUB 20 25 GLY D 400 405 ASP B Protein B 1 FT #SUB 21 26 PHE D 397 402 SER B Protein S 3 FT #SUB 21 26 PHE D 398 403 LEU B Protein S 2 FT #SUB 21 26 PHE D 400 405 ASP B Protein B 1 FT #SUB 21 26 PHE D 403 408 ASN B Protein A 7 FT #SUB 22 27 GLY D 403 408 ASN B Protein B 2 FT #SUB 22 27 GLY D 407 412 GLN B Protein B 3 FT #SUB 23 28 ASN D 407 412 GLN B Protein A 4 FT #SUB 176 181 PHE D 248 253 ARG B Protein S 6 FT #SUB 178 183 GLY D 243 248 MET B Protein B 1 FT #SUB 179 184 THR D 243 248 MET B Protein A 5 FT #SUB 180 185 LEU D 244 249 SER B Protein A 2 FT #SUB 221 226 GLN D 245 250 GLY B Protein S 3 FT #SUB 222 227 PRO D 244 249 SER B Protein S 6 FT #SUB 223 228 PHE D 228 233 LYS B Protein S 4 FT #SUB 223 228 PHE D 244 249 SER B Protein A 2 FT #SUB 223 228 PHE D 245 250 GLY B Protein S 6 FT #SUB 223 228 PHE D 246 251 GLU B Protein A 13 FT #SUB 223 228 PHE D 247 252 VAL B Protein S 3 FT #SUB 568 573 HIS D 412 417 GLN B Protein S 2 FT #SUB 570 575 PRO D 569 574 ARG B Protein A 2 FT #SUB 570 575 PRO D 570 575 PRO B Protein B 1 FT #SUB 571 576 SER D 569 574 ARG B Protein S 1 FT #SUB 571 576 SER D 571 576 SER B Protein S 4 FT #SUB 571 576 SER D 572 577 ASP B Protein S 8 FT #SUB 571 576 SER D 575 580 TYR B Protein A 6 FT #SUB 572 577 ASP D 572 577 ASP B Protein B 1 FT #SUB 572 577 ASP D 574 579 SER B Protein B 1 FT #SUB 573 578 HIS D 573 578 HIS B Protein S 4 FT #SUB 573 578 HIS D 574 579 SER B Protein S 8 FT #SUB 466 471 SER D 469 474 GLN C Protein A 4 FT #SUB 469 474 GLN D 466 471 SER C Protein S 5 FT #SUB 469 474 GLN D 469 474 GLN C Protein S 1 FT #SUB 469 474 GLN D 470 475 GLN C Protein S 1 FT #SUB 470 475 GLN D 469 474 GLN C Protein S 1 FT #SUB 470 475 GLN D 473 478 ALA C Protein A 3 FT #SUB 473 478 ALA D 470 475 GLN C Protein S 4 FT #SUB 473 478 ALA D 473 478 ALA C Protein S 1 FT #SUB 473 478 ALA D 474 479 LYS C Protein B 4 FT #SUB 474 479 LYS D 473 478 ALA C Protein S 4 FT #SUB 474 479 LYS D 476 481 GLU C Protein S 4 FT #SUB 474 479 LYS D 477 482 PHE C Protein S 2 FT #SUB 476 481 GLU D 474 479 LYS C Protein S 5 FT #SUB 476 481 GLU D 635 640 MET C Protein S 2 FT #SUB 477 482 PHE D 474 479 LYS C Protein A 3 FT #SUB 477 482 PHE D 477 482 PHE C Protein A 8 FT #SUB 477 482 PHE D 478 483 PHE C Protein S 2 FT #SUB 477 482 PHE D 634 639 VAL C Protein S 3 FT #SUB 477 482 PHE D 635 640 MET C Protein S 3 FT #SUB 477 482 PHE D 638 643 GLN C Protein A 3 FT #SUB 477 482 PHE D 641 646 ARG C Protein S 2 FT #SUB 480 485 LYS D 635 640 MET C Protein S 10 FT #SUB 480 485 LYS D 636 641 PHE C Protein S 3 FT #SUB 480 485 LYS D 638 643 GLN C Protein A 4 FT #SUB 481 486 SER D 638 643 GLN C Protein A 9 FT #SUB 481 486 SER D 642 647 GLN C Protein A 9 FT #SUB 484 489 LEU D 638 643 GLN C Protein S 3 FT #SUB 484 489 LEU D 642 647 GLN C Protein S 6 FT #SUB 484 489 LEU D 643 648 LYS C Protein S 3 FT #SUB 485 490 ASP D 642 647 GLN C Protein S 8 FT #SUB 485 490 ASP D 646 651 TRP C Protein A 9 FT #SUB 488 493 ARG D 643 648 LYS C Protein S 9 FT #SUB 488 493 ARG D 646 651 TRP C Protein A 10 FT #SUB 488 493 ARG D 647 652 HIS C Protein S 2 FT #SUB 489 494 TYR D 646 651 TRP C Protein A 4 FT #SUB 492 497 GLN D 646 651 TRP C Protein S 6 FT #SUB 492 497 GLN D 649 654 LEU C Protein S 3 FT #SUB 492 497 GLN D 650 655 LYS C Protein S 5 FT #SUB 495 500 TYR D 653 658 CYS C Protein B 2 FT #SUB 496 501 GLY D 653 658 CYS C Protein B 3 FT #SUB 497 502 ILE D 653 658 CYS C Protein S 1 FT #SUB 634 639 VAL D 477 482 PHE C Protein B 3 FT #SUB 635 640 MET D 476 481 GLU C Protein S 1 FT #SUB 635 640 MET D 477 482 PHE C Protein A 5 FT #SUB 635 640 MET D 480 485 LYS C Protein A 5 FT #SUB 636 641 PHE D 480 485 LYS C Protein A 2 FT #SUB 638 643 GLN D 477 482 PHE C Protein S 5 FT #SUB 638 643 GLN D 480 485 LYS C Protein S 3 FT #SUB 638 643 GLN D 481 486 SER C Protein S 8 FT #SUB 638 643 GLN D 484 489 LEU C Protein S 1 FT #SUB 641 646 ARG D 477 482 PHE C Protein S 2 FT #SUB 641 646 ARG D 642 647 GLN C Protein B 1 FT #SUB 642 647 GLN D 481 486 SER C Protein S 9 FT #SUB 642 647 GLN D 484 489 LEU C Protein S 6 FT #SUB 642 647 GLN D 485 490 ASP C Protein S 5 FT #SUB 642 647 GLN D 641 646 ARG C Protein S 1 FT #SUB 643 648 LYS D 484 489 LEU C Protein S 3 FT #SUB 643 648 LYS D 488 493 ARG C Protein B 1 FT #SUB 645 650 ILE D 645 650 ILE C Protein S 2 FT #SUB 646 651 TRP D 485 490 ASP C Protein S 12 FT #SUB 646 651 TRP D 488 493 ARG C Protein S 9 FT #SUB 646 651 TRP D 489 494 TYR C Protein S 4 FT #SUB 646 651 TRP D 492 497 GLN C Protein S 6 FT #SUB 649 654 LEU D 492 497 GLN C Protein S 3 FT #SUB 649 654 LEU D 497 502 ILE C Protein S 3 FT #SUB 649 654 LEU D 649 654 LEU C Protein S 1 FT #SUB 650 655 LYS D 492 497 GLN C Protein S 5 FT #SUB 650 655 LYS D 496 501 GLY C Protein S 6 FT #SUB 652 657 ALA D 652 657 ALA C Protein A 3 FT #SUB 652 657 ALA D 655 660 GLN C Protein B 1 FT #SUB 653 658 CYS D 495 500 TYR C Protein A 2 FT #SUB 653 658 CYS D 496 501 GLY C Protein S 6 FT #SUB 653 658 CYS D 497 502 ILE C Protein S 1 FT #SUB 655 660 GLN D 652 657 ALA C Protein S 1 FT #SUB 228 233 LYS D 223 228 PHE F Protein S 4 FT #SUB 243 248 MET D 178 183 GLY F Protein S 1 FT #SUB 243 248 MET D 179 184 THR F Protein A 9 FT #SUB 243 248 MET D 221 226 GLN F Protein B 1 FT #SUB 244 249 SER D 179 184 THR F Protein A 9 FT #SUB 244 249 SER D 222 227 PRO F Protein A 7 FT #SUB 244 249 SER D 223 228 PHE F Protein B 2 FT #SUB 245 250 GLY D 221 226 GLN F Protein B 6 FT #SUB 245 250 GLY D 223 228 PHE F Protein B 7 FT #SUB 246 251 GLU D 222 227 PRO F Protein S 2 FT #SUB 246 251 GLU D 223 228 PHE F Protein A 6 FT #SUB 247 252 VAL D 223 228 PHE F Protein S 1 FT #SUB 248 253 ARG D 176 181 PHE F Protein S 6 FT #SUB 397 402 SER D 21 26 PHE F Protein S 1 FT #SUB 398 403 LEU D 21 26 PHE F Protein S 2 FT #SUB 400 405 ASP D 21 26 PHE F Protein S 1 FT #SUB 403 408 ASN D 21 26 PHE F Protein S 9 FT #SUB 403 408 ASN D 22 27 GLY F Protein S 2 FT #SUB 406 411 VAL D 15 20 ARG F Protein B 3 FT #SUB 407 412 GLN D 2 7 PRO F Protein S 3 FT #SUB 407 412 GLN D 15 20 ARG F Protein A 10 FT #SUB 407 412 GLN D 16 21 LEU F Protein A 6 FT #SUB 407 412 GLN D 22 27 GLY F Protein S 10 FT #SUB 407 412 GLN D 23 28 ASN F Protein S 5 FT #SUB 408 413 ASP D 16 21 LEU F Protein B 2 FT #SUB 409 414 SER D 15 20 ARG F Protein S 1 FT #SUB 416 421 ILE D 221 226 GLN F Protein S 1 FT #SUB 569 574 ARG D 570 575 PRO F Protein S 1 FT #SUB 569 574 ARG D 571 576 SER F Protein S 1 FT #SUB 570 575 PRO D 570 575 PRO F Protein B 1 FT #SUB 570 575 PRO D 571 576 SER F Protein B 2 FT #SUB 571 576 SER D 571 576 SER F Protein B 4 FT #SUB 572 577 ASP D 571 576 SER F Protein B 5 FT #SUB 572 577 ASP D 572 577 ASP F Protein B 1 FT #SUB 573 578 HIS D 573 578 HIS F Protein B 3 FT #SUB 574 579 SER D 572 577 ASP F Protein S 11 FT #SUB 575 580 TYR D 571 576 SER F Protein A 5 FT #SUB 589 594 VAL D 1 6 ASP F Protein S 1 FT #HET 16 21 LEU D 104 701 5TL D S 11 FT #HET 18 23 THR D 104 701 5TL D A 5 FT #HET 24 29 VAL D 104 701 5TL D S 3 FT #HET 37 42 ALA D 104 701 5TL D S 1 FT #HET 90 95 MET D 104 701 5TL D S 2 FT #HET 91 96 GLU D 104 701 5TL D B 4 FT #HET 92 97 TYR D 104 701 5TL D A 9 FT #HET 93 98 CYS D 104 701 5TL D B 2 FT #HET 94 99 SER D 33 1 5LS U B 2 FT #HET 96 101 GLY D 104 701 5TL D B 6 FT #HET 97 102 ASP D 104 701 5TL D A 20 FT #HET 100 105 LYS D 33 1 5LS U S 1 FT #HET 105 110 PRO D 35 3 PDX U S 3 FT #HET 106 111 GLU D 35 3 PDX U S 2 FT #HET 146 151 VAL D 104 701 5TL D S 6 FT #HET 159 164 ILE D 104 701 5TL D S 5 FT #HET 160 165 ASP D 104 701 5TL D S 5 FT #HET 408 413 ASP D 106 701 5TL F S 9 FT #HET 410 415 LYS D 39 1 5LS W S 3 FT #HET 410 415 LYS D 106 701 5TL F B 2 FT #HET 411 416 ILE D 106 701 5TL F A 7 FT #HET 440 445 PHE D 26 1 5LS T S 2 FT #HET 444 449 ARG D 26 1 5LS T S 7 FT #HET 540 545 GLN D 27 2 5TJ T B 4 FT #HET 541 546 LYS D 27 2 5TJ T A 7 FT #HET 544 549 TYR D 27 2 5TJ T S 1 FT #HET 547 552 ARG D 26 1 5LS T S 4 FT #HET 547 552 ARG D 27 2 5TJ T S 1 FT #HET 555 560 LEU D 37 2 GLC V S 1 FT #HET 558 563 ARG D 36 1 5LS V S 6 FT #HET 558 563 ARG D 37 2 GLC V S 8 FT #HET 583 588 LYS D 36 1 5LS V S 1 FT #HET 587 592 HIS D 36 1 5LS V S 6 FT #HET 587 592 HIS D 38 3 PDX V S 3 FT #HET 590 595 GLN D 38 3 PDX V S 2 FT #HET 594 599 ARG D 38 3 PDX V S 1 CC SEQUENCE 655 AA (ATOM); CC DPEFGAGGPW EMRERLGTGG FGNVCLYQHR ELDLKIAIKS CRLELSTKNR ERWCHEIQIM CC KKLNHANVVK ACDVPEELNI LIHDVPLLAM EYCSGGDLRK LLNKPENCCG LKESQILSLL CC SDIGSGIRYL HENKIIHRDL KPENIVLQDV GGKIIHKIID LGYAKDVDQG ELCTEFVGTL CC QYLAPELFEN KPYTATVDYW SFGTMVFECI AGYRPFLHHL QPFTWHEKIK KKDPKCIFAC CC EEMSGEVRFS SHLPQPNSLC SLIVEPMENW LQLMLNWDPQ QRGGPVDLTL KQPRCFVLMD CC HILNLKIVHI LNMTSAKIIS FLLPPDESLH SLQSRIERET GINTGSQELL SETGISLDPR CC KPASQCVLDG VRGCDSYMVY LFDKSKTVYE GPFASRSLSD CVNYIVQDSK IQLPIIQLRK CC VWAEAVHYVS GLKEDYSRLF QGQRAAMLSL LRYNANLTKM KNTLISASQQ LKAKLEFFHK CC SIQLDLERYS EQMTYGISSE KMLKAWKEME EKAIHYAEVG VIGYLEDQIM SLHAEIMELQ CC KSPYGRRQGD LMESLEQRAI DLYKQLKHRP SDHSYSDSTE MVKIIVHTVQ SQDRVLKELF CC GHLSKLLGCK QKIIDLLPKV EVALSNIKEA DNTVMFMQGK RQKEIWHLLK IACTQ CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES DPEFGAGGPWEMRERLGTGGFGNVCLYQHRELDLKIAIKSCRLELSTKNR CC ATOM DPEFGAGGPWEMRERLGTGGFGNVCLYQHRELDLKIAIKSCRLELSTKNR CC ************************************************** CC SEQRES ERWCHEIQIMKKLNHANVVKACDVPEELNILIHDVPLLAMEYCSGGDLRK CC ATOM ERWCHEIQIMKKLNHANVVKACDVPEELNILIHDVPLLAMEYCSGGDLRK CC ************************************************** CC SEQRES LLNKPENCCGLKESQILSLLSDIGSGIRYLHENKIIHRDLKPENIVLQDV CC ATOM LLNKPENCCGLKESQILSLLSDIGSGIRYLHENKIIHRDLKPENIVLQDV CC ************************************************** CC SEQRES GGKIIHKIIDLGYAKDVDQGELCTEFVGTLQYLAPELFENKPYTATVDYW CC ATOM GGKIIHKIIDLGYAKDVDQGELCTEFVGTLQYLAPELFENKPYTATVDYW CC ************************************************** CC SEQRES SFGTMVFECIAGYRPFLHHLQPFTWHEKIKKKDPKCIFACEEMSGEVRFS CC ATOM SFGTMVFECIAGYRPFLHHLQPFTWHEKIKKKDPKCIFACEEMSGEVRFS CC ************************************************** CC SEQRES SHLPQPNSLCSLIVEPMENWLQLMLNWDPQQRGGPVDLTLKQPRCFVLMD CC ATOM SHLPQPNSLCSLIVEPMENWLQLMLNWDPQQRGGPVDLTLKQPRCFVLMD CC ************************************************** CC SEQRES HILNLKIVHILNMTSAKIISFLLPPDESLHSLQSRIERETGINTGSQELL CC ATOM HILNLKIVHILNMTSAKIISFLLPPDESLHSLQSRIERETGINTGSQELL CC ************************************************** CC SEQRES SETGISLDPRKPASQCVLDGVRGCDSYMVYLFDKSKTVYEGPFASRSLSD CC ATOM SETGISLDPRKPASQCVLDGVRGCDSYMVYLFDKSKTVYEGPFASRSLSD CC ************************************************** CC SEQRES CVNYIVQDSKIQLPIIQLRKVWAEAVHYVSGLKEDYSRLFQGQRAAMLSL CC ATOM CVNYIVQDSKIQLPIIQLRKVWAEAVHYVSGLKEDYSRLFQGQRAAMLSL CC ************************************************** CC SEQRES LRYNANLTKMKNTLISASQQLKAKLEFFHKSIQLDLERYSEQMTYGISSE CC ATOM LRYNANLTKMKNTLISASQQLKAKLEFFHKSIQLDLERYSEQMTYGISSE CC ************************************************** CC SEQRES KMLKAWKEMEEKAIHYAEVGVIGYLEDQIMSLHAEIMELQKSPYGRRQGD CC ATOM KMLKAWKEMEEKAIHYAEVGVIGYLEDQIMSLHAEIMELQKSPYGRRQGD CC ************************************************** CC SEQRES LMESLEQRAIDLYKQLKHRPSDHSYSDSTEMVKIIVHTVQSQDRVLKELF CC ATOM LMESLEQRAIDLYKQLKHRPSDHSYSDSTEMVKIIVHTVQSQDRVLKELF CC ************************************************** CC SEQRES GHLSKLLGCKQKIIDLLPKVEVALSNIKEADNTVMFMQGKRQKEIWHLLK CC ATOM GHLSKLLGCKQKIIDLLPKVEVALSNIKEADNTVMFMQGKRQKEIWHLLK CC ************************************************** CC SEQRES IACTQ CC ATOM IACTQ CC ***** SQ SEQUENCE 655 AA; MW; CN; DPEFGAGGPW EMRERLGTGG FGNVCLYQHR ELDLKIAIKS CRLELSTKNR ERWCHEIQIM KKLNHANVVK ACDVPEELNI LIHDVPLLAM EYCSGGDLRK LLNKPENCCG LKESQILSLL SDIGSGIRYL HENKIIHRDL KPENIVLQDV GGKIIHKIID LGYAKDVDQG ELCTEFVGTL QYLAPELFEN KPYTATVDYW SFGTMVFECI AGYRPFLHHL QPFTWHEKIK KKDPKCIFAC EEMSGEVRFS SHLPQPNSLC SLIVEPMENW LQLMLNWDPQ QRGGPVDLTL KQPRCFVLMD HILNLKIVHI LNMTSAKIIS FLLPPDESLH SLQSRIERET GINTGSQELL SETGISLDPR KPASQCVLDG VRGCDSYMVY LFDKSKTVYE GPFASRSLSD CVNYIVQDSK IQLPIIQLRK VWAEAVHYVS GLKEDYSRLF QGQRAAMLSL LRYNANLTKM KNTLISASQQ LKAKLEFFHK SIQLDLERYS EQMTYGISSE KMLKAWKEME EKAIHYAEVG VIGYLEDQIM SLHAEIMELQ KSPYGRRQGD LMESLEQRAI DLYKQLKHRP SDHSYSDSTE MVKIIVHTVQ SQDRVLKELF GHLSKLLGCK QKIIDLLPKV EVALSNIKEA DNTVMFMQGK RQKEIWHLLK IACTQ // ID 5EBZE STANDARD; PRT; 655 AA. DT CONVERTED FROM PDB (SEQRES) 5EBZ DE Inhibitor of nuclear factor kappa-B kinase subunit alpha OS Homo sapiens CC EXPDTA X-RAY DIFFRACTION CC RESOLU 4.500 CC R-Factor 0.238 FT #SUB 15 20 ARG E 406 411 VAL A Protein S 3 FT #SUB 15 20 ARG E 407 412 GLN A Protein A 7 FT #SUB 15 20 ARG E 409 414 SER A Protein S 1 FT #SUB 16 21 LEU E 407 412 GLN A Protein B 6 FT #SUB 16 21 LEU E 408 413 ASP A Protein B 2 FT #SUB 17 22 GLY E 407 412 GLN A Protein B 1 FT #SUB 17 22 GLY E 408 413 ASP A Protein B 1 FT #SUB 21 26 PHE E 398 403 LEU A Protein S 2 FT #SUB 21 26 PHE E 400 405 ASP A Protein B 1 FT #SUB 21 26 PHE E 403 408 ASN A Protein A 10 FT #SUB 22 27 GLY E 403 408 ASN A Protein B 2 FT #SUB 22 27 GLY E 407 412 GLN A Protein B 9 FT #SUB 23 28 ASN E 407 412 GLN A Protein A 5 FT #SUB 176 181 PHE E 248 253 ARG A Protein S 6 FT #SUB 178 183 GLY E 243 248 MET A Protein B 1 FT #SUB 179 184 THR E 243 248 MET A Protein A 6 FT #SUB 180 185 LEU E 244 249 SER A Protein A 2 FT #SUB 221 226 GLN E 243 248 MET A Protein S 1 FT #SUB 221 226 GLN E 244 249 SER A Protein S 2 FT #SUB 221 226 GLN E 245 250 GLY A Protein S 5 FT #SUB 222 227 PRO E 244 249 SER A Protein A 9 FT #SUB 223 228 PHE E 228 233 LYS A Protein S 4 FT #SUB 223 228 PHE E 244 249 SER A Protein B 1 FT #SUB 223 228 PHE E 245 250 GLY A Protein S 3 FT #SUB 223 228 PHE E 246 251 GLU A Protein A 6 FT #SUB 568 573 HIS E 412 417 GLN A Protein S 2 FT #SUB 570 575 PRO E 569 574 ARG A Protein A 6 FT #SUB 570 575 PRO E 570 575 PRO A Protein B 2 FT #SUB 571 576 SER E 570 575 PRO A Protein S 3 FT #SUB 571 576 SER E 571 576 SER A Protein S 6 FT #SUB 571 576 SER E 572 577 ASP A Protein S 4 FT #SUB 571 576 SER E 575 580 TYR A Protein B 3 FT #SUB 572 577 ASP E 572 577 ASP A Protein B 1 FT #SUB 572 577 ASP E 574 579 SER A Protein A 11 FT #SUB 573 578 HIS E 573 578 HIS A Protein S 6 FT #SUB 573 578 HIS E 574 579 SER A Protein A 9 FT #SUB 228 233 LYS E 223 228 PHE C Protein S 2 FT #SUB 243 248 MET E 178 183 GLY C Protein S 1 FT #SUB 243 248 MET E 179 184 THR C Protein S 5 FT #SUB 244 249 SER E 180 185 LEU C Protein S 2 FT #SUB 244 249 SER E 222 227 PRO C Protein A 4 FT #SUB 244 249 SER E 223 228 PHE C Protein B 1 FT #SUB 245 250 GLY E 221 226 GLN C Protein B 2 FT #SUB 245 250 GLY E 223 228 PHE C Protein B 6 FT #SUB 246 251 GLU E 223 228 PHE C Protein A 10 FT #SUB 247 252 VAL E 223 228 PHE C Protein A 3 FT #SUB 248 253 ARG E 176 181 PHE C Protein S 5 FT #SUB 397 402 SER E 21 26 PHE C Protein S 3 FT #SUB 398 403 LEU E 21 26 PHE C Protein S 2 FT #SUB 403 408 ASN E 21 26 PHE C Protein S 8 FT #SUB 403 408 ASN E 22 27 GLY C Protein S 1 FT #SUB 406 411 VAL E 15 20 ARG C Protein B 2 FT #SUB 407 412 GLN E 15 20 ARG C Protein A 5 FT #SUB 407 412 GLN E 16 21 LEU C Protein A 6 FT #SUB 407 412 GLN E 17 22 GLY C Protein S 1 FT #SUB 407 412 GLN E 22 27 GLY C Protein S 6 FT #SUB 407 412 GLN E 23 28 ASN C Protein S 7 FT #SUB 408 413 ASP E 16 21 LEU C Protein B 1 FT #SUB 412 417 GLN E 568 573 HIS C Protein S 2 FT #SUB 569 574 ARG E 570 575 PRO C Protein S 1 FT #SUB 569 574 ARG E 571 576 SER C Protein S 1 FT #SUB 570 575 PRO E 570 575 PRO C Protein B 1 FT #SUB 570 575 PRO E 571 576 SER C Protein B 2 FT #SUB 571 576 SER E 571 576 SER C Protein A 6 FT #SUB 572 577 ASP E 571 576 SER C Protein B 6 FT #SUB 572 577 ASP E 572 577 ASP C Protein B 1 FT #SUB 573 578 HIS E 573 578 HIS C Protein B 5 FT #SUB 574 579 SER E 572 577 ASP C Protein S 11 FT #SUB 574 579 SER E 573 578 HIS C Protein S 10 FT #SUB 575 580 TYR E 571 576 SER C Protein A 8 FT #SUB 466 471 SER E 469 474 GLN F Protein A 4 FT #SUB 469 474 GLN E 466 471 SER F Protein S 6 FT #SUB 469 474 GLN E 469 474 GLN F Protein S 1 FT #SUB 470 475 GLN E 469 474 GLN F Protein S 1 FT #SUB 470 475 GLN E 473 478 ALA F Protein B 2 FT #SUB 473 478 ALA E 470 475 GLN F Protein S 5 FT #SUB 473 478 ALA E 473 478 ALA F Protein S 1 FT #SUB 473 478 ALA E 474 479 LYS F Protein B 3 FT #SUB 474 479 LYS E 473 478 ALA F Protein S 4 FT #SUB 474 479 LYS E 476 481 GLU F Protein S 5 FT #SUB 476 481 GLU E 474 479 LYS F Protein S 5 FT #SUB 476 481 GLU E 635 640 MET F Protein S 1 FT #SUB 477 482 PHE E 474 479 LYS F Protein A 5 FT #SUB 477 482 PHE E 477 482 PHE F Protein A 10 FT #SUB 477 482 PHE E 478 483 PHE F Protein S 2 FT #SUB 477 482 PHE E 634 639 VAL F Protein S 3 FT #SUB 477 482 PHE E 635 640 MET F Protein S 3 FT #SUB 477 482 PHE E 638 643 GLN F Protein A 3 FT #SUB 478 483 PHE E 477 482 PHE F Protein S 1 FT #SUB 480 485 LYS E 635 640 MET F Protein S 11 FT #SUB 480 485 LYS E 636 641 PHE F Protein S 3 FT #SUB 480 485 LYS E 638 643 GLN F Protein S 3 FT #SUB 481 486 SER E 638 643 GLN F Protein A 9 FT #SUB 481 486 SER E 642 647 GLN F Protein A 9 FT #SUB 484 489 LEU E 638 643 GLN F Protein S 3 FT #SUB 484 489 LEU E 639 644 GLY F Protein S 1 FT #SUB 484 489 LEU E 642 647 GLN F Protein S 6 FT #SUB 484 489 LEU E 643 648 LYS F Protein S 4 FT #SUB 485 490 ASP E 642 647 GLN F Protein S 9 FT #SUB 485 490 ASP E 646 651 TRP F Protein A 10 FT #SUB 488 493 ARG E 643 648 LYS F Protein S 11 FT #SUB 488 493 ARG E 646 651 TRP F Protein A 14 FT #SUB 488 493 ARG E 647 652 HIS F Protein S 2 FT #SUB 489 494 TYR E 646 651 TRP F Protein A 6 FT #SUB 492 497 GLN E 646 651 TRP F Protein S 6 FT #SUB 492 497 GLN E 649 654 LEU F Protein S 3 FT #SUB 492 497 GLN E 650 655 LYS F Protein A 7 FT #SUB 495 500 TYR E 650 655 LYS F Protein B 2 FT #SUB 496 501 GLY E 653 658 CYS F Protein B 3 FT #SUB 497 502 ILE E 649 654 LEU F Protein S 3 FT #SUB 497 502 ILE E 653 658 CYS F Protein A 3 FT #SUB 634 639 VAL E 477 482 PHE F Protein B 2 FT #SUB 635 640 MET E 476 481 GLU F Protein S 1 FT #SUB 635 640 MET E 477 482 PHE F Protein A 4 FT #SUB 635 640 MET E 480 485 LYS F Protein A 4 FT #SUB 638 643 GLN E 477 482 PHE F Protein S 6 FT #SUB 638 643 GLN E 480 485 LYS F Protein S 3 FT #SUB 638 643 GLN E 481 486 SER F Protein S 8 FT #SUB 638 643 GLN E 484 489 LEU F Protein S 1 FT #SUB 641 646 ARG E 477 482 PHE F Protein S 3 FT #SUB 641 646 ARG E 642 647 GLN F Protein B 1 FT #SUB 642 647 GLN E 481 486 SER F Protein S 9 FT #SUB 642 647 GLN E 484 489 LEU F Protein S 5 FT #SUB 642 647 GLN E 485 490 ASP F Protein S 4 FT #SUB 642 647 GLN E 641 646 ARG F Protein S 1 FT #SUB 643 648 LYS E 484 489 LEU F Protein S 3 FT #SUB 645 650 ILE E 645 650 ILE F Protein S 1 FT #SUB 646 651 TRP E 485 490 ASP F Protein S 7 FT #SUB 646 651 TRP E 488 493 ARG F Protein S 4 FT #SUB 646 651 TRP E 492 497 GLN F Protein S 3 FT #SUB 649 654 LEU E 497 502 ILE F Protein S 3 FT #SUB 649 654 LEU E 649 654 LEU F Protein S 1 FT #SUB 650 655 LYS E 492 497 GLN F Protein S 2 FT #SUB 652 657 ALA E 652 657 ALA F Protein A 5 FT #SUB 652 657 ALA E 655 660 GLN F Protein B 1 FT #SUB 653 658 CYS E 497 502 ILE F Protein S 2 FT #SUB 655 660 GLN E 652 657 ALA F Protein S 1 FT #SUB 655 660 GLN E 655 660 GLN F Protein A 2 FT #HET 16 21 LEU E 105 701 5TL E S 15 FT #HET 18 23 THR E 105 701 5TL E A 5 FT #HET 24 29 VAL E 105 701 5TL E S 3 FT #HET 37 42 ALA E 105 701 5TL E S 1 FT #HET 90 95 MET E 105 701 5TL E S 2 FT #HET 91 96 GLU E 105 701 5TL E B 4 FT #HET 92 97 TYR E 105 701 5TL E A 9 FT #HET 93 98 CYS E 105 701 5TL E B 4 FT #HET 96 101 GLY E 105 701 5TL E B 2 FT #HET 97 102 ASP E 105 701 5TL E A 8 FT #HET 100 105 LYS E 43 2 GLC X S 2 FT #HET 104 109 LYS E 43 2 GLC X S 8 FT #HET 105 110 PRO E 42 1 5LS X S 2 FT #HET 106 111 GLU E 43 2 GLC X S 1 FT #HET 146 151 VAL E 105 701 5TL E S 4 FT #HET 159 164 ILE E 105 701 5TL E S 4 FT #HET 160 165 ASP E 105 701 5TL E S 3 FT #HET 557 562 GLN E 44 3 PDX X S 6 FT #HET 558 563 ARG E 46 2 GLC Y S 9 FT #HET 564 569 LYS E 42 1 5LS X S 1 FT #HET 583 588 LYS E 46 2 GLC Y S 1 FT #HET 587 592 HIS E 45 1 5LS Y S 4 FT #HET 587 592 HIS E 46 2 GLC Y S 8 FT #HET 587 592 HIS E 47 3 PDX Y A 4 FT #HET 590 595 GLN E 47 3 PDX Y A 3 FT #HET 591 596 SER E 47 3 PDX Y A 4 FT #HET 594 599 ARG E 47 3 PDX Y S 3 CC SEQUENCE 655 AA (ATOM); CC DPEFGAGGPW EMRERLGTGG FGNVCLYQHR ELDLKIAIKS CRLELSTKNR ERWCHEIQIM CC KKLNHANVVK ACDVPEELNI LIHDVPLLAM EYCSGGDLRK LLNKPENCCG LKESQILSLL CC SDIGSGIRYL HENKIIHRDL KPENIVLQDV GGKIIHKIID LGYAKDVDQG ELCTEFVGTL CC QYLAPELFEN KPYTATVDYW SFGTMVFECI AGYRPFLHHL QPFTWHEKIK KKDPKCIFAC CC EEMSGEVRFS SHLPQPNSLC SLIVEPMENW LQLMLNWDPQ QRGGPVDLTL KQPRCFVLMD CC HILNLKIVHI LNMTSAKIIS FLLPPDESLH SLQSRIERET GINTGSQELL SETGISLDPR CC KPASQCVLDG VRGCDSYMVY LFDKSKTVYE GPFASRSLSD CVNYIVQDSK IQLPIIQLRK CC VWAEAVHYVS GLKEDYSRLF QGQRAAMLSL LRYNANLTKM KNTLISASQQ LKAKLEFFHK CC SIQLDLERYS EQMTYGISSE KMLKAWKEME EKAIHYAEVG VIGYLEDQIM SLHAEIMELQ CC KSPYGRRQGD LMESLEQRAI DLYKQLKHRP SDHSYSDSTE MVKIIVHTVQ SQDRVLKELF CC GHLSKLLGCK QKIIDLLPKV EVALSNIKEA DNTVMFMQGK RQKEIWHLLK IACTQ CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES DPEFGAGGPWEMRERLGTGGFGNVCLYQHRELDLKIAIKSCRLELSTKNR CC ATOM DPEFGAGGPWEMRERLGTGGFGNVCLYQHRELDLKIAIKSCRLELSTKNR CC ************************************************** CC SEQRES ERWCHEIQIMKKLNHANVVKACDVPEELNILIHDVPLLAMEYCSGGDLRK CC ATOM ERWCHEIQIMKKLNHANVVKACDVPEELNILIHDVPLLAMEYCSGGDLRK CC ************************************************** CC SEQRES LLNKPENCCGLKESQILSLLSDIGSGIRYLHENKIIHRDLKPENIVLQDV CC ATOM LLNKPENCCGLKESQILSLLSDIGSGIRYLHENKIIHRDLKPENIVLQDV CC ************************************************** CC SEQRES GGKIIHKIIDLGYAKDVDQGELCTEFVGTLQYLAPELFENKPYTATVDYW CC ATOM GGKIIHKIIDLGYAKDVDQGELCTEFVGTLQYLAPELFENKPYTATVDYW CC ************************************************** CC SEQRES SFGTMVFECIAGYRPFLHHLQPFTWHEKIKKKDPKCIFACEEMSGEVRFS CC ATOM SFGTMVFECIAGYRPFLHHLQPFTWHEKIKKKDPKCIFACEEMSGEVRFS CC ************************************************** CC SEQRES SHLPQPNSLCSLIVEPMENWLQLMLNWDPQQRGGPVDLTLKQPRCFVLMD CC ATOM SHLPQPNSLCSLIVEPMENWLQLMLNWDPQQRGGPVDLTLKQPRCFVLMD CC ************************************************** CC SEQRES HILNLKIVHILNMTSAKIISFLLPPDESLHSLQSRIERETGINTGSQELL CC ATOM HILNLKIVHILNMTSAKIISFLLPPDESLHSLQSRIERETGINTGSQELL CC ************************************************** CC SEQRES SETGISLDPRKPASQCVLDGVRGCDSYMVYLFDKSKTVYEGPFASRSLSD CC ATOM SETGISLDPRKPASQCVLDGVRGCDSYMVYLFDKSKTVYEGPFASRSLSD CC ************************************************** CC SEQRES CVNYIVQDSKIQLPIIQLRKVWAEAVHYVSGLKEDYSRLFQGQRAAMLSL CC ATOM CVNYIVQDSKIQLPIIQLRKVWAEAVHYVSGLKEDYSRLFQGQRAAMLSL CC ************************************************** CC SEQRES LRYNANLTKMKNTLISASQQLKAKLEFFHKSIQLDLERYSEQMTYGISSE CC ATOM LRYNANLTKMKNTLISASQQLKAKLEFFHKSIQLDLERYSEQMTYGISSE CC ************************************************** CC SEQRES KMLKAWKEMEEKAIHYAEVGVIGYLEDQIMSLHAEIMELQKSPYGRRQGD CC ATOM KMLKAWKEMEEKAIHYAEVGVIGYLEDQIMSLHAEIMELQKSPYGRRQGD CC ************************************************** CC SEQRES LMESLEQRAIDLYKQLKHRPSDHSYSDSTEMVKIIVHTVQSQDRVLKELF CC ATOM LMESLEQRAIDLYKQLKHRPSDHSYSDSTEMVKIIVHTVQSQDRVLKELF CC ************************************************** CC SEQRES GHLSKLLGCKQKIIDLLPKVEVALSNIKEADNTVMFMQGKRQKEIWHLLK CC ATOM GHLSKLLGCKQKIIDLLPKVEVALSNIKEADNTVMFMQGKRQKEIWHLLK CC ************************************************** CC SEQRES IACTQ CC ATOM IACTQ CC ***** SQ SEQUENCE 655 AA; MW; CN; DPEFGAGGPW EMRERLGTGG FGNVCLYQHR ELDLKIAIKS CRLELSTKNR ERWCHEIQIM KKLNHANVVK ACDVPEELNI LIHDVPLLAM EYCSGGDLRK LLNKPENCCG LKESQILSLL SDIGSGIRYL HENKIIHRDL KPENIVLQDV GGKIIHKIID LGYAKDVDQG ELCTEFVGTL QYLAPELFEN KPYTATVDYW SFGTMVFECI AGYRPFLHHL QPFTWHEKIK KKDPKCIFAC EEMSGEVRFS SHLPQPNSLC SLIVEPMENW LQLMLNWDPQ QRGGPVDLTL KQPRCFVLMD HILNLKIVHI LNMTSAKIIS FLLPPDESLH SLQSRIERET GINTGSQELL SETGISLDPR KPASQCVLDG VRGCDSYMVY LFDKSKTVYE GPFASRSLSD CVNYIVQDSK IQLPIIQLRK VWAEAVHYVS GLKEDYSRLF QGQRAAMLSL LRYNANLTKM KNTLISASQQ LKAKLEFFHK SIQLDLERYS EQMTYGISSE KMLKAWKEME EKAIHYAEVG VIGYLEDQIM SLHAEIMELQ KSPYGRRQGD LMESLEQRAI DLYKQLKHRP SDHSYSDSTE MVKIIVHTVQ SQDRVLKELF GHLSKLLGCK QKIIDLLPKV EVALSNIKEA DNTVMFMQGK RQKEIWHLLK IACTQ // ID 5EBZF STANDARD; PRT; 655 AA. DT CONVERTED FROM PDB (SEQRES) 5EBZ DE Inhibitor of nuclear factor kappa-B kinase subunit alpha OS Homo sapiens CC EXPDTA X-RAY DIFFRACTION CC RESOLU 4.500 CC R-Factor 0.238 FT #SUB 243 248 MET F 178 183 GLY B Protein S 1 FT #SUB 243 248 MET F 179 184 THR B Protein S 4 FT #SUB 244 249 SER F 180 185 LEU B Protein S 3 FT #SUB 244 249 SER F 222 227 PRO B Protein A 7 FT #SUB 244 249 SER F 223 228 PHE B Protein B 1 FT #SUB 245 250 GLY F 221 226 GLN B Protein B 7 FT #SUB 245 250 GLY F 223 228 PHE B Protein B 6 FT #SUB 246 251 GLU F 222 227 PRO B Protein S 1 FT #SUB 246 251 GLU F 223 228 PHE B Protein A 8 FT #SUB 247 252 VAL F 223 228 PHE B Protein S 2 FT #SUB 248 253 ARG F 176 181 PHE B Protein S 6 FT #SUB 397 402 SER F 21 26 PHE B Protein S 3 FT #SUB 397 402 SER F 43 48 LEU B Protein S 1 FT #SUB 398 403 LEU F 21 26 PHE B Protein S 2 FT #SUB 400 405 ASP F 20 25 GLY B Protein S 1 FT #SUB 400 405 ASP F 21 26 PHE B Protein S 1 FT #SUB 403 408 ASN F 21 26 PHE B Protein S 9 FT #SUB 403 408 ASN F 22 27 GLY B Protein S 3 FT #SUB 406 411 VAL F 15 20 ARG B Protein B 3 FT #SUB 407 412 GLN F 15 20 ARG B Protein A 11 FT #SUB 407 412 GLN F 16 21 LEU B Protein A 8 FT #SUB 407 412 GLN F 17 22 GLY B Protein S 1 FT #SUB 407 412 GLN F 22 27 GLY B Protein S 7 FT #SUB 407 412 GLN F 23 28 ASN B Protein S 8 FT #SUB 407 412 GLN F 24 29 VAL B Protein S 1 FT #SUB 408 413 ASP F 16 21 LEU B Protein B 2 FT #SUB 409 414 SER F 15 20 ARG B Protein S 1 FT #SUB 412 417 GLN F 568 573 HIS B Protein S 2 FT #SUB 569 574 ARG F 570 575 PRO B Protein S 2 FT #SUB 570 575 PRO F 570 575 PRO B Protein B 2 FT #SUB 571 576 SER F 571 576 SER B Protein B 4 FT #SUB 572 577 ASP F 571 576 SER B Protein A 9 FT #SUB 573 578 HIS F 573 578 HIS B Protein A 6 FT #SUB 574 579 SER F 571 576 SER B Protein A 4 FT #SUB 574 579 SER F 572 577 ASP B Protein A 12 FT #SUB 574 579 SER F 573 578 HIS B Protein S 4 FT #SUB 575 580 TYR F 571 576 SER B Protein A 9 FT #SUB 589 594 VAL F 1 6 ASP B Protein S 1 FT #SUB 1 6 ASP F 589 594 VAL D Protein S 1 FT #SUB 2 7 PRO F 407 412 GLN D Protein S 3 FT #SUB 15 20 ARG F 406 411 VAL D Protein S 3 FT #SUB 15 20 ARG F 407 412 GLN D Protein A 10 FT #SUB 15 20 ARG F 409 414 SER D Protein S 1 FT #SUB 16 21 LEU F 407 412 GLN D Protein B 6 FT #SUB 16 21 LEU F 408 413 ASP D Protein B 2 FT #SUB 21 26 PHE F 397 402 SER D Protein S 1 FT #SUB 21 26 PHE F 398 403 LEU D Protein S 2 FT #SUB 21 26 PHE F 400 405 ASP D Protein B 1 FT #SUB 21 26 PHE F 403 408 ASN D Protein A 9 FT #SUB 22 27 GLY F 403 408 ASN D Protein B 2 FT #SUB 22 27 GLY F 407 412 GLN D Protein B 10 FT #SUB 23 28 ASN F 407 412 GLN D Protein A 5 FT #SUB 176 181 PHE F 248 253 ARG D Protein S 6 FT #SUB 178 183 GLY F 243 248 MET D Protein B 1 FT #SUB 179 184 THR F 243 248 MET D Protein A 9 FT #SUB 179 184 THR F 244 249 SER D Protein A 9 FT #SUB 221 226 GLN F 243 248 MET D Protein S 1 FT #SUB 221 226 GLN F 245 250 GLY D Protein S 6 FT #SUB 221 226 GLN F 416 421 ILE D Protein S 1 FT #SUB 222 227 PRO F 244 249 SER D Protein A 7 FT #SUB 222 227 PRO F 246 251 GLU D Protein B 2 FT #SUB 223 228 PHE F 228 233 LYS D Protein S 4 FT #SUB 223 228 PHE F 244 249 SER D Protein A 2 FT #SUB 223 228 PHE F 245 250 GLY D Protein S 7 FT #SUB 223 228 PHE F 246 251 GLU D Protein A 6 FT #SUB 223 228 PHE F 247 252 VAL D Protein S 1 FT #SUB 570 575 PRO F 569 574 ARG D Protein S 1 FT #SUB 570 575 PRO F 570 575 PRO D Protein B 1 FT #SUB 571 576 SER F 569 574 ARG D Protein S 1 FT #SUB 571 576 SER F 570 575 PRO D Protein S 2 FT #SUB 571 576 SER F 571 576 SER D Protein S 4 FT #SUB 571 576 SER F 572 577 ASP D Protein S 5 FT #SUB 571 576 SER F 575 580 TYR D Protein A 5 FT #SUB 572 577 ASP F 572 577 ASP D Protein B 1 FT #SUB 572 577 ASP F 574 579 SER D Protein A 11 FT #SUB 573 578 HIS F 573 578 HIS D Protein S 3 FT #SUB 466 471 SER F 469 474 GLN E Protein A 6 FT #SUB 469 474 GLN F 466 471 SER E Protein S 4 FT #SUB 469 474 GLN F 469 474 GLN E Protein S 1 FT #SUB 469 474 GLN F 470 475 GLN E Protein S 1 FT #SUB 470 475 GLN F 473 478 ALA E Protein A 5 FT #SUB 473 478 ALA F 470 475 GLN E Protein S 2 FT #SUB 473 478 ALA F 473 478 ALA E Protein S 1 FT #SUB 473 478 ALA F 474 479 LYS E Protein B 4 FT #SUB 474 479 LYS F 473 478 ALA E Protein S 3 FT #SUB 474 479 LYS F 476 481 GLU E Protein S 5 FT #SUB 474 479 LYS F 477 482 PHE E Protein A 5 FT #SUB 476 481 GLU F 474 479 LYS E Protein S 5 FT #SUB 476 481 GLU F 635 640 MET E Protein S 1 FT #SUB 477 482 PHE F 477 482 PHE E Protein A 10 FT #SUB 477 482 PHE F 478 483 PHE E Protein S 1 FT #SUB 477 482 PHE F 634 639 VAL E Protein S 2 FT #SUB 477 482 PHE F 635 640 MET E Protein S 4 FT #SUB 477 482 PHE F 638 643 GLN E Protein A 6 FT #SUB 477 482 PHE F 641 646 ARG E Protein S 3 FT #SUB 478 483 PHE F 477 482 PHE E Protein S 2 FT #SUB 480 485 LYS F 635 640 MET E Protein S 4 FT #SUB 480 485 LYS F 638 643 GLN E Protein S 3 FT #SUB 481 486 SER F 638 643 GLN E Protein S 8 FT #SUB 481 486 SER F 642 647 GLN E Protein A 9 FT #SUB 484 489 LEU F 638 643 GLN E Protein S 1 FT #SUB 484 489 LEU F 642 647 GLN E Protein S 5 FT #SUB 484 489 LEU F 643 648 LYS E Protein S 3 FT #SUB 485 490 ASP F 642 647 GLN E Protein S 4 FT #SUB 485 490 ASP F 646 651 TRP E Protein A 7 FT #SUB 488 493 ARG F 646 651 TRP E Protein A 4 FT #SUB 492 497 GLN F 646 651 TRP E Protein S 3 FT #SUB 492 497 GLN F 650 655 LYS E Protein S 2 FT #SUB 497 502 ILE F 649 654 LEU E Protein S 3 FT #SUB 497 502 ILE F 653 658 CYS E Protein S 2 FT #SUB 634 639 VAL F 477 482 PHE E Protein B 3 FT #SUB 635 640 MET F 476 481 GLU E Protein S 1 FT #SUB 635 640 MET F 477 482 PHE E Protein A 3 FT #SUB 635 640 MET F 480 485 LYS E Protein A 11 FT #SUB 636 641 PHE F 480 485 LYS E Protein A 3 FT #SUB 638 643 GLN F 477 482 PHE E Protein S 3 FT #SUB 638 643 GLN F 480 485 LYS E Protein S 3 FT #SUB 638 643 GLN F 481 486 SER E Protein S 9 FT #SUB 638 643 GLN F 484 489 LEU E Protein A 3 FT #SUB 639 644 GLY F 484 489 LEU E Protein B 1 FT #SUB 641 646 ARG F 642 647 GLN E Protein B 1 FT #SUB 642 647 GLN F 481 486 SER E Protein S 9 FT #SUB 642 647 GLN F 484 489 LEU E Protein S 6 FT #SUB 642 647 GLN F 485 490 ASP E Protein S 9 FT #SUB 642 647 GLN F 641 646 ARG E Protein S 1 FT #SUB 643 648 LYS F 484 489 LEU E Protein S 4 FT #SUB 643 648 LYS F 488 493 ARG E Protein A 11 FT #SUB 645 650 ILE F 645 650 ILE E Protein S 1 FT #SUB 646 651 TRP F 485 490 ASP E Protein S 10 FT #SUB 646 651 TRP F 488 493 ARG E Protein S 14 FT #SUB 646 651 TRP F 489 494 TYR E Protein S 6 FT #SUB 646 651 TRP F 492 497 GLN E Protein S 6 FT #SUB 647 652 HIS F 488 493 ARG E Protein A 2 FT #SUB 649 654 LEU F 492 497 GLN E Protein S 3 FT #SUB 649 654 LEU F 497 502 ILE E Protein S 3 FT #SUB 649 654 LEU F 649 654 LEU E Protein S 1 FT #SUB 650 655 LYS F 492 497 GLN E Protein S 7 FT #SUB 650 655 LYS F 495 500 TYR E Protein S 2 FT #SUB 652 657 ALA F 652 657 ALA E Protein A 5 FT #SUB 652 657 ALA F 655 660 GLN E Protein B 1 FT #SUB 653 658 CYS F 496 501 GLY E Protein S 3 FT #SUB 653 658 CYS F 497 502 ILE E Protein S 3 FT #SUB 655 660 GLN F 652 657 ALA E Protein S 1 FT #SUB 655 660 GLN F 655 660 GLN E Protein A 2 FT #HET 16 21 LEU F 106 701 5TL F S 10 FT #HET 92 97 TYR F 106 701 5TL F S 3 FT #HET 93 98 CYS F 106 701 5TL F B 3 FT #HET 94 99 SER F 106 701 5TL F B 5 FT #HET 96 101 GLY F 106 701 5TL F B 9 FT #HET 97 102 ASP F 106 701 5TL F A 24 FT #HET 99 104 ARG F 106 701 5TL F S 1 FT #HET 100 105 LYS F 40 2 GLC W S 3 FT #HET 104 109 LYS F 41 3 PDX W S 5 FT #HET 146 151 VAL F 106 701 5TL F S 3 FT #HET 159 164 ILE F 106 701 5TL F S 1 FT #HET 410 415 LYS F 14 1 5LS P S 3 FT #HET 558 563 ARG F 49 2 GLC Z S 9 FT #HET 579 584 THR F 14 1 5LS P S 1 FT #HET 583 588 LYS F 49 2 GLC Z S 1 FT #HET 587 592 HIS F 49 2 GLC Z S 7 FT #HET 587 592 HIS F 50 3 PDX Z B 3 FT #HET 590 595 GLN F 50 3 PDX Z A 4 FT #HET 591 596 SER F 50 3 PDX Z B 3 FT #HET 594 599 ARG F 50 3 PDX Z S 4 CC SEQUENCE 655 AA (ATOM); CC DPEFGAGGPW EMRERLGTGG FGNVCLYQHR ELDLKIAIKS CRLELSTKNR ERWCHEIQIM CC KKLNHANVVK ACDVPEELNI LIHDVPLLAM EYCSGGDLRK LLNKPENCCG LKESQILSLL CC SDIGSGIRYL HENKIIHRDL KPENIVLQDV GGKIIHKIID LGYAKDVDQG ELCTEFVGTL CC QYLAPELFEN KPYTATVDYW SFGTMVFECI AGYRPFLHHL QPFTWHEKIK KKDPKCIFAC CC EEMSGEVRFS SHLPQPNSLC SLIVEPMENW LQLMLNWDPQ QRGGPVDLTL KQPRCFVLMD CC HILNLKIVHI LNMTSAKIIS FLLPPDESLH SLQSRIERET GINTGSQELL SETGISLDPR CC KPASQCVLDG VRGCDSYMVY LFDKSKTVYE GPFASRSLSD CVNYIVQDSK IQLPIIQLRK CC VWAEAVHYVS GLKEDYSRLF QGQRAAMLSL LRYNANLTKM KNTLISASQQ LKAKLEFFHK CC SIQLDLERYS EQMTYGISSE KMLKAWKEME EKAIHYAEVG VIGYLEDQIM SLHAEIMELQ CC KSPYGRRQGD LMESLEQRAI DLYKQLKHRP SDHSYSDSTE MVKIIVHTVQ SQDRVLKELF CC GHLSKLLGCK QKIIDLLPKV EVALSNIKEA DNTVMFMQGK RQKEIWHLLK IACTQ CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES DPEFGAGGPWEMRERLGTGGFGNVCLYQHRELDLKIAIKSCRLELSTKNR CC ATOM DPEFGAGGPWEMRERLGTGGFGNVCLYQHRELDLKIAIKSCRLELSTKNR CC ************************************************** CC SEQRES ERWCHEIQIMKKLNHANVVKACDVPEELNILIHDVPLLAMEYCSGGDLRK CC ATOM ERWCHEIQIMKKLNHANVVKACDVPEELNILIHDVPLLAMEYCSGGDLRK CC ************************************************** CC SEQRES LLNKPENCCGLKESQILSLLSDIGSGIRYLHENKIIHRDLKPENIVLQDV CC ATOM LLNKPENCCGLKESQILSLLSDIGSGIRYLHENKIIHRDLKPENIVLQDV CC ************************************************** CC SEQRES GGKIIHKIIDLGYAKDVDQGELCTEFVGTLQYLAPELFENKPYTATVDYW CC ATOM GGKIIHKIIDLGYAKDVDQGELCTEFVGTLQYLAPELFENKPYTATVDYW CC ************************************************** CC SEQRES SFGTMVFECIAGYRPFLHHLQPFTWHEKIKKKDPKCIFACEEMSGEVRFS CC ATOM SFGTMVFECIAGYRPFLHHLQPFTWHEKIKKKDPKCIFACEEMSGEVRFS CC ************************************************** CC SEQRES SHLPQPNSLCSLIVEPMENWLQLMLNWDPQQRGGPVDLTLKQPRCFVLMD CC ATOM SHLPQPNSLCSLIVEPMENWLQLMLNWDPQQRGGPVDLTLKQPRCFVLMD CC ************************************************** CC SEQRES HILNLKIVHILNMTSAKIISFLLPPDESLHSLQSRIERETGINTGSQELL CC ATOM HILNLKIVHILNMTSAKIISFLLPPDESLHSLQSRIERETGINTGSQELL CC ************************************************** CC SEQRES SETGISLDPRKPASQCVLDGVRGCDSYMVYLFDKSKTVYEGPFASRSLSD CC ATOM SETGISLDPRKPASQCVLDGVRGCDSYMVYLFDKSKTVYEGPFASRSLSD CC ************************************************** CC SEQRES CVNYIVQDSKIQLPIIQLRKVWAEAVHYVSGLKEDYSRLFQGQRAAMLSL CC ATOM CVNYIVQDSKIQLPIIQLRKVWAEAVHYVSGLKEDYSRLFQGQRAAMLSL CC ************************************************** CC SEQRES LRYNANLTKMKNTLISASQQLKAKLEFFHKSIQLDLERYSEQMTYGISSE CC ATOM LRYNANLTKMKNTLISASQQLKAKLEFFHKSIQLDLERYSEQMTYGISSE CC ************************************************** CC SEQRES KMLKAWKEMEEKAIHYAEVGVIGYLEDQIMSLHAEIMELQKSPYGRRQGD CC ATOM KMLKAWKEMEEKAIHYAEVGVIGYLEDQIMSLHAEIMELQKSPYGRRQGD CC ************************************************** CC SEQRES LMESLEQRAIDLYKQLKHRPSDHSYSDSTEMVKIIVHTVQSQDRVLKELF CC ATOM LMESLEQRAIDLYKQLKHRPSDHSYSDSTEMVKIIVHTVQSQDRVLKELF CC ************************************************** CC SEQRES GHLSKLLGCKQKIIDLLPKVEVALSNIKEADNTVMFMQGKRQKEIWHLLK CC ATOM GHLSKLLGCKQKIIDLLPKVEVALSNIKEADNTVMFMQGKRQKEIWHLLK CC ************************************************** CC SEQRES IACTQ CC ATOM IACTQ CC ***** SQ SEQUENCE 655 AA; MW; CN; DPEFGAGGPW EMRERLGTGG FGNVCLYQHR ELDLKIAIKS CRLELSTKNR ERWCHEIQIM KKLNHANVVK ACDVPEELNI LIHDVPLLAM EYCSGGDLRK LLNKPENCCG LKESQILSLL SDIGSGIRYL HENKIIHRDL KPENIVLQDV GGKIIHKIID LGYAKDVDQG ELCTEFVGTL QYLAPELFEN KPYTATVDYW SFGTMVFECI AGYRPFLHHL QPFTWHEKIK KKDPKCIFAC EEMSGEVRFS SHLPQPNSLC SLIVEPMENW LQLMLNWDPQ QRGGPVDLTL KQPRCFVLMD HILNLKIVHI LNMTSAKIIS FLLPPDESLH SLQSRIERET GINTGSQELL SETGISLDPR KPASQCVLDG VRGCDSYMVY LFDKSKTVYE GPFASRSLSD CVNYIVQDSK IQLPIIQLRK VWAEAVHYVS GLKEDYSRLF QGQRAAMLSL LRYNANLTKM KNTLISASQQ LKAKLEFFHK SIQLDLERYS EQMTYGISSE KMLKAWKEME EKAIHYAEVG VIGYLEDQIM SLHAEIMELQ KSPYGRRQGD LMESLEQRAI DLYKQLKHRP SDHSYSDSTE MVKIIVHTVQ SQDRVLKELF GHLSKLLGCK QKIIDLLPKV EVALSNIKEA DNTVMFMQGK RQKEIWHLLK IACTQ // ID 5EBZG STANDARD; PRT; 655 AA. DT CONVERTED FROM PDB (SEQRES) 5EBZ DE Inhibitor of nuclear factor kappa-B kinase subunit alpha OS Homo sapiens CC EXPDTA X-RAY DIFFRACTION CC RESOLU 4.500 CC R-Factor 0.238 FT #SUB 466 471 SER G 469 474 GLN H Protein A 5 FT #SUB 469 474 GLN G 466 471 SER H Protein S 4 FT #SUB 469 474 GLN G 469 474 GLN H Protein S 1 FT #SUB 470 475 GLN G 469 474 GLN H Protein S 1 FT #SUB 470 475 GLN G 473 478 ALA H Protein A 3 FT #SUB 473 478 ALA G 470 475 GLN H Protein S 3 FT #SUB 473 478 ALA G 473 478 ALA H Protein S 1 FT #SUB 473 478 ALA G 474 479 LYS H Protein B 3 FT #SUB 474 479 LYS G 473 478 ALA H Protein S 3 FT #SUB 474 479 LYS G 476 481 GLU H Protein S 7 FT #SUB 474 479 LYS G 477 482 PHE H Protein A 3 FT #SUB 476 481 GLU G 474 479 LYS H Protein S 6 FT #SUB 476 481 GLU G 635 640 MET H Protein S 2 FT #SUB 477 482 PHE G 474 479 LYS H Protein A 4 FT #SUB 477 482 PHE G 477 482 PHE H Protein A 13 FT #SUB 477 482 PHE G 478 483 PHE H Protein S 2 FT #SUB 477 482 PHE G 634 639 VAL H Protein S 4 FT #SUB 477 482 PHE G 635 640 MET H Protein S 3 FT #SUB 477 482 PHE G 638 643 GLN H Protein A 4 FT #SUB 477 482 PHE G 641 646 ARG H Protein S 2 FT #SUB 478 483 PHE G 477 482 PHE H Protein A 3 FT #SUB 480 485 LYS G 635 640 MET H Protein S 8 FT #SUB 480 485 LYS G 636 641 PHE H Protein S 1 FT #SUB 480 485 LYS G 638 643 GLN H Protein A 4 FT #SUB 481 486 SER G 638 643 GLN H Protein A 9 FT #SUB 481 486 SER G 642 647 GLN H Protein A 9 FT #SUB 484 489 LEU G 638 643 GLN H Protein S 2 FT #SUB 484 489 LEU G 642 647 GLN H Protein S 6 FT #SUB 484 489 LEU G 643 648 LYS H Protein S 3 FT #SUB 485 490 ASP G 642 647 GLN H Protein S 8 FT #SUB 485 490 ASP G 646 651 TRP H Protein A 10 FT #SUB 488 493 ARG G 643 648 LYS H Protein S 5 FT #SUB 488 493 ARG G 646 651 TRP H Protein A 8 FT #SUB 489 494 TYR G 646 651 TRP H Protein A 4 FT #SUB 492 497 GLN G 646 651 TRP H Protein S 6 FT #SUB 492 497 GLN G 649 654 LEU H Protein S 3 FT #SUB 492 497 GLN G 650 655 LYS H Protein S 4 FT #SUB 495 500 TYR G 653 658 CYS H Protein B 2 FT #SUB 496 501 GLY G 650 655 LYS H Protein B 5 FT #SUB 496 501 GLY G 653 658 CYS H Protein B 2 FT #SUB 497 502 ILE G 649 654 LEU H Protein S 2 FT #SUB 497 502 ILE G 653 658 CYS H Protein S 1 FT #SUB 634 639 VAL G 477 482 PHE H Protein B 3 FT #SUB 635 640 MET G 476 481 GLU H Protein S 6 FT #SUB 635 640 MET G 477 482 PHE H Protein A 3 FT #SUB 635 640 MET G 480 485 LYS H Protein A 8 FT #SUB 636 641 PHE G 480 485 LYS H Protein A 4 FT #SUB 638 643 GLN G 477 482 PHE H Protein S 5 FT #SUB 638 643 GLN G 480 485 LYS H Protein S 5 FT #SUB 638 643 GLN G 481 486 SER H Protein S 9 FT #SUB 638 643 GLN G 484 489 LEU H Protein A 4 FT #SUB 639 644 GLY G 484 489 LEU H Protein B 1 FT #SUB 641 646 ARG G 477 482 PHE H Protein S 3 FT #SUB 641 646 ARG G 642 647 GLN H Protein B 1 FT #SUB 642 647 GLN G 481 486 SER H Protein S 9 FT #SUB 642 647 GLN G 484 489 LEU H Protein S 6 FT #SUB 642 647 GLN G 485 490 ASP H Protein S 6 FT #SUB 642 647 GLN G 641 646 ARG H Protein S 1 FT #SUB 643 648 LYS G 484 489 LEU H Protein A 5 FT #SUB 643 648 LYS G 488 493 ARG H Protein A 7 FT #SUB 645 650 ILE G 645 650 ILE H Protein S 2 FT #SUB 646 651 TRP G 485 490 ASP H Protein S 12 FT #SUB 646 651 TRP G 488 493 ARG H Protein S 11 FT #SUB 646 651 TRP G 489 494 TYR H Protein S 5 FT #SUB 646 651 TRP G 492 497 GLN H Protein S 4 FT #SUB 647 652 HIS G 488 493 ARG H Protein A 2 FT #SUB 649 654 LEU G 492 497 GLN H Protein S 3 FT #SUB 649 654 LEU G 649 654 LEU H Protein S 1 FT #SUB 650 655 LYS G 492 497 GLN H Protein S 6 FT #SUB 650 655 LYS G 496 501 GLY H Protein S 3 FT #SUB 652 657 ALA G 652 657 ALA H Protein A 5 FT #SUB 652 657 ALA G 655 660 GLN H Protein B 1 FT #SUB 653 658 CYS G 495 500 TYR H Protein B 1 FT #SUB 653 658 CYS G 496 501 GLY H Protein S 3 FT #SUB 653 658 CYS G 497 502 ILE H Protein S 2 FT #SUB 655 660 GLN G 652 657 ALA H Protein S 1 FT #SUB 655 660 GLN G 655 660 GLN H Protein A 2 FT #SUB 15 20 ARG G 406 411 VAL I Protein S 2 FT #SUB 15 20 ARG G 407 412 GLN I Protein S 5 FT #SUB 16 21 LEU G 407 412 GLN I Protein B 6 FT #SUB 16 21 LEU G 408 413 ASP I Protein B 1 FT #SUB 17 22 GLY G 407 412 GLN I Protein B 1 FT #SUB 20 25 GLY G 403 408 ASN I Protein B 1 FT #SUB 21 26 PHE G 397 402 SER I Protein S 2 FT #SUB 21 26 PHE G 398 403 LEU I Protein S 2 FT #SUB 21 26 PHE G 403 408 ASN I Protein A 8 FT #SUB 22 27 GLY G 403 408 ASN I Protein B 1 FT #SUB 22 27 GLY G 407 412 GLN I Protein B 6 FT #SUB 23 28 ASN G 407 412 GLN I Protein A 8 FT #SUB 176 181 PHE G 248 253 ARG I Protein S 3 FT #SUB 177 182 VAL G 243 248 MET I Protein B 1 FT #SUB 178 183 GLY G 243 248 MET I Protein B 2 FT #SUB 179 184 THR G 243 248 MET I Protein A 11 FT #SUB 179 184 THR G 244 249 SER I Protein B 3 FT #SUB 180 185 LEU G 244 249 SER I Protein B 1 FT #SUB 221 226 GLN G 245 250 GLY I Protein S 1 FT #SUB 222 227 PRO G 244 249 SER I Protein A 7 FT #SUB 223 228 PHE G 228 233 LYS I Protein S 4 FT #SUB 223 228 PHE G 244 249 SER I Protein A 2 FT #SUB 223 228 PHE G 245 250 GLY I Protein S 3 FT #SUB 223 228 PHE G 246 251 GLU I Protein A 5 FT #SUB 568 573 HIS G 412 417 GLN I Protein S 2 FT #SUB 570 575 PRO G 569 574 ARG I Protein S 2 FT #SUB 570 575 PRO G 570 575 PRO I Protein B 1 FT #SUB 571 576 SER G 571 576 SER I Protein S 5 FT #SUB 571 576 SER G 572 577 ASP I Protein S 8 FT #SUB 571 576 SER G 574 579 SER I Protein S 1 FT #SUB 571 576 SER G 575 580 TYR I Protein B 5 FT #SUB 572 577 ASP G 574 579 SER I Protein A 8 FT #SUB 573 578 HIS G 573 578 HIS I Protein S 2 FT #SUB 573 578 HIS G 574 579 SER I Protein A 7 FT #SUB 228 233 LYS G 223 228 PHE K Protein S 1 FT #SUB 243 248 MET G 177 182 VAL K Protein S 1 FT #SUB 243 248 MET G 178 183 GLY K Protein S 2 FT #SUB 243 248 MET G 179 184 THR K Protein S 4 FT #SUB 244 249 SER G 180 185 LEU K Protein S 2 FT #SUB 244 249 SER G 222 227 PRO K Protein A 6 FT #SUB 244 249 SER G 223 228 PHE K Protein B 2 FT #SUB 245 250 GLY G 221 226 GLN K Protein B 5 FT #SUB 245 250 GLY G 223 228 PHE K Protein B 3 FT #SUB 246 251 GLU G 223 228 PHE K Protein A 10 FT #SUB 248 253 ARG G 176 181 PHE K Protein S 6 FT #SUB 398 403 LEU G 21 26 PHE K Protein S 2 FT #SUB 400 405 ASP G 21 26 PHE K Protein S 1 FT #SUB 403 408 ASN G 21 26 PHE K Protein S 10 FT #SUB 403 408 ASN G 22 27 GLY K Protein S 2 FT #SUB 406 411 VAL G 15 20 ARG K Protein B 2 FT #SUB 407 412 GLN G 15 20 ARG K Protein A 8 FT #SUB 407 412 GLN G 16 21 LEU K Protein A 6 FT #SUB 407 412 GLN G 17 22 GLY K Protein S 1 FT #SUB 407 412 GLN G 22 27 GLY K Protein S 7 FT #SUB 407 412 GLN G 23 28 ASN K Protein S 4 FT #SUB 408 413 ASP G 16 21 LEU K Protein B 2 FT #SUB 409 414 SER G 15 20 ARG K Protein S 1 FT #SUB 412 417 GLN G 568 573 HIS K Protein S 2 FT #SUB 569 574 ARG G 570 575 PRO K Protein S 5 FT #SUB 570 575 PRO G 570 575 PRO K Protein B 3 FT #SUB 570 575 PRO G 571 576 SER K Protein B 3 FT #SUB 571 576 SER G 571 576 SER K Protein A 8 FT #SUB 572 577 ASP G 571 576 SER K Protein B 7 FT #SUB 572 577 ASP G 572 577 ASP K Protein B 1 FT #SUB 573 578 HIS G 573 578 HIS K Protein B 7 FT #SUB 574 579 SER G 572 577 ASP K Protein S 10 FT #SUB 574 579 SER G 573 578 HIS K Protein S 8 FT #SUB 575 580 TYR G 571 576 SER K Protein A 7 FT #HET 16 21 LEU G 107 701 5TL G S 15 FT #HET 17 22 GLY G 107 701 5TL G B 1 FT #HET 18 23 THR G 107 701 5TL G B 2 FT #HET 24 29 VAL G 107 701 5TL G S 5 FT #HET 90 95 MET G 107 701 5TL G S 2 FT #HET 91 96 GLU G 107 701 5TL G B 2 FT #HET 92 97 TYR G 107 701 5TL G A 13 FT #HET 93 98 CYS G 107 701 5TL G A 8 FT #HET 94 99 SER G 53 3 PDX a B 3 FT #HET 96 101 GLY G 53 3 PDX a B 3 FT #HET 96 101 GLY G 107 701 5TL G B 2 FT #HET 97 102 ASP G 107 701 5TL G A 8 FT #HET 100 105 LYS G 52 2 GLC a S 3 FT #HET 100 105 LYS G 53 3 PDX a S 1 FT #HET 104 109 LYS G 52 2 GLC a S 2 FT #HET 105 110 PRO G 51 1 5LS a S 4 FT #HET 106 111 GLU G 51 1 5LS a S 1 FT #HET 146 151 VAL G 107 701 5TL G S 4 FT #HET 159 164 ILE G 107 701 5TL G S 5 FT #HET 160 165 ASP G 107 701 5TL G S 1 FT #HET 440 445 PHE G 63 7 5TH c S 2 FT #HET 444 449 ARG G 63 7 5TH c S 1 FT #HET 547 552 ARG G 63 7 5TH c S 6 FT #HET 555 560 LEU G 55 2 GLC b S 1 FT #HET 558 563 ARG G 55 2 GLC b S 5 FT #HET 587 592 HIS G 55 2 GLC b S 16 FT #HET 587 592 HIS G 56 3 PDX b B 1 FT #HET 590 595 GLN G 56 3 PDX b A 5 FT #HET 591 596 SER G 56 3 PDX b A 4 FT #HET 594 599 ARG G 56 3 PDX b S 6 CC SEQUENCE 655 AA (ATOM); CC DPEFGAGGPW EMRERLGTGG FGNVCLYQHR ELDLKIAIKS CRLELSTKNR ERWCHEIQIM CC KKLNHANVVK ACDVPEELNI LIHDVPLLAM EYCSGGDLRK LLNKPENCCG LKESQILSLL CC SDIGSGIRYL HENKIIHRDL KPENIVLQDV GGKIIHKIID LGYAKDVDQG ELCTEFVGTL CC QYLAPELFEN KPYTATVDYW SFGTMVFECI AGYRPFLHHL QPFTWHEKIK KKDPKCIFAC CC EEMSGEVRFS SHLPQPNSLC SLIVEPMENW LQLMLNWDPQ QRGGPVDLTL KQPRCFVLMD CC HILNLKIVHI LNMTSAKIIS FLLPPDESLH SLQSRIERET GINTGSQELL SETGISLDPR CC KPASQCVLDG VRGCDSYMVY LFDKSKTVYE GPFASRSLSD CVNYIVQDSK IQLPIIQLRK CC VWAEAVHYVS GLKEDYSRLF QGQRAAMLSL LRYNANLTKM KNTLISASQQ LKAKLEFFHK CC SIQLDLERYS EQMTYGISSE KMLKAWKEME EKAIHYAEVG VIGYLEDQIM SLHAEIMELQ CC KSPYGRRQGD LMESLEQRAI DLYKQLKHRP SDHSYSDSTE MVKIIVHTVQ SQDRVLKELF CC GHLSKLLGCK QKIIDLLPKV EVALSNIKEA DNTVMFMQGK RQKEIWHLLK IACTQ CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES DPEFGAGGPWEMRERLGTGGFGNVCLYQHRELDLKIAIKSCRLELSTKNR CC ATOM DPEFGAGGPWEMRERLGTGGFGNVCLYQHRELDLKIAIKSCRLELSTKNR CC ************************************************** CC SEQRES ERWCHEIQIMKKLNHANVVKACDVPEELNILIHDVPLLAMEYCSGGDLRK CC ATOM ERWCHEIQIMKKLNHANVVKACDVPEELNILIHDVPLLAMEYCSGGDLRK CC ************************************************** CC SEQRES LLNKPENCCGLKESQILSLLSDIGSGIRYLHENKIIHRDLKPENIVLQDV CC ATOM LLNKPENCCGLKESQILSLLSDIGSGIRYLHENKIIHRDLKPENIVLQDV CC ************************************************** CC SEQRES GGKIIHKIIDLGYAKDVDQGELCTEFVGTLQYLAPELFENKPYTATVDYW CC ATOM GGKIIHKIIDLGYAKDVDQGELCTEFVGTLQYLAPELFENKPYTATVDYW CC ************************************************** CC SEQRES SFGTMVFECIAGYRPFLHHLQPFTWHEKIKKKDPKCIFACEEMSGEVRFS CC ATOM SFGTMVFECIAGYRPFLHHLQPFTWHEKIKKKDPKCIFACEEMSGEVRFS CC ************************************************** CC SEQRES SHLPQPNSLCSLIVEPMENWLQLMLNWDPQQRGGPVDLTLKQPRCFVLMD CC ATOM SHLPQPNSLCSLIVEPMENWLQLMLNWDPQQRGGPVDLTLKQPRCFVLMD CC ************************************************** CC SEQRES HILNLKIVHILNMTSAKIISFLLPPDESLHSLQSRIERETGINTGSQELL CC ATOM HILNLKIVHILNMTSAKIISFLLPPDESLHSLQSRIERETGINTGSQELL CC ************************************************** CC SEQRES SETGISLDPRKPASQCVLDGVRGCDSYMVYLFDKSKTVYEGPFASRSLSD CC ATOM SETGISLDPRKPASQCVLDGVRGCDSYMVYLFDKSKTVYEGPFASRSLSD CC ************************************************** CC SEQRES CVNYIVQDSKIQLPIIQLRKVWAEAVHYVSGLKEDYSRLFQGQRAAMLSL CC ATOM CVNYIVQDSKIQLPIIQLRKVWAEAVHYVSGLKEDYSRLFQGQRAAMLSL CC ************************************************** CC SEQRES LRYNANLTKMKNTLISASQQLKAKLEFFHKSIQLDLERYSEQMTYGISSE CC ATOM LRYNANLTKMKNTLISASQQLKAKLEFFHKSIQLDLERYSEQMTYGISSE CC ************************************************** CC SEQRES KMLKAWKEMEEKAIHYAEVGVIGYLEDQIMSLHAEIMELQKSPYGRRQGD CC ATOM KMLKAWKEMEEKAIHYAEVGVIGYLEDQIMSLHAEIMELQKSPYGRRQGD CC ************************************************** CC SEQRES LMESLEQRAIDLYKQLKHRPSDHSYSDSTEMVKIIVHTVQSQDRVLKELF CC ATOM LMESLEQRAIDLYKQLKHRPSDHSYSDSTEMVKIIVHTVQSQDRVLKELF CC ************************************************** CC SEQRES GHLSKLLGCKQKIIDLLPKVEVALSNIKEADNTVMFMQGKRQKEIWHLLK CC ATOM GHLSKLLGCKQKIIDLLPKVEVALSNIKEADNTVMFMQGKRQKEIWHLLK CC ************************************************** CC SEQRES IACTQ CC ATOM IACTQ CC ***** SQ SEQUENCE 655 AA; MW; CN; DPEFGAGGPW EMRERLGTGG FGNVCLYQHR ELDLKIAIKS CRLELSTKNR ERWCHEIQIM KKLNHANVVK ACDVPEELNI LIHDVPLLAM EYCSGGDLRK LLNKPENCCG LKESQILSLL SDIGSGIRYL HENKIIHRDL KPENIVLQDV GGKIIHKIID LGYAKDVDQG ELCTEFVGTL QYLAPELFEN KPYTATVDYW SFGTMVFECI AGYRPFLHHL QPFTWHEKIK KKDPKCIFAC EEMSGEVRFS SHLPQPNSLC SLIVEPMENW LQLMLNWDPQ QRGGPVDLTL KQPRCFVLMD HILNLKIVHI LNMTSAKIIS FLLPPDESLH SLQSRIERET GINTGSQELL SETGISLDPR KPASQCVLDG VRGCDSYMVY LFDKSKTVYE GPFASRSLSD CVNYIVQDSK IQLPIIQLRK VWAEAVHYVS GLKEDYSRLF QGQRAAMLSL LRYNANLTKM KNTLISASQQ LKAKLEFFHK SIQLDLERYS EQMTYGISSE KMLKAWKEME EKAIHYAEVG VIGYLEDQIM SLHAEIMELQ KSPYGRRQGD LMESLEQRAI DLYKQLKHRP SDHSYSDSTE MVKIIVHTVQ SQDRVLKELF GHLSKLLGCK QKIIDLLPKV EVALSNIKEA DNTVMFMQGK RQKEIWHLLK IACTQ // ID 5EBZH STANDARD; PRT; 655 AA. DT CONVERTED FROM PDB (SEQRES) 5EBZ DE Inhibitor of nuclear factor kappa-B kinase subunit alpha OS Homo sapiens CC EXPDTA X-RAY DIFFRACTION CC RESOLU 4.500 CC R-Factor 0.238 FT #SUB 330 335 HIS H 169 174 GLN C Protein S 2 FT #SUB 333 338 GLN H 169 174 GLN C Protein S 1 FT #SUB 344 349 THR H 58 63 GLN C Protein S 7 FT #SUB 344 349 THR H 169 174 GLN C Protein B 1 FT #SUB 345 350 GLY H 169 174 GLN C Protein B 2 FT #SUB 466 471 SER H 469 474 GLN G Protein A 4 FT #SUB 469 474 GLN H 466 471 SER G Protein S 5 FT #SUB 469 474 GLN H 469 474 GLN G Protein S 1 FT #SUB 469 474 GLN H 470 475 GLN G Protein S 1 FT #SUB 470 475 GLN H 473 478 ALA G Protein A 3 FT #SUB 473 478 ALA H 470 475 GLN G Protein S 3 FT #SUB 473 478 ALA H 473 478 ALA G Protein S 1 FT #SUB 473 478 ALA H 474 479 LYS G Protein B 3 FT #SUB 474 479 LYS H 473 478 ALA G Protein S 3 FT #SUB 474 479 LYS H 476 481 GLU G Protein S 6 FT #SUB 474 479 LYS H 477 482 PHE G Protein A 4 FT #SUB 476 481 GLU H 474 479 LYS G Protein S 7 FT #SUB 476 481 GLU H 635 640 MET G Protein S 6 FT #SUB 477 482 PHE H 474 479 LYS G Protein A 3 FT #SUB 477 482 PHE H 477 482 PHE G Protein A 13 FT #SUB 477 482 PHE H 478 483 PHE G Protein S 3 FT #SUB 477 482 PHE H 634 639 VAL G Protein S 3 FT #SUB 477 482 PHE H 635 640 MET G Protein S 3 FT #SUB 477 482 PHE H 638 643 GLN G Protein A 5 FT #SUB 477 482 PHE H 641 646 ARG G Protein S 3 FT #SUB 478 483 PHE H 477 482 PHE G Protein S 2 FT #SUB 480 485 LYS H 635 640 MET G Protein S 8 FT #SUB 480 485 LYS H 636 641 PHE G Protein S 4 FT #SUB 480 485 LYS H 638 643 GLN G Protein A 5 FT #SUB 481 486 SER H 638 643 GLN G Protein A 9 FT #SUB 481 486 SER H 642 647 GLN G Protein A 9 FT #SUB 484 489 LEU H 638 643 GLN G Protein S 4 FT #SUB 484 489 LEU H 639 644 GLY G Protein S 1 FT #SUB 484 489 LEU H 642 647 GLN G Protein S 6 FT #SUB 484 489 LEU H 643 648 LYS G Protein S 5 FT #SUB 485 490 ASP H 642 647 GLN G Protein S 6 FT #SUB 485 490 ASP H 646 651 TRP G Protein A 12 FT #SUB 488 493 ARG H 643 648 LYS G Protein S 7 FT #SUB 488 493 ARG H 646 651 TRP G Protein A 11 FT #SUB 488 493 ARG H 647 652 HIS G Protein S 2 FT #SUB 489 494 TYR H 646 651 TRP G Protein A 5 FT #SUB 492 497 GLN H 646 651 TRP G Protein S 4 FT #SUB 492 497 GLN H 649 654 LEU G Protein S 3 FT #SUB 492 497 GLN H 650 655 LYS G Protein S 6 FT #SUB 495 500 TYR H 653 658 CYS G Protein B 1 FT #SUB 496 501 GLY H 650 655 LYS G Protein B 3 FT #SUB 496 501 GLY H 653 658 CYS G Protein B 3 FT #SUB 497 502 ILE H 653 658 CYS G Protein S 2 FT #SUB 634 639 VAL H 477 482 PHE G Protein A 4 FT #SUB 635 640 MET H 476 481 GLU G Protein S 2 FT #SUB 635 640 MET H 477 482 PHE G Protein A 3 FT #SUB 635 640 MET H 480 485 LYS G Protein A 8 FT #SUB 636 641 PHE H 480 485 LYS G Protein B 1 FT #SUB 638 643 GLN H 477 482 PHE G Protein S 4 FT #SUB 638 643 GLN H 480 485 LYS G Protein S 4 FT #SUB 638 643 GLN H 481 486 SER G Protein S 9 FT #SUB 638 643 GLN H 484 489 LEU G Protein S 2 FT #SUB 641 646 ARG H 477 482 PHE G Protein S 2 FT #SUB 641 646 ARG H 642 647 GLN G Protein B 1 FT #SUB 642 647 GLN H 481 486 SER G Protein S 9 FT #SUB 642 647 GLN H 484 489 LEU G Protein S 6 FT #SUB 642 647 GLN H 485 490 ASP G Protein S 8 FT #SUB 642 647 GLN H 641 646 ARG G Protein S 1 FT #SUB 643 648 LYS H 484 489 LEU G Protein S 3 FT #SUB 643 648 LYS H 488 493 ARG G Protein A 5 FT #SUB 645 650 ILE H 645 650 ILE G Protein S 2 FT #SUB 646 651 TRP H 485 490 ASP G Protein S 10 FT #SUB 646 651 TRP H 488 493 ARG G Protein S 8 FT #SUB 646 651 TRP H 489 494 TYR G Protein S 4 FT #SUB 646 651 TRP H 492 497 GLN G Protein S 6 FT #SUB 649 654 LEU H 492 497 GLN G Protein S 3 FT #SUB 649 654 LEU H 497 502 ILE G Protein S 2 FT #SUB 649 654 LEU H 649 654 LEU G Protein S 1 FT #SUB 650 655 LYS H 492 497 GLN G Protein S 4 FT #SUB 650 655 LYS H 496 501 GLY G Protein S 5 FT #SUB 652 657 ALA H 652 657 ALA G Protein A 5 FT #SUB 652 657 ALA H 655 660 GLN G Protein B 1 FT #SUB 653 658 CYS H 495 500 TYR G Protein A 2 FT #SUB 653 658 CYS H 496 501 GLY G Protein S 2 FT #SUB 653 658 CYS H 497 502 ILE G Protein S 1 FT #SUB 655 660 GLN H 652 657 ALA G Protein S 1 FT #SUB 655 660 GLN H 655 660 GLN G Protein A 2 FT #SUB 228 233 LYS H 223 228 PHE J Protein S 4 FT #SUB 243 248 MET H 178 183 GLY J Protein S 1 FT #SUB 243 248 MET H 179 184 THR J Protein S 3 FT #SUB 244 249 SER H 179 184 THR J Protein A 2 FT #SUB 244 249 SER H 180 185 LEU J Protein S 2 FT #SUB 244 249 SER H 221 226 GLN J Protein B 1 FT #SUB 244 249 SER H 222 227 PRO J Protein A 6 FT #SUB 244 249 SER H 223 228 PHE J Protein B 1 FT #SUB 245 250 GLY H 221 226 GLN J Protein B 6 FT #SUB 245 250 GLY H 223 228 PHE J Protein B 5 FT #SUB 246 251 GLU H 222 227 PRO J Protein S 2 FT #SUB 246 251 GLU H 223 228 PHE J Protein S 2 FT #SUB 248 253 ARG H 176 181 PHE J Protein S 6 FT #SUB 397 402 SER H 21 26 PHE J Protein S 2 FT #SUB 398 403 LEU H 21 26 PHE J Protein S 2 FT #SUB 400 405 ASP H 20 25 GLY J Protein S 2 FT #SUB 400 405 ASP H 21 26 PHE J Protein S 1 FT #SUB 403 408 ASN H 20 25 GLY J Protein S 2 FT #SUB 403 408 ASN H 21 26 PHE J Protein S 7 FT #SUB 403 408 ASN H 22 27 GLY J Protein S 4 FT #SUB 406 411 VAL H 15 20 ARG J Protein B 3 FT #SUB 407 412 GLN H 15 20 ARG J Protein A 9 FT #SUB 407 412 GLN H 16 21 LEU J Protein A 7 FT #SUB 407 412 GLN H 17 22 GLY J Protein S 1 FT #SUB 407 412 GLN H 22 27 GLY J Protein S 4 FT #SUB 407 412 GLN H 23 28 ASN J Protein S 4 FT #SUB 407 412 GLN H 24 29 VAL J Protein S 1 FT #SUB 408 413 ASP H 16 21 LEU J Protein B 1 FT #SUB 412 417 GLN H 568 573 HIS J Protein S 2 FT #SUB 416 421 ILE H 221 226 GLN J Protein S 1 FT #SUB 569 574 ARG H 570 575 PRO J Protein S 2 FT #SUB 569 574 ARG H 571 576 SER J Protein S 2 FT #SUB 570 575 PRO H 570 575 PRO J Protein B 1 FT #SUB 570 575 PRO H 571 576 SER J Protein B 2 FT #SUB 571 576 SER H 571 576 SER J Protein B 4 FT #SUB 572 577 ASP H 571 576 SER J Protein B 2 FT #SUB 573 578 HIS H 573 578 HIS J Protein B 4 FT #SUB 574 579 SER H 572 577 ASP J Protein S 10 FT #SUB 574 579 SER H 573 578 HIS J Protein S 11 FT #SUB 575 580 TYR H 571 576 SER J Protein S 2 FT #SUB 1 6 ASP H 589 594 VAL L Protein S 2 FT #SUB 15 20 ARG H 406 411 VAL L Protein S 3 FT #SUB 15 20 ARG H 407 412 GLN L Protein A 11 FT #SUB 15 20 ARG H 409 414 SER L Protein S 1 FT #SUB 16 21 LEU H 407 412 GLN L Protein B 7 FT #SUB 16 21 LEU H 408 413 ASP L Protein B 2 FT #SUB 21 26 PHE H 398 403 LEU L Protein S 2 FT #SUB 21 26 PHE H 400 405 ASP L Protein B 1 FT #SUB 21 26 PHE H 403 408 ASN L Protein A 10 FT #SUB 22 27 GLY H 403 408 ASN L Protein B 3 FT #SUB 22 27 GLY H 407 412 GLN L Protein B 7 FT #SUB 23 28 ASN H 407 412 GLN L Protein A 6 FT #SUB 176 181 PHE H 248 253 ARG L Protein S 9 FT #SUB 178 183 GLY H 243 248 MET L Protein B 1 FT #SUB 179 184 THR H 243 248 MET L Protein B 3 FT #SUB 180 185 LEU H 244 249 SER L Protein A 4 FT #SUB 221 226 GLN H 244 249 SER L Protein S 1 FT #SUB 221 226 GLN H 245 250 GLY L Protein S 8 FT #SUB 222 227 PRO H 244 249 SER L Protein A 8 FT #SUB 222 227 PRO H 246 251 GLU L Protein B 2 FT #SUB 223 228 PHE H 244 249 SER L Protein B 1 FT #SUB 223 228 PHE H 245 250 GLY L Protein S 4 FT #SUB 223 228 PHE H 246 251 GLU L Protein A 8 FT #SUB 223 228 PHE H 247 252 VAL L Protein S 2 FT #SUB 568 573 HIS H 412 417 GLN L Protein S 2 FT #SUB 570 575 PRO H 569 574 ARG L Protein S 2 FT #SUB 570 575 PRO H 570 575 PRO L Protein A 4 FT #SUB 571 576 SER H 571 576 SER L Protein S 4 FT #SUB 571 576 SER H 572 577 ASP L Protein S 8 FT #SUB 571 576 SER H 575 580 TYR L Protein A 5 FT #SUB 572 577 ASP H 574 579 SER L Protein A 9 FT #SUB 573 578 HIS H 573 578 HIS L Protein S 4 FT #SUB 573 578 HIS H 574 579 SER L Protein A 11 FT #HET 16 21 LEU H 108 701 5TL H S 15 FT #HET 18 23 THR H 108 701 5TL H A 5 FT #HET 24 29 VAL H 108 701 5TL H S 3 FT #HET 37 42 ALA H 108 701 5TL H S 1 FT #HET 90 95 MET H 108 701 5TL H S 3 FT #HET 91 96 GLU H 108 701 5TL H B 4 FT #HET 92 97 TYR H 108 701 5TL H A 6 FT #HET 93 98 CYS H 108 701 5TL H B 2 FT #HET 96 101 GLY H 108 701 5TL H B 2 FT #HET 97 102 ASP H 108 701 5TL H A 8 FT #HET 100 105 LYS H 71 2 GLC f S 4 FT #HET 104 109 LYS H 72 3 PDX f S 1 FT #HET 146 151 VAL H 108 701 5TL H S 5 FT #HET 159 164 ILE H 108 701 5TL H S 3 FT #HET 160 165 ASP H 108 701 5TL H S 8 FT #HET 410 415 LYS H 67 1 5LS e S 1 FT #HET 444 449 ARG H 57 1 5LS c S 9 FT #HET 444 449 ARG H 58 2 5TJ c S 4 FT #HET 546 551 ARG H 58 2 5TJ c S 2 FT #HET 547 552 ARG H 58 2 5TJ c S 8 FT #HET 558 563 ARG H 65 2 GLC d S 7 FT #HET 583 588 LYS H 65 2 GLC d S 1 FT #HET 587 592 HIS H 64 1 5LS d S 2 FT #HET 587 592 HIS H 65 2 GLC d S 8 FT #HET 587 592 HIS H 66 3 PDX d A 6 FT #HET 590 595 GLN H 66 3 PDX d S 8 CC SEQUENCE 655 AA (ATOM); CC DPEFGAGGPW EMRERLGTGG FGNVCLYQHR ELDLKIAIKS CRLELSTKNR ERWCHEIQIM CC KKLNHANVVK ACDVPEELNI LIHDVPLLAM EYCSGGDLRK LLNKPENCCG LKESQILSLL CC SDIGSGIRYL HENKIIHRDL KPENIVLQDV GGKIIHKIID LGYAKDVDQG ELCTEFVGTL CC QYLAPELFEN KPYTATVDYW SFGTMVFECI AGYRPFLHHL QPFTWHEKIK KKDPKCIFAC CC EEMSGEVRFS SHLPQPNSLC SLIVEPMENW LQLMLNWDPQ QRGGPVDLTL KQPRCFVLMD CC HILNLKIVHI LNMTSAKIIS FLLPPDESLH SLQSRIERET GINTGSQELL SETGISLDPR CC KPASQCVLDG VRGCDSYMVY LFDKSKTVYE GPFASRSLSD CVNYIVQDSK IQLPIIQLRK CC VWAEAVHYVS GLKEDYSRLF QGQRAAMLSL LRYNANLTKM KNTLISASQQ LKAKLEFFHK CC SIQLDLERYS EQMTYGISSE KMLKAWKEME EKAIHYAEVG VIGYLEDQIM SLHAEIMELQ CC KSPYGRRQGD LMESLEQRAI DLYKQLKHRP SDHSYSDSTE MVKIIVHTVQ SQDRVLKELF CC GHLSKLLGCK QKIIDLLPKV EVALSNIKEA DNTVMFMQGK RQKEIWHLLK IACTQ CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES DPEFGAGGPWEMRERLGTGGFGNVCLYQHRELDLKIAIKSCRLELSTKNR CC ATOM DPEFGAGGPWEMRERLGTGGFGNVCLYQHRELDLKIAIKSCRLELSTKNR CC ************************************************** CC SEQRES ERWCHEIQIMKKLNHANVVKACDVPEELNILIHDVPLLAMEYCSGGDLRK CC ATOM ERWCHEIQIMKKLNHANVVKACDVPEELNILIHDVPLLAMEYCSGGDLRK CC ************************************************** CC SEQRES LLNKPENCCGLKESQILSLLSDIGSGIRYLHENKIIHRDLKPENIVLQDV CC ATOM LLNKPENCCGLKESQILSLLSDIGSGIRYLHENKIIHRDLKPENIVLQDV CC ************************************************** CC SEQRES GGKIIHKIIDLGYAKDVDQGELCTEFVGTLQYLAPELFENKPYTATVDYW CC ATOM GGKIIHKIIDLGYAKDVDQGELCTEFVGTLQYLAPELFENKPYTATVDYW CC ************************************************** CC SEQRES SFGTMVFECIAGYRPFLHHLQPFTWHEKIKKKDPKCIFACEEMSGEVRFS CC ATOM SFGTMVFECIAGYRPFLHHLQPFTWHEKIKKKDPKCIFACEEMSGEVRFS CC ************************************************** CC SEQRES SHLPQPNSLCSLIVEPMENWLQLMLNWDPQQRGGPVDLTLKQPRCFVLMD CC ATOM SHLPQPNSLCSLIVEPMENWLQLMLNWDPQQRGGPVDLTLKQPRCFVLMD CC ************************************************** CC SEQRES HILNLKIVHILNMTSAKIISFLLPPDESLHSLQSRIERETGINTGSQELL CC ATOM HILNLKIVHILNMTSAKIISFLLPPDESLHSLQSRIERETGINTGSQELL CC ************************************************** CC SEQRES SETGISLDPRKPASQCVLDGVRGCDSYMVYLFDKSKTVYEGPFASRSLSD CC ATOM SETGISLDPRKPASQCVLDGVRGCDSYMVYLFDKSKTVYEGPFASRSLSD CC ************************************************** CC SEQRES CVNYIVQDSKIQLPIIQLRKVWAEAVHYVSGLKEDYSRLFQGQRAAMLSL CC ATOM CVNYIVQDSKIQLPIIQLRKVWAEAVHYVSGLKEDYSRLFQGQRAAMLSL CC ************************************************** CC SEQRES LRYNANLTKMKNTLISASQQLKAKLEFFHKSIQLDLERYSEQMTYGISSE CC ATOM LRYNANLTKMKNTLISASQQLKAKLEFFHKSIQLDLERYSEQMTYGISSE CC ************************************************** CC SEQRES KMLKAWKEMEEKAIHYAEVGVIGYLEDQIMSLHAEIMELQKSPYGRRQGD CC ATOM KMLKAWKEMEEKAIHYAEVGVIGYLEDQIMSLHAEIMELQKSPYGRRQGD CC ************************************************** CC SEQRES LMESLEQRAIDLYKQLKHRPSDHSYSDSTEMVKIIVHTVQSQDRVLKELF CC ATOM LMESLEQRAIDLYKQLKHRPSDHSYSDSTEMVKIIVHTVQSQDRVLKELF CC ************************************************** CC SEQRES GHLSKLLGCKQKIIDLLPKVEVALSNIKEADNTVMFMQGKRQKEIWHLLK CC ATOM GHLSKLLGCKQKIIDLLPKVEVALSNIKEADNTVMFMQGKRQKEIWHLLK CC ************************************************** CC SEQRES IACTQ CC ATOM IACTQ CC ***** SQ SEQUENCE 655 AA; MW; CN; DPEFGAGGPW EMRERLGTGG FGNVCLYQHR ELDLKIAIKS CRLELSTKNR ERWCHEIQIM KKLNHANVVK ACDVPEELNI LIHDVPLLAM EYCSGGDLRK LLNKPENCCG LKESQILSLL SDIGSGIRYL HENKIIHRDL KPENIVLQDV GGKIIHKIID LGYAKDVDQG ELCTEFVGTL QYLAPELFEN KPYTATVDYW SFGTMVFECI AGYRPFLHHL QPFTWHEKIK KKDPKCIFAC EEMSGEVRFS SHLPQPNSLC SLIVEPMENW LQLMLNWDPQ QRGGPVDLTL KQPRCFVLMD HILNLKIVHI LNMTSAKIIS FLLPPDESLH SLQSRIERET GINTGSQELL SETGISLDPR KPASQCVLDG VRGCDSYMVY LFDKSKTVYE GPFASRSLSD CVNYIVQDSK IQLPIIQLRK VWAEAVHYVS GLKEDYSRLF QGQRAAMLSL LRYNANLTKM KNTLISASQQ LKAKLEFFHK SIQLDLERYS EQMTYGISSE KMLKAWKEME EKAIHYAEVG VIGYLEDQIM SLHAEIMELQ KSPYGRRQGD LMESLEQRAI DLYKQLKHRP SDHSYSDSTE MVKIIVHTVQ SQDRVLKELF GHLSKLLGCK QKIIDLLPKV EVALSNIKEA DNTVMFMQGK RQKEIWHLLK IACTQ // ID 5EBZI STANDARD; PRT; 655 AA. DT CONVERTED FROM PDB (SEQRES) 5EBZ DE Inhibitor of nuclear factor kappa-B kinase subunit alpha OS Homo sapiens CC EXPDTA X-RAY DIFFRACTION CC RESOLU 4.500 CC R-Factor 0.238 FT #SUB 228 233 LYS I 223 228 PHE G Protein S 4 FT #SUB 243 248 MET I 177 182 VAL G Protein S 1 FT #SUB 243 248 MET I 178 183 GLY G Protein S 2 FT #SUB 243 248 MET I 179 184 THR G Protein A 11 FT #SUB 244 249 SER I 179 184 THR G Protein A 3 FT #SUB 244 249 SER I 180 185 LEU G Protein S 1 FT #SUB 244 249 SER I 222 227 PRO G Protein A 7 FT #SUB 244 249 SER I 223 228 PHE G Protein B 2 FT #SUB 245 250 GLY I 221 226 GLN G Protein B 1 FT #SUB 245 250 GLY I 223 228 PHE G Protein B 3 FT #SUB 246 251 GLU I 223 228 PHE G Protein S 5 FT #SUB 248 253 ARG I 176 181 PHE G Protein S 3 FT #SUB 397 402 SER I 21 26 PHE G Protein S 2 FT #SUB 398 403 LEU I 21 26 PHE G Protein S 2 FT #SUB 403 408 ASN I 20 25 GLY G Protein S 1 FT #SUB 403 408 ASN I 21 26 PHE G Protein S 8 FT #SUB 403 408 ASN I 22 27 GLY G Protein S 1 FT #SUB 406 411 VAL I 15 20 ARG G Protein B 2 FT #SUB 407 412 GLN I 15 20 ARG G Protein A 5 FT #SUB 407 412 GLN I 16 21 LEU G Protein A 6 FT #SUB 407 412 GLN I 17 22 GLY G Protein S 1 FT #SUB 407 412 GLN I 22 27 GLY G Protein S 6 FT #SUB 407 412 GLN I 23 28 ASN G Protein S 8 FT #SUB 408 413 ASP I 16 21 LEU G Protein B 1 FT #SUB 412 417 GLN I 568 573 HIS G Protein S 2 FT #SUB 569 574 ARG I 570 575 PRO G Protein S 2 FT #SUB 570 575 PRO I 570 575 PRO G Protein B 1 FT #SUB 571 576 SER I 571 576 SER G Protein A 5 FT #SUB 572 577 ASP I 571 576 SER G Protein B 8 FT #SUB 573 578 HIS I 573 578 HIS G Protein B 2 FT #SUB 574 579 SER I 571 576 SER G Protein S 1 FT #SUB 574 579 SER I 572 577 ASP G Protein S 8 FT #SUB 574 579 SER I 573 578 HIS G Protein S 7 FT #SUB 575 580 TYR I 571 576 SER G Protein A 5 FT #SUB 466 471 SER I 469 474 GLN J Protein A 5 FT #SUB 469 474 GLN I 466 471 SER J Protein S 4 FT #SUB 469 474 GLN I 469 474 GLN J Protein S 1 FT #SUB 470 475 GLN I 469 474 GLN J Protein S 1 FT #SUB 470 475 GLN I 473 478 ALA J Protein A 3 FT #SUB 473 478 ALA I 470 475 GLN J Protein S 3 FT #SUB 473 478 ALA I 473 478 ALA J Protein S 1 FT #SUB 473 478 ALA I 474 479 LYS J Protein B 3 FT #SUB 474 479 LYS I 473 478 ALA J Protein S 4 FT #SUB 474 479 LYS I 476 481 GLU J Protein S 5 FT #SUB 474 479 LYS I 477 482 PHE J Protein S 2 FT #SUB 476 481 GLU I 474 479 LYS J Protein S 3 FT #SUB 476 481 GLU I 635 640 MET J Protein S 1 FT #SUB 477 482 PHE I 474 479 LYS J Protein A 3 FT #SUB 477 482 PHE I 477 482 PHE J Protein A 11 FT #SUB 477 482 PHE I 634 639 VAL J Protein S 3 FT #SUB 477 482 PHE I 635 640 MET J Protein S 4 FT #SUB 477 482 PHE I 638 643 GLN J Protein A 4 FT #SUB 477 482 PHE I 641 646 ARG J Protein S 2 FT #SUB 478 483 PHE I 477 482 PHE J Protein S 1 FT #SUB 480 485 LYS I 635 640 MET J Protein S 6 FT #SUB 480 485 LYS I 636 641 PHE J Protein S 2 FT #SUB 480 485 LYS I 638 643 GLN J Protein S 3 FT #SUB 481 486 SER I 638 643 GLN J Protein S 8 FT #SUB 481 486 SER I 642 647 GLN J Protein A 9 FT #SUB 484 489 LEU I 638 643 GLN J Protein S 1 FT #SUB 484 489 LEU I 642 647 GLN J Protein S 6 FT #SUB 484 489 LEU I 643 648 LYS J Protein S 3 FT #SUB 485 490 ASP I 642 647 GLN J Protein S 8 FT #SUB 485 490 ASP I 646 651 TRP J Protein A 12 FT #SUB 488 493 ARG I 643 648 LYS J Protein S 1 FT #SUB 488 493 ARG I 646 651 TRP J Protein A 9 FT #SUB 489 494 TYR I 646 651 TRP J Protein A 4 FT #SUB 492 497 GLN I 646 651 TRP J Protein S 6 FT #SUB 492 497 GLN I 649 654 LEU J Protein S 3 FT #SUB 492 497 GLN I 650 655 LYS J Protein S 5 FT #SUB 495 500 TYR I 653 658 CYS J Protein B 1 FT #SUB 496 501 GLY I 650 655 LYS J Protein B 3 FT #SUB 496 501 GLY I 653 658 CYS J Protein B 5 FT #SUB 497 502 ILE I 649 654 LEU J Protein S 5 FT #SUB 497 502 ILE I 653 658 CYS J Protein A 3 FT #SUB 634 639 VAL I 477 482 PHE J Protein B 2 FT #SUB 635 640 MET I 476 481 GLU J Protein S 3 FT #SUB 635 640 MET I 477 482 PHE J Protein A 3 FT #SUB 635 640 MET I 480 485 LYS J Protein A 6 FT #SUB 636 641 PHE I 480 485 LYS J Protein A 2 FT #SUB 638 643 GLN I 477 482 PHE J Protein S 5 FT #SUB 638 643 GLN I 480 485 LYS J Protein S 3 FT #SUB 638 643 GLN I 481 486 SER J Protein S 8 FT #SUB 638 643 GLN I 484 489 LEU J Protein S 1 FT #SUB 641 646 ARG I 477 482 PHE J Protein S 2 FT #SUB 641 646 ARG I 642 647 GLN J Protein B 1 FT #SUB 642 647 GLN I 481 486 SER J Protein S 9 FT #SUB 642 647 GLN I 484 489 LEU J Protein S 6 FT #SUB 642 647 GLN I 485 490 ASP J Protein S 5 FT #SUB 642 647 GLN I 641 646 ARG J Protein S 1 FT #SUB 643 648 LYS I 484 489 LEU J Protein S 3 FT #SUB 643 648 LYS I 488 493 ARG J Protein B 1 FT #SUB 645 650 ILE I 645 650 ILE J Protein S 1 FT #SUB 646 651 TRP I 485 490 ASP J Protein S 10 FT #SUB 646 651 TRP I 488 493 ARG J Protein S 9 FT #SUB 646 651 TRP I 489 494 TYR J Protein S 2 FT #SUB 646 651 TRP I 492 497 GLN J Protein S 6 FT #SUB 649 654 LEU I 492 497 GLN J Protein S 2 FT #SUB 649 654 LEU I 497 502 ILE J Protein S 2 FT #SUB 649 654 LEU I 649 654 LEU J Protein S 1 FT #SUB 650 655 LYS I 492 497 GLN J Protein S 5 FT #SUB 650 655 LYS I 496 501 GLY J Protein S 2 FT #SUB 652 657 ALA I 652 657 ALA J Protein A 4 FT #SUB 652 657 ALA I 655 660 GLN J Protein B 1 FT #SUB 653 658 CYS I 495 500 TYR J Protein B 1 FT #SUB 653 658 CYS I 496 501 GLY J Protein S 6 FT #SUB 653 658 CYS I 497 502 ILE J Protein S 1 FT #SUB 655 660 GLN I 652 657 ALA J Protein S 1 FT #SUB 15 20 ARG I 406 411 VAL K Protein S 2 FT #SUB 15 20 ARG I 407 412 GLN K Protein S 6 FT #SUB 16 21 LEU I 407 412 GLN K Protein B 5 FT #SUB 16 21 LEU I 408 413 ASP K Protein B 1 FT #SUB 21 26 PHE I 397 402 SER K Protein S 1 FT #SUB 21 26 PHE I 398 403 LEU K Protein S 1 FT #SUB 21 26 PHE I 400 405 ASP K Protein B 1 FT #SUB 21 26 PHE I 403 408 ASN K Protein A 6 FT #SUB 22 27 GLY I 403 408 ASN K Protein B 1 FT #SUB 22 27 GLY I 407 412 GLN K Protein B 5 FT #SUB 23 28 ASN I 407 412 GLN K Protein A 3 FT #SUB 176 181 PHE I 248 253 ARG K Protein S 2 FT #SUB 178 183 GLY I 243 248 MET K Protein B 1 FT #SUB 178 183 GLY I 404 409 TYR K Protein B 2 FT #SUB 179 184 THR I 243 248 MET K Protein A 9 FT #SUB 179 184 THR I 244 249 SER K Protein A 2 FT #SUB 180 185 LEU I 244 249 SER K Protein B 2 FT #SUB 221 226 GLN I 245 250 GLY K Protein S 4 FT #SUB 222 227 PRO I 244 249 SER K Protein A 7 FT #SUB 223 228 PHE I 228 233 LYS K Protein S 2 FT #SUB 223 228 PHE I 244 249 SER K Protein A 2 FT #SUB 223 228 PHE I 245 250 GLY K Protein S 5 FT #SUB 223 228 PHE I 246 251 GLU K Protein A 13 FT #SUB 223 228 PHE I 247 252 VAL K Protein S 2 FT #SUB 568 573 HIS I 412 417 GLN K Protein S 2 FT #SUB 570 575 PRO I 569 574 ARG K Protein A 6 FT #SUB 570 575 PRO I 570 575 PRO K Protein B 1 FT #SUB 571 576 SER I 569 574 ARG K Protein S 2 FT #SUB 571 576 SER I 570 575 PRO K Protein S 2 FT #SUB 571 576 SER I 571 576 SER K Protein S 5 FT #SUB 571 576 SER I 572 577 ASP K Protein S 5 FT #SUB 571 576 SER I 575 580 TYR K Protein A 11 FT #SUB 572 577 ASP I 572 577 ASP K Protein B 1 FT #SUB 572 577 ASP I 574 579 SER K Protein A 11 FT #SUB 573 578 HIS I 573 578 HIS K Protein S 5 FT #SUB 573 578 HIS I 574 579 SER K Protein A 15 FT #HET 16 21 LEU I 109 701 5TL I S 17 FT #HET 17 22 GLY I 109 701 5TL I B 1 FT #HET 18 23 THR I 109 701 5TL I A 5 FT #HET 24 29 VAL I 109 701 5TL I S 4 FT #HET 37 42 ALA I 109 701 5TL I S 1 FT #HET 90 95 MET I 109 701 5TL I S 3 FT #HET 91 96 GLU I 109 701 5TL I B 4 FT #HET 92 97 TYR I 109 701 5TL I A 9 FT #HET 93 98 CYS I 109 701 5TL I B 2 FT #HET 94 99 SER I 73 1 5LS g B 1 FT #HET 96 101 GLY I 73 1 5LS g B 2 FT #HET 96 101 GLY I 109 701 5TL I B 1 FT #HET 97 102 ASP I 109 701 5TL I A 5 FT #HET 100 105 LYS I 73 1 5LS g S 1 FT #HET 104 109 LYS I 75 3 PDX g S 5 FT #HET 105 110 PRO I 75 3 PDX g S 4 FT #HET 106 111 GLU I 75 3 PDX g S 4 FT #HET 146 151 VAL I 109 701 5TL I S 5 FT #HET 159 164 ILE I 109 701 5TL I S 4 FT #HET 160 165 ASP I 109 701 5TL I S 8 FT #HET 440 445 PHE I 85 7 5TH i S 2 FT #HET 444 449 ARG I 85 7 5TH i S 5 FT #HET 546 551 ARG I 85 7 5TH i S 2 FT #HET 547 552 ARG I 82 4 5TJ i S 3 FT #HET 547 552 ARG I 85 7 5TH i S 4 FT #HET 555 560 LEU I 77 2 GLC h S 1 FT #HET 558 563 ARG I 77 2 GLC h S 10 FT #HET 587 592 HIS I 77 2 GLC h S 17 FT #HET 587 592 HIS I 78 3 PDX h B 3 FT #HET 590 595 GLN I 78 3 PDX h A 6 FT #HET 591 596 SER I 78 3 PDX h A 3 FT #HET 594 599 ARG I 78 3 PDX h S 1 CC SEQUENCE 655 AA (ATOM); CC DPEFGAGGPW EMRERLGTGG FGNVCLYQHR ELDLKIAIKS CRLELSTKNR ERWCHEIQIM CC KKLNHANVVK ACDVPEELNI LIHDVPLLAM EYCSGGDLRK LLNKPENCCG LKESQILSLL CC SDIGSGIRYL HENKIIHRDL KPENIVLQDV GGKIIHKIID LGYAKDVDQG ELCTEFVGTL CC QYLAPELFEN KPYTATVDYW SFGTMVFECI AGYRPFLHHL QPFTWHEKIK KKDPKCIFAC CC EEMSGEVRFS SHLPQPNSLC SLIVEPMENW LQLMLNWDPQ QRGGPVDLTL KQPRCFVLMD CC HILNLKIVHI LNMTSAKIIS FLLPPDESLH SLQSRIERET GINTGSQELL SETGISLDPR CC KPASQCVLDG VRGCDSYMVY LFDKSKTVYE GPFASRSLSD CVNYIVQDSK IQLPIIQLRK CC VWAEAVHYVS GLKEDYSRLF QGQRAAMLSL LRYNANLTKM KNTLISASQQ LKAKLEFFHK CC SIQLDLERYS EQMTYGISSE KMLKAWKEME EKAIHYAEVG VIGYLEDQIM SLHAEIMELQ CC KSPYGRRQGD LMESLEQRAI DLYKQLKHRP SDHSYSDSTE MVKIIVHTVQ SQDRVLKELF CC GHLSKLLGCK QKIIDLLPKV EVALSNIKEA DNTVMFMQGK RQKEIWHLLK IACTQ CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES DPEFGAGGPWEMRERLGTGGFGNVCLYQHRELDLKIAIKSCRLELSTKNR CC ATOM DPEFGAGGPWEMRERLGTGGFGNVCLYQHRELDLKIAIKSCRLELSTKNR CC ************************************************** CC SEQRES ERWCHEIQIMKKLNHANVVKACDVPEELNILIHDVPLLAMEYCSGGDLRK CC ATOM ERWCHEIQIMKKLNHANVVKACDVPEELNILIHDVPLLAMEYCSGGDLRK CC ************************************************** CC SEQRES LLNKPENCCGLKESQILSLLSDIGSGIRYLHENKIIHRDLKPENIVLQDV CC ATOM LLNKPENCCGLKESQILSLLSDIGSGIRYLHENKIIHRDLKPENIVLQDV CC ************************************************** CC SEQRES GGKIIHKIIDLGYAKDVDQGELCTEFVGTLQYLAPELFENKPYTATVDYW CC ATOM GGKIIHKIIDLGYAKDVDQGELCTEFVGTLQYLAPELFENKPYTATVDYW CC ************************************************** CC SEQRES SFGTMVFECIAGYRPFLHHLQPFTWHEKIKKKDPKCIFACEEMSGEVRFS CC ATOM SFGTMVFECIAGYRPFLHHLQPFTWHEKIKKKDPKCIFACEEMSGEVRFS CC ************************************************** CC SEQRES SHLPQPNSLCSLIVEPMENWLQLMLNWDPQQRGGPVDLTLKQPRCFVLMD CC ATOM SHLPQPNSLCSLIVEPMENWLQLMLNWDPQQRGGPVDLTLKQPRCFVLMD CC ************************************************** CC SEQRES HILNLKIVHILNMTSAKIISFLLPPDESLHSLQSRIERETGINTGSQELL CC ATOM HILNLKIVHILNMTSAKIISFLLPPDESLHSLQSRIERETGINTGSQELL CC ************************************************** CC SEQRES SETGISLDPRKPASQCVLDGVRGCDSYMVYLFDKSKTVYEGPFASRSLSD CC ATOM SETGISLDPRKPASQCVLDGVRGCDSYMVYLFDKSKTVYEGPFASRSLSD CC ************************************************** CC SEQRES CVNYIVQDSKIQLPIIQLRKVWAEAVHYVSGLKEDYSRLFQGQRAAMLSL CC ATOM CVNYIVQDSKIQLPIIQLRKVWAEAVHYVSGLKEDYSRLFQGQRAAMLSL CC ************************************************** CC SEQRES LRYNANLTKMKNTLISASQQLKAKLEFFHKSIQLDLERYSEQMTYGISSE CC ATOM LRYNANLTKMKNTLISASQQLKAKLEFFHKSIQLDLERYSEQMTYGISSE CC ************************************************** CC SEQRES KMLKAWKEMEEKAIHYAEVGVIGYLEDQIMSLHAEIMELQKSPYGRRQGD CC ATOM KMLKAWKEMEEKAIHYAEVGVIGYLEDQIMSLHAEIMELQKSPYGRRQGD CC ************************************************** CC SEQRES LMESLEQRAIDLYKQLKHRPSDHSYSDSTEMVKIIVHTVQSQDRVLKELF CC ATOM LMESLEQRAIDLYKQLKHRPSDHSYSDSTEMVKIIVHTVQSQDRVLKELF CC ************************************************** CC SEQRES GHLSKLLGCKQKIIDLLPKVEVALSNIKEADNTVMFMQGKRQKEIWHLLK CC ATOM GHLSKLLGCKQKIIDLLPKVEVALSNIKEADNTVMFMQGKRQKEIWHLLK CC ************************************************** CC SEQRES IACTQ CC ATOM IACTQ CC ***** SQ SEQUENCE 655 AA; MW; CN; DPEFGAGGPW EMRERLGTGG FGNVCLYQHR ELDLKIAIKS CRLELSTKNR ERWCHEIQIM KKLNHANVVK ACDVPEELNI LIHDVPLLAM EYCSGGDLRK LLNKPENCCG LKESQILSLL SDIGSGIRYL HENKIIHRDL KPENIVLQDV GGKIIHKIID LGYAKDVDQG ELCTEFVGTL QYLAPELFEN KPYTATVDYW SFGTMVFECI AGYRPFLHHL QPFTWHEKIK KKDPKCIFAC EEMSGEVRFS SHLPQPNSLC SLIVEPMENW LQLMLNWDPQ QRGGPVDLTL KQPRCFVLMD HILNLKIVHI LNMTSAKIIS FLLPPDESLH SLQSRIERET GINTGSQELL SETGISLDPR KPASQCVLDG VRGCDSYMVY LFDKSKTVYE GPFASRSLSD CVNYIVQDSK IQLPIIQLRK VWAEAVHYVS GLKEDYSRLF QGQRAAMLSL LRYNANLTKM KNTLISASQQ LKAKLEFFHK SIQLDLERYS EQMTYGISSE KMLKAWKEME EKAIHYAEVG VIGYLEDQIM SLHAEIMELQ KSPYGRRQGD LMESLEQRAI DLYKQLKHRP SDHSYSDSTE MVKIIVHTVQ SQDRVLKELF GHLSKLLGCK QKIIDLLPKV EVALSNIKEA DNTVMFMQGK RQKEIWHLLK IACTQ // ID 5EBZJ STANDARD; PRT; 655 AA. DT CONVERTED FROM PDB (SEQRES) 5EBZ DE Inhibitor of nuclear factor kappa-B kinase subunit alpha OS Homo sapiens CC EXPDTA X-RAY DIFFRACTION CC RESOLU 4.500 CC R-Factor 0.238 FT #SUB 15 20 ARG J 406 411 VAL H Protein S 3 FT #SUB 15 20 ARG J 407 412 GLN H Protein A 9 FT #SUB 16 21 LEU J 407 412 GLN H Protein B 7 FT #SUB 16 21 LEU J 408 413 ASP H Protein B 1 FT #SUB 17 22 GLY J 407 412 GLN H Protein B 1 FT #SUB 20 25 GLY J 400 405 ASP H Protein B 2 FT #SUB 20 25 GLY J 403 408 ASN H Protein B 2 FT #SUB 21 26 PHE J 397 402 SER H Protein S 2 FT #SUB 21 26 PHE J 398 403 LEU H Protein S 2 FT #SUB 21 26 PHE J 400 405 ASP H Protein B 1 FT #SUB 21 26 PHE J 403 408 ASN H Protein A 7 FT #SUB 22 27 GLY J 403 408 ASN H Protein B 4 FT #SUB 22 27 GLY J 407 412 GLN H Protein B 4 FT #SUB 23 28 ASN J 407 412 GLN H Protein A 4 FT #SUB 24 29 VAL J 407 412 GLN H Protein B 1 FT #SUB 176 181 PHE J 248 253 ARG H Protein S 6 FT #SUB 178 183 GLY J 243 248 MET H Protein B 1 FT #SUB 179 184 THR J 243 248 MET H Protein A 3 FT #SUB 179 184 THR J 244 249 SER H Protein B 2 FT #SUB 180 185 LEU J 244 249 SER H Protein A 2 FT #SUB 221 226 GLN J 244 249 SER H Protein S 1 FT #SUB 221 226 GLN J 245 250 GLY H Protein S 6 FT #SUB 221 226 GLN J 416 421 ILE H Protein S 1 FT #SUB 222 227 PRO J 244 249 SER H Protein A 6 FT #SUB 222 227 PRO J 246 251 GLU H Protein B 2 FT #SUB 223 228 PHE J 228 233 LYS H Protein S 4 FT #SUB 223 228 PHE J 244 249 SER H Protein B 1 FT #SUB 223 228 PHE J 245 250 GLY H Protein S 5 FT #SUB 223 228 PHE J 246 251 GLU H Protein B 2 FT #SUB 568 573 HIS J 412 417 GLN H Protein S 2 FT #SUB 570 575 PRO J 569 574 ARG H Protein A 2 FT #SUB 570 575 PRO J 570 575 PRO H Protein B 1 FT #SUB 571 576 SER J 569 574 ARG H Protein S 2 FT #SUB 571 576 SER J 570 575 PRO H Protein S 2 FT #SUB 571 576 SER J 571 576 SER H Protein S 4 FT #SUB 571 576 SER J 572 577 ASP H Protein S 2 FT #SUB 571 576 SER J 575 580 TYR H Protein A 2 FT #SUB 572 577 ASP J 574 579 SER H Protein A 10 FT #SUB 573 578 HIS J 573 578 HIS H Protein S 4 FT #SUB 573 578 HIS J 574 579 SER H Protein A 11 FT #SUB 466 471 SER J 469 474 GLN I Protein A 4 FT #SUB 469 474 GLN J 466 471 SER I Protein S 5 FT #SUB 469 474 GLN J 469 474 GLN I Protein S 1 FT #SUB 469 474 GLN J 470 475 GLN I Protein S 1 FT #SUB 470 475 GLN J 473 478 ALA I Protein A 3 FT #SUB 473 478 ALA J 470 475 GLN I Protein S 3 FT #SUB 473 478 ALA J 473 478 ALA I Protein S 1 FT #SUB 473 478 ALA J 474 479 LYS I Protein B 4 FT #SUB 474 479 LYS J 473 478 ALA I Protein S 3 FT #SUB 474 479 LYS J 476 481 GLU I Protein S 3 FT #SUB 474 479 LYS J 477 482 PHE I Protein A 3 FT #SUB 476 481 GLU J 474 479 LYS I Protein S 5 FT #SUB 476 481 GLU J 635 640 MET I Protein S 3 FT #SUB 477 482 PHE J 474 479 LYS I Protein A 2 FT #SUB 477 482 PHE J 477 482 PHE I Protein A 11 FT #SUB 477 482 PHE J 478 483 PHE I Protein S 1 FT #SUB 477 482 PHE J 634 639 VAL I Protein S 2 FT #SUB 477 482 PHE J 635 640 MET I Protein S 3 FT #SUB 477 482 PHE J 638 643 GLN I Protein A 5 FT #SUB 477 482 PHE J 641 646 ARG I Protein S 2 FT #SUB 480 485 LYS J 635 640 MET I Protein S 6 FT #SUB 480 485 LYS J 636 641 PHE I Protein S 2 FT #SUB 480 485 LYS J 638 643 GLN I Protein S 3 FT #SUB 481 486 SER J 638 643 GLN I Protein S 8 FT #SUB 481 486 SER J 642 647 GLN I Protein A 9 FT #SUB 484 489 LEU J 638 643 GLN I Protein S 1 FT #SUB 484 489 LEU J 642 647 GLN I Protein S 6 FT #SUB 484 489 LEU J 643 648 LYS I Protein S 3 FT #SUB 485 490 ASP J 642 647 GLN I Protein S 5 FT #SUB 485 490 ASP J 646 651 TRP I Protein A 10 FT #SUB 488 493 ARG J 643 648 LYS I Protein S 1 FT #SUB 488 493 ARG J 646 651 TRP I Protein A 9 FT #SUB 489 494 TYR J 646 651 TRP I Protein B 2 FT #SUB 492 497 GLN J 646 651 TRP I Protein S 6 FT #SUB 492 497 GLN J 649 654 LEU I Protein S 2 FT #SUB 492 497 GLN J 650 655 LYS I Protein S 5 FT #SUB 495 500 TYR J 653 658 CYS I Protein B 1 FT #SUB 496 501 GLY J 650 655 LYS I Protein B 2 FT #SUB 496 501 GLY J 653 658 CYS I Protein B 6 FT #SUB 497 502 ILE J 649 654 LEU I Protein S 2 FT #SUB 497 502 ILE J 653 658 CYS I Protein S 1 FT #SUB 634 639 VAL J 477 482 PHE I Protein B 3 FT #SUB 635 640 MET J 476 481 GLU I Protein S 1 FT #SUB 635 640 MET J 477 482 PHE I Protein A 4 FT #SUB 635 640 MET J 480 485 LYS I Protein A 6 FT #SUB 636 641 PHE J 480 485 LYS I Protein A 2 FT #SUB 638 643 GLN J 477 482 PHE I Protein S 4 FT #SUB 638 643 GLN J 480 485 LYS I Protein S 3 FT #SUB 638 643 GLN J 481 486 SER I Protein S 8 FT #SUB 638 643 GLN J 484 489 LEU I Protein S 1 FT #SUB 641 646 ARG J 477 482 PHE I Protein S 2 FT #SUB 641 646 ARG J 642 647 GLN I Protein B 1 FT #SUB 642 647 GLN J 481 486 SER I Protein S 9 FT #SUB 642 647 GLN J 484 489 LEU I Protein S 6 FT #SUB 642 647 GLN J 485 490 ASP I Protein S 8 FT #SUB 642 647 GLN J 641 646 ARG I Protein S 1 FT #SUB 643 648 LYS J 484 489 LEU I Protein S 3 FT #SUB 643 648 LYS J 488 493 ARG I Protein B 1 FT #SUB 645 650 ILE J 645 650 ILE I Protein S 1 FT #SUB 646 651 TRP J 485 490 ASP I Protein S 12 FT #SUB 646 651 TRP J 488 493 ARG I Protein S 9 FT #SUB 646 651 TRP J 489 494 TYR I Protein S 4 FT #SUB 646 651 TRP J 492 497 GLN I Protein S 6 FT #SUB 649 654 LEU J 492 497 GLN I Protein S 3 FT #SUB 649 654 LEU J 497 502 ILE I Protein S 5 FT #SUB 649 654 LEU J 649 654 LEU I Protein S 1 FT #SUB 650 655 LYS J 492 497 GLN I Protein S 5 FT #SUB 650 655 LYS J 496 501 GLY I Protein S 3 FT #SUB 652 657 ALA J 652 657 ALA I Protein A 4 FT #SUB 652 657 ALA J 655 660 GLN I Protein B 1 FT #SUB 653 658 CYS J 495 500 TYR I Protein B 1 FT #SUB 653 658 CYS J 496 501 GLY I Protein S 5 FT #SUB 653 658 CYS J 497 502 ILE I Protein S 3 FT #SUB 655 660 GLN J 652 657 ALA I Protein S 1 FT #SUB 228 233 LYS J 223 228 PHE L Protein S 1 FT #SUB 243 248 MET J 178 183 GLY L Protein S 1 FT #SUB 243 248 MET J 179 184 THR L Protein A 8 FT #SUB 244 249 SER J 179 184 THR L Protein A 4 FT #SUB 244 249 SER J 180 185 LEU L Protein S 1 FT #SUB 244 249 SER J 222 227 PRO L Protein A 8 FT #SUB 244 249 SER J 223 228 PHE L Protein B 2 FT #SUB 245 250 GLY J 221 226 GLN L Protein B 5 FT #SUB 245 250 GLY J 223 228 PHE L Protein B 7 FT #SUB 246 251 GLU J 223 228 PHE L Protein A 12 FT #SUB 247 252 VAL J 223 228 PHE L Protein A 3 FT #SUB 248 253 ARG J 176 181 PHE L Protein S 6 FT #SUB 397 402 SER J 21 26 PHE L Protein S 3 FT #SUB 398 403 LEU J 21 26 PHE L Protein S 2 FT #SUB 400 405 ASP J 21 26 PHE L Protein S 1 FT #SUB 403 408 ASN J 21 26 PHE L Protein S 10 FT #SUB 403 408 ASN J 22 27 GLY L Protein S 3 FT #SUB 406 411 VAL J 15 20 ARG L Protein B 3 FT #SUB 407 412 GLN J 15 20 ARG L Protein A 10 FT #SUB 407 412 GLN J 16 21 LEU L Protein A 6 FT #SUB 407 412 GLN J 22 27 GLY L Protein S 10 FT #SUB 407 412 GLN J 23 28 ASN L Protein S 6 FT #SUB 408 413 ASP J 16 21 LEU L Protein B 2 FT #SUB 408 413 ASP J 17 22 GLY L Protein S 1 FT #SUB 409 414 SER J 15 20 ARG L Protein S 1 FT #SUB 412 417 GLN J 568 573 HIS L Protein S 2 FT #SUB 569 574 ARG J 570 575 PRO L Protein S 1 FT #SUB 570 575 PRO J 570 575 PRO L Protein B 2 FT #SUB 570 575 PRO J 571 576 SER L Protein B 2 FT #SUB 571 576 SER J 571 576 SER L Protein B 4 FT #SUB 572 577 ASP J 571 576 SER L Protein B 8 FT #SUB 572 577 ASP J 572 577 ASP L Protein B 1 FT #SUB 573 578 HIS J 573 578 HIS L Protein B 4 FT #SUB 574 579 SER J 572 577 ASP L Protein S 10 FT #SUB 574 579 SER J 573 578 HIS L Protein S 7 FT #SUB 575 580 TYR J 571 576 SER L Protein A 2 FT #HET 16 21 LEU J 110 701 5TL J S 14 FT #HET 18 23 THR J 110 701 5TL J A 5 FT #HET 24 29 VAL J 110 701 5TL J S 3 FT #HET 37 42 ALA J 110 701 5TL J S 1 FT #HET 90 95 MET J 110 701 5TL J S 3 FT #HET 91 96 GLU J 110 701 5TL J B 4 FT #HET 92 97 TYR J 110 701 5TL J A 7 FT #HET 93 98 CYS J 110 701 5TL J B 3 FT #HET 96 101 GLY J 110 701 5TL J B 3 FT #HET 97 102 ASP J 110 701 5TL J A 9 FT #HET 100 105 LYS J 67 1 5LS e S 1 FT #HET 100 105 LYS J 68 2 GLC e S 2 FT #HET 100 105 LYS J 69 3 PDX e S 1 FT #HET 104 109 LYS J 69 3 PDX e S 8 FT #HET 105 110 PRO J 69 3 PDX e S 2 FT #HET 106 111 GLU J 69 3 PDX e S 1 FT #HET 146 151 VAL J 110 701 5TL J S 5 FT #HET 159 164 ILE J 110 701 5TL J S 3 FT #HET 160 165 ASP J 110 701 5TL J S 4 FT #HET 444 449 ARG J 79 1 5LS i S 2 FT #HET 547 552 ARG J 79 1 5LS i S 1 FT #HET 558 563 ARG J 86 1 5LS j S 2 FT #HET 558 563 ARG J 87 2 GLC j S 5 FT #HET 564 569 LYS J 67 1 5LS e S 2 FT #HET 568 573 HIS J 67 1 5LS e S 1 FT #HET 583 588 LYS J 86 1 5LS j B 1 FT #HET 587 592 HIS J 86 1 5LS j S 12 FT #HET 587 592 HIS J 88 3 PDX j A 4 FT #HET 590 595 GLN J 88 3 PDX j S 1 FT #HET 594 599 ARG J 88 3 PDX j S 3 CC SEQUENCE 655 AA (ATOM); CC DPEFGAGGPW EMRERLGTGG FGNVCLYQHR ELDLKIAIKS CRLELSTKNR ERWCHEIQIM CC KKLNHANVVK ACDVPEELNI LIHDVPLLAM EYCSGGDLRK LLNKPENCCG LKESQILSLL CC SDIGSGIRYL HENKIIHRDL KPENIVLQDV GGKIIHKIID LGYAKDVDQG ELCTEFVGTL CC QYLAPELFEN KPYTATVDYW SFGTMVFECI AGYRPFLHHL QPFTWHEKIK KKDPKCIFAC CC EEMSGEVRFS SHLPQPNSLC SLIVEPMENW LQLMLNWDPQ QRGGPVDLTL KQPRCFVLMD CC HILNLKIVHI LNMTSAKIIS FLLPPDESLH SLQSRIERET GINTGSQELL SETGISLDPR CC KPASQCVLDG VRGCDSYMVY LFDKSKTVYE GPFASRSLSD CVNYIVQDSK IQLPIIQLRK CC VWAEAVHYVS GLKEDYSRLF QGQRAAMLSL LRYNANLTKM KNTLISASQQ LKAKLEFFHK CC SIQLDLERYS EQMTYGISSE KMLKAWKEME EKAIHYAEVG VIGYLEDQIM SLHAEIMELQ CC KSPYGRRQGD LMESLEQRAI DLYKQLKHRP SDHSYSDSTE MVKIIVHTVQ SQDRVLKELF CC GHLSKLLGCK QKIIDLLPKV EVALSNIKEA DNTVMFMQGK RQKEIWHLLK IACTQ CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES DPEFGAGGPWEMRERLGTGGFGNVCLYQHRELDLKIAIKSCRLELSTKNR CC ATOM DPEFGAGGPWEMRERLGTGGFGNVCLYQHRELDLKIAIKSCRLELSTKNR CC ************************************************** CC SEQRES ERWCHEIQIMKKLNHANVVKACDVPEELNILIHDVPLLAMEYCSGGDLRK CC ATOM ERWCHEIQIMKKLNHANVVKACDVPEELNILIHDVPLLAMEYCSGGDLRK CC ************************************************** CC SEQRES LLNKPENCCGLKESQILSLLSDIGSGIRYLHENKIIHRDLKPENIVLQDV CC ATOM LLNKPENCCGLKESQILSLLSDIGSGIRYLHENKIIHRDLKPENIVLQDV CC ************************************************** CC SEQRES GGKIIHKIIDLGYAKDVDQGELCTEFVGTLQYLAPELFENKPYTATVDYW CC ATOM GGKIIHKIIDLGYAKDVDQGELCTEFVGTLQYLAPELFENKPYTATVDYW CC ************************************************** CC SEQRES SFGTMVFECIAGYRPFLHHLQPFTWHEKIKKKDPKCIFACEEMSGEVRFS CC ATOM SFGTMVFECIAGYRPFLHHLQPFTWHEKIKKKDPKCIFACEEMSGEVRFS CC ************************************************** CC SEQRES SHLPQPNSLCSLIVEPMENWLQLMLNWDPQQRGGPVDLTLKQPRCFVLMD CC ATOM SHLPQPNSLCSLIVEPMENWLQLMLNWDPQQRGGPVDLTLKQPRCFVLMD CC ************************************************** CC SEQRES HILNLKIVHILNMTSAKIISFLLPPDESLHSLQSRIERETGINTGSQELL CC ATOM HILNLKIVHILNMTSAKIISFLLPPDESLHSLQSRIERETGINTGSQELL CC ************************************************** CC SEQRES SETGISLDPRKPASQCVLDGVRGCDSYMVYLFDKSKTVYEGPFASRSLSD CC ATOM SETGISLDPRKPASQCVLDGVRGCDSYMVYLFDKSKTVYEGPFASRSLSD CC ************************************************** CC SEQRES CVNYIVQDSKIQLPIIQLRKVWAEAVHYVSGLKEDYSRLFQGQRAAMLSL CC ATOM CVNYIVQDSKIQLPIIQLRKVWAEAVHYVSGLKEDYSRLFQGQRAAMLSL CC ************************************************** CC SEQRES LRYNANLTKMKNTLISASQQLKAKLEFFHKSIQLDLERYSEQMTYGISSE CC ATOM LRYNANLTKMKNTLISASQQLKAKLEFFHKSIQLDLERYSEQMTYGISSE CC ************************************************** CC SEQRES KMLKAWKEMEEKAIHYAEVGVIGYLEDQIMSLHAEIMELQKSPYGRRQGD CC ATOM KMLKAWKEMEEKAIHYAEVGVIGYLEDQIMSLHAEIMELQKSPYGRRQGD CC ************************************************** CC SEQRES LMESLEQRAIDLYKQLKHRPSDHSYSDSTEMVKIIVHTVQSQDRVLKELF CC ATOM LMESLEQRAIDLYKQLKHRPSDHSYSDSTEMVKIIVHTVQSQDRVLKELF CC ************************************************** CC SEQRES GHLSKLLGCKQKIIDLLPKVEVALSNIKEADNTVMFMQGKRQKEIWHLLK CC ATOM GHLSKLLGCKQKIIDLLPKVEVALSNIKEADNTVMFMQGKRQKEIWHLLK CC ************************************************** CC SEQRES IACTQ CC ATOM IACTQ CC ***** SQ SEQUENCE 655 AA; MW; CN; DPEFGAGGPW EMRERLGTGG FGNVCLYQHR ELDLKIAIKS CRLELSTKNR ERWCHEIQIM KKLNHANVVK ACDVPEELNI LIHDVPLLAM EYCSGGDLRK LLNKPENCCG LKESQILSLL SDIGSGIRYL HENKIIHRDL KPENIVLQDV GGKIIHKIID LGYAKDVDQG ELCTEFVGTL QYLAPELFEN KPYTATVDYW SFGTMVFECI AGYRPFLHHL QPFTWHEKIK KKDPKCIFAC EEMSGEVRFS SHLPQPNSLC SLIVEPMENW LQLMLNWDPQ QRGGPVDLTL KQPRCFVLMD HILNLKIVHI LNMTSAKIIS FLLPPDESLH SLQSRIERET GINTGSQELL SETGISLDPR KPASQCVLDG VRGCDSYMVY LFDKSKTVYE GPFASRSLSD CVNYIVQDSK IQLPIIQLRK VWAEAVHYVS GLKEDYSRLF QGQRAAMLSL LRYNANLTKM KNTLISASQQ LKAKLEFFHK SIQLDLERYS EQMTYGISSE KMLKAWKEME EKAIHYAEVG VIGYLEDQIM SLHAEIMELQ KSPYGRRQGD LMESLEQRAI DLYKQLKHRP SDHSYSDSTE MVKIIVHTVQ SQDRVLKELF GHLSKLLGCK QKIIDLLPKV EVALSNIKEA DNTVMFMQGK RQKEIWHLLK IACTQ // ID 5EBZK STANDARD; PRT; 655 AA. DT CONVERTED FROM PDB (SEQRES) 5EBZ DE Inhibitor of nuclear factor kappa-B kinase subunit alpha OS Homo sapiens CC EXPDTA X-RAY DIFFRACTION CC RESOLU 4.500 CC R-Factor 0.238 FT #SUB 15 20 ARG K 406 411 VAL G Protein S 2 FT #SUB 15 20 ARG K 407 412 GLN G Protein A 8 FT #SUB 15 20 ARG K 409 414 SER G Protein S 1 FT #SUB 16 21 LEU K 407 412 GLN G Protein B 6 FT #SUB 16 21 LEU K 408 413 ASP G Protein B 2 FT #SUB 17 22 GLY K 407 412 GLN G Protein B 1 FT #SUB 21 26 PHE K 398 403 LEU G Protein S 2 FT #SUB 21 26 PHE K 400 405 ASP G Protein B 1 FT #SUB 21 26 PHE K 403 408 ASN G Protein A 10 FT #SUB 22 27 GLY K 403 408 ASN G Protein B 2 FT #SUB 22 27 GLY K 407 412 GLN G Protein B 7 FT #SUB 23 28 ASN K 407 412 GLN G Protein A 4 FT #SUB 176 181 PHE K 248 253 ARG G Protein S 6 FT #SUB 177 182 VAL K 243 248 MET G Protein B 1 FT #SUB 178 183 GLY K 243 248 MET G Protein B 2 FT #SUB 179 184 THR K 243 248 MET G Protein A 4 FT #SUB 180 185 LEU K 244 249 SER G Protein A 2 FT #SUB 221 226 GLN K 245 250 GLY G Protein S 5 FT #SUB 222 227 PRO K 244 249 SER G Protein S 6 FT #SUB 223 228 PHE K 228 233 LYS G Protein S 1 FT #SUB 223 228 PHE K 244 249 SER G Protein A 2 FT #SUB 223 228 PHE K 245 250 GLY G Protein S 3 FT #SUB 223 228 PHE K 246 251 GLU G Protein A 10 FT #SUB 568 573 HIS K 412 417 GLN G Protein S 2 FT #SUB 570 575 PRO K 569 574 ARG G Protein A 5 FT #SUB 570 575 PRO K 570 575 PRO G Protein A 3 FT #SUB 571 576 SER K 570 575 PRO G Protein S 3 FT #SUB 571 576 SER K 571 576 SER G Protein S 8 FT #SUB 571 576 SER K 572 577 ASP G Protein S 7 FT #SUB 571 576 SER K 575 580 TYR G Protein A 7 FT #SUB 572 577 ASP K 572 577 ASP G Protein B 1 FT #SUB 572 577 ASP K 574 579 SER G Protein A 10 FT #SUB 573 578 HIS K 573 578 HIS G Protein S 7 FT #SUB 573 578 HIS K 574 579 SER G Protein A 8 FT #SUB 228 233 LYS K 223 228 PHE I Protein S 2 FT #SUB 243 248 MET K 178 183 GLY I Protein S 1 FT #SUB 243 248 MET K 179 184 THR I Protein A 9 FT #SUB 244 249 SER K 179 184 THR I Protein B 2 FT #SUB 244 249 SER K 180 185 LEU I Protein S 2 FT #SUB 244 249 SER K 222 227 PRO I Protein A 7 FT #SUB 244 249 SER K 223 228 PHE I Protein B 2 FT #SUB 245 250 GLY K 221 226 GLN I Protein B 4 FT #SUB 245 250 GLY K 223 228 PHE I Protein B 5 FT #SUB 246 251 GLU K 223 228 PHE I Protein A 13 FT #SUB 247 252 VAL K 223 228 PHE I Protein S 2 FT #SUB 248 253 ARG K 176 181 PHE I Protein S 2 FT #SUB 397 402 SER K 21 26 PHE I Protein S 1 FT #SUB 398 403 LEU K 21 26 PHE I Protein S 1 FT #SUB 400 405 ASP K 21 26 PHE I Protein S 1 FT #SUB 403 408 ASN K 21 26 PHE I Protein S 6 FT #SUB 403 408 ASN K 22 27 GLY I Protein S 1 FT #SUB 404 409 TYR K 178 183 GLY I Protein S 2 FT #SUB 406 411 VAL K 15 20 ARG I Protein B 2 FT #SUB 407 412 GLN K 15 20 ARG I Protein A 6 FT #SUB 407 412 GLN K 16 21 LEU I Protein A 5 FT #SUB 407 412 GLN K 22 27 GLY I Protein S 5 FT #SUB 407 412 GLN K 23 28 ASN I Protein S 3 FT #SUB 408 413 ASP K 16 21 LEU I Protein B 1 FT #SUB 412 417 GLN K 568 573 HIS I Protein S 2 FT #SUB 569 574 ARG K 570 575 PRO I Protein S 6 FT #SUB 569 574 ARG K 571 576 SER I Protein S 2 FT #SUB 570 575 PRO K 570 575 PRO I Protein B 1 FT #SUB 570 575 PRO K 571 576 SER I Protein B 2 FT #SUB 571 576 SER K 571 576 SER I Protein A 5 FT #SUB 572 577 ASP K 571 576 SER I Protein A 5 FT #SUB 572 577 ASP K 572 577 ASP I Protein B 1 FT #SUB 573 578 HIS K 573 578 HIS I Protein B 5 FT #SUB 574 579 SER K 572 577 ASP I Protein S 11 FT #SUB 574 579 SER K 573 578 HIS I Protein A 15 FT #SUB 575 580 TYR K 571 576 SER I Protein A 11 FT #SUB 466 471 SER K 469 474 GLN L Protein A 4 FT #SUB 469 474 GLN K 466 471 SER L Protein S 6 FT #SUB 469 474 GLN K 469 474 GLN L Protein S 1 FT #SUB 470 475 GLN K 469 474 GLN L Protein S 1 FT #SUB 470 475 GLN K 473 478 ALA L Protein B 2 FT #SUB 473 478 ALA K 470 475 GLN L Protein S 5 FT #SUB 473 478 ALA K 473 478 ALA L Protein S 1 FT #SUB 473 478 ALA K 474 479 LYS L Protein B 3 FT #SUB 474 479 LYS K 473 478 ALA L Protein S 5 FT #SUB 474 479 LYS K 476 481 GLU L Protein S 4 FT #SUB 476 481 GLU K 474 479 LYS L Protein S 5 FT #SUB 476 481 GLU K 635 640 MET L Protein S 1 FT #SUB 477 482 PHE K 474 479 LYS L Protein A 7 FT #SUB 477 482 PHE K 477 482 PHE L Protein A 7 FT #SUB 477 482 PHE K 478 483 PHE L Protein S 1 FT #SUB 477 482 PHE K 634 639 VAL L Protein S 4 FT #SUB 477 482 PHE K 635 640 MET L Protein S 4 FT #SUB 477 482 PHE K 638 643 GLN L Protein A 3 FT #SUB 478 483 PHE K 477 482 PHE L Protein S 1 FT #SUB 480 485 LYS K 635 640 MET L Protein S 11 FT #SUB 480 485 LYS K 636 641 PHE L Protein S 3 FT #SUB 480 485 LYS K 638 643 GLN L Protein S 2 FT #SUB 481 486 SER K 638 643 GLN L Protein A 9 FT #SUB 481 486 SER K 642 647 GLN L Protein A 9 FT #SUB 484 489 LEU K 638 643 GLN L Protein S 3 FT #SUB 484 489 LEU K 639 644 GLY L Protein S 1 FT #SUB 484 489 LEU K 642 647 GLN L Protein S 6 FT #SUB 484 489 LEU K 643 648 LYS L Protein S 4 FT #SUB 485 490 ASP K 642 647 GLN L Protein S 11 FT #SUB 485 490 ASP K 646 651 TRP L Protein A 10 FT #SUB 488 493 ARG K 643 648 LYS L Protein S 10 FT #SUB 488 493 ARG K 646 651 TRP L Protein A 11 FT #SUB 488 493 ARG K 647 652 HIS L Protein S 1 FT #SUB 489 494 TYR K 646 651 TRP L Protein A 6 FT #SUB 492 497 GLN K 646 651 TRP L Protein S 6 FT #SUB 492 497 GLN K 649 654 LEU L Protein S 3 FT #SUB 492 497 GLN K 650 655 LYS L Protein A 7 FT #SUB 495 500 TYR K 653 658 CYS L Protein B 2 FT #SUB 496 501 GLY K 653 658 CYS L Protein B 2 FT #SUB 497 502 ILE K 649 654 LEU L Protein S 4 FT #SUB 497 502 ILE K 653 658 CYS L Protein A 2 FT #SUB 634 639 VAL K 477 482 PHE L Protein B 3 FT #SUB 635 640 MET K 476 481 GLU L Protein S 2 FT #SUB 635 640 MET K 477 482 PHE L Protein A 4 FT #SUB 635 640 MET K 480 485 LYS L Protein A 4 FT #SUB 638 643 GLN K 477 482 PHE L Protein S 6 FT #SUB 638 643 GLN K 480 485 LYS L Protein S 3 FT #SUB 638 643 GLN K 481 486 SER L Protein S 8 FT #SUB 638 643 GLN K 484 489 LEU L Protein S 1 FT #SUB 641 646 ARG K 477 482 PHE L Protein S 3 FT #SUB 641 646 ARG K 642 647 GLN L Protein B 1 FT #SUB 642 647 GLN K 481 486 SER L Protein S 9 FT #SUB 642 647 GLN K 484 489 LEU L Protein S 5 FT #SUB 642 647 GLN K 485 490 ASP L Protein S 4 FT #SUB 642 647 GLN K 641 646 ARG L Protein S 1 FT #SUB 643 648 LYS K 484 489 LEU L Protein S 3 FT #SUB 645 650 ILE K 645 650 ILE L Protein S 1 FT #SUB 646 651 TRP K 485 490 ASP L Protein S 7 FT #SUB 646 651 TRP K 488 493 ARG L Protein S 4 FT #SUB 646 651 TRP K 492 497 GLN L Protein S 3 FT #SUB 649 654 LEU K 497 502 ILE L Protein S 2 FT #SUB 649 654 LEU K 649 654 LEU L Protein S 1 FT #SUB 650 655 LYS K 492 497 GLN L Protein S 2 FT #SUB 650 655 LYS K 496 501 GLY L Protein S 2 FT #SUB 652 657 ALA K 652 657 ALA L Protein A 5 FT #SUB 652 657 ALA K 655 660 GLN L Protein B 1 FT #SUB 653 658 CYS K 497 502 ILE L Protein S 2 FT #SUB 655 660 GLN K 652 657 ALA L Protein S 1 FT #SUB 655 660 GLN K 655 660 GLN L Protein A 2 FT #HET 16 21 LEU K 111 701 5TL K S 15 FT #HET 17 22 GLY K 111 701 5TL K B 1 FT #HET 18 23 THR K 111 701 5TL K A 5 FT #HET 24 29 VAL K 111 701 5TL K S 4 FT #HET 37 42 ALA K 111 701 5TL K S 1 FT #HET 90 95 MET K 111 701 5TL K S 2 FT #HET 91 96 GLU K 111 701 5TL K B 4 FT #HET 92 97 TYR K 111 701 5TL K A 9 FT #HET 93 98 CYS K 111 701 5TL K B 2 FT #HET 96 101 GLY K 111 701 5TL K B 3 FT #HET 97 102 ASP K 111 701 5TL K A 9 FT #HET 105 110 PRO K 89 1 5LS k S 1 FT #HET 106 111 GLU K 89 1 5LS k S 2 FT #HET 106 111 GLU K 90 2 GLC k S 2 FT #HET 146 151 VAL K 111 701 5TL K S 5 FT #HET 159 164 ILE K 111 701 5TL K S 7 FT #HET 160 165 ASP K 111 701 5TL K S 4 FT #HET 551 556 LEU K 94 3 PDX l S 1 FT #HET 556 561 GLU K 90 2 GLC k S 9 FT #HET 557 562 GLN K 89 1 5LS k S 2 FT #HET 557 562 GLN K 90 2 GLC k S 1 FT #HET 558 563 ARG K 93 2 GLC l S 8 FT #HET 560 565 ILE K 89 1 5LS k S 2 FT #HET 560 565 ILE K 90 2 GLC k S 1 FT #HET 564 569 LYS K 89 1 5LS k S 4 FT #HET 583 588 LYS K 92 1 5LS l S 1 FT #HET 587 592 HIS K 93 2 GLC l S 14 FT #HET 587 592 HIS K 94 3 PDX l B 1 FT #HET 590 595 GLN K 94 3 PDX l S 8 FT #HET 591 596 SER K 94 3 PDX l A 5 FT #HET 594 599 ARG K 94 3 PDX l S 10 CC SEQUENCE 655 AA (ATOM); CC DPEFGAGGPW EMRERLGTGG FGNVCLYQHR ELDLKIAIKS CRLELSTKNR ERWCHEIQIM CC KKLNHANVVK ACDVPEELNI LIHDVPLLAM EYCSGGDLRK LLNKPENCCG LKESQILSLL CC SDIGSGIRYL HENKIIHRDL KPENIVLQDV GGKIIHKIID LGYAKDVDQG ELCTEFVGTL CC QYLAPELFEN KPYTATVDYW SFGTMVFECI AGYRPFLHHL QPFTWHEKIK KKDPKCIFAC CC EEMSGEVRFS SHLPQPNSLC SLIVEPMENW LQLMLNWDPQ QRGGPVDLTL KQPRCFVLMD CC HILNLKIVHI LNMTSAKIIS FLLPPDESLH SLQSRIERET GINTGSQELL SETGISLDPR CC KPASQCVLDG VRGCDSYMVY LFDKSKTVYE GPFASRSLSD CVNYIVQDSK IQLPIIQLRK CC VWAEAVHYVS GLKEDYSRLF QGQRAAMLSL LRYNANLTKM KNTLISASQQ LKAKLEFFHK CC SIQLDLERYS EQMTYGISSE KMLKAWKEME EKAIHYAEVG VIGYLEDQIM SLHAEIMELQ CC KSPYGRRQGD LMESLEQRAI DLYKQLKHRP SDHSYSDSTE MVKIIVHTVQ SQDRVLKELF CC GHLSKLLGCK QKIIDLLPKV EVALSNIKEA DNTVMFMQGK RQKEIWHLLK IACTQ CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES DPEFGAGGPWEMRERLGTGGFGNVCLYQHRELDLKIAIKSCRLELSTKNR CC ATOM DPEFGAGGPWEMRERLGTGGFGNVCLYQHRELDLKIAIKSCRLELSTKNR CC ************************************************** CC SEQRES ERWCHEIQIMKKLNHANVVKACDVPEELNILIHDVPLLAMEYCSGGDLRK CC ATOM ERWCHEIQIMKKLNHANVVKACDVPEELNILIHDVPLLAMEYCSGGDLRK CC ************************************************** CC SEQRES LLNKPENCCGLKESQILSLLSDIGSGIRYLHENKIIHRDLKPENIVLQDV CC ATOM LLNKPENCCGLKESQILSLLSDIGSGIRYLHENKIIHRDLKPENIVLQDV CC ************************************************** CC SEQRES GGKIIHKIIDLGYAKDVDQGELCTEFVGTLQYLAPELFENKPYTATVDYW CC ATOM GGKIIHKIIDLGYAKDVDQGELCTEFVGTLQYLAPELFENKPYTATVDYW CC ************************************************** CC SEQRES SFGTMVFECIAGYRPFLHHLQPFTWHEKIKKKDPKCIFACEEMSGEVRFS CC ATOM SFGTMVFECIAGYRPFLHHLQPFTWHEKIKKKDPKCIFACEEMSGEVRFS CC ************************************************** CC SEQRES SHLPQPNSLCSLIVEPMENWLQLMLNWDPQQRGGPVDLTLKQPRCFVLMD CC ATOM SHLPQPNSLCSLIVEPMENWLQLMLNWDPQQRGGPVDLTLKQPRCFVLMD CC ************************************************** CC SEQRES HILNLKIVHILNMTSAKIISFLLPPDESLHSLQSRIERETGINTGSQELL CC ATOM HILNLKIVHILNMTSAKIISFLLPPDESLHSLQSRIERETGINTGSQELL CC ************************************************** CC SEQRES SETGISLDPRKPASQCVLDGVRGCDSYMVYLFDKSKTVYEGPFASRSLSD CC ATOM SETGISLDPRKPASQCVLDGVRGCDSYMVYLFDKSKTVYEGPFASRSLSD CC ************************************************** CC SEQRES CVNYIVQDSKIQLPIIQLRKVWAEAVHYVSGLKEDYSRLFQGQRAAMLSL CC ATOM CVNYIVQDSKIQLPIIQLRKVWAEAVHYVSGLKEDYSRLFQGQRAAMLSL CC ************************************************** CC SEQRES LRYNANLTKMKNTLISASQQLKAKLEFFHKSIQLDLERYSEQMTYGISSE CC ATOM LRYNANLTKMKNTLISASQQLKAKLEFFHKSIQLDLERYSEQMTYGISSE CC ************************************************** CC SEQRES KMLKAWKEMEEKAIHYAEVGVIGYLEDQIMSLHAEIMELQKSPYGRRQGD CC ATOM KMLKAWKEMEEKAIHYAEVGVIGYLEDQIMSLHAEIMELQKSPYGRRQGD CC ************************************************** CC SEQRES LMESLEQRAIDLYKQLKHRPSDHSYSDSTEMVKIIVHTVQSQDRVLKELF CC ATOM LMESLEQRAIDLYKQLKHRPSDHSYSDSTEMVKIIVHTVQSQDRVLKELF CC ************************************************** CC SEQRES GHLSKLLGCKQKIIDLLPKVEVALSNIKEADNTVMFMQGKRQKEIWHLLK CC ATOM GHLSKLLGCKQKIIDLLPKVEVALSNIKEADNTVMFMQGKRQKEIWHLLK CC ************************************************** CC SEQRES IACTQ CC ATOM IACTQ CC ***** SQ SEQUENCE 655 AA; MW; CN; DPEFGAGGPW EMRERLGTGG FGNVCLYQHR ELDLKIAIKS CRLELSTKNR ERWCHEIQIM KKLNHANVVK ACDVPEELNI LIHDVPLLAM EYCSGGDLRK LLNKPENCCG LKESQILSLL SDIGSGIRYL HENKIIHRDL KPENIVLQDV GGKIIHKIID LGYAKDVDQG ELCTEFVGTL QYLAPELFEN KPYTATVDYW SFGTMVFECI AGYRPFLHHL QPFTWHEKIK KKDPKCIFAC EEMSGEVRFS SHLPQPNSLC SLIVEPMENW LQLMLNWDPQ QRGGPVDLTL KQPRCFVLMD HILNLKIVHI LNMTSAKIIS FLLPPDESLH SLQSRIERET GINTGSQELL SETGISLDPR KPASQCVLDG VRGCDSYMVY LFDKSKTVYE GPFASRSLSD CVNYIVQDSK IQLPIIQLRK VWAEAVHYVS GLKEDYSRLF QGQRAAMLSL LRYNANLTKM KNTLISASQQ LKAKLEFFHK SIQLDLERYS EQMTYGISSE KMLKAWKEME EKAIHYAEVG VIGYLEDQIM SLHAEIMELQ KSPYGRRQGD LMESLEQRAI DLYKQLKHRP SDHSYSDSTE MVKIIVHTVQ SQDRVLKELF GHLSKLLGCK QKIIDLLPKV EVALSNIKEA DNTVMFMQGK RQKEIWHLLK IACTQ // ID 5EBZL STANDARD; PRT; 655 AA. DT CONVERTED FROM PDB (SEQRES) 5EBZ DE Inhibitor of nuclear factor kappa-B kinase subunit alpha OS Homo sapiens CC EXPDTA X-RAY DIFFRACTION CC RESOLU 4.500 CC R-Factor 0.238 FT #SUB 243 248 MET L 178 183 GLY H Protein S 1 FT #SUB 243 248 MET L 179 184 THR H Protein S 3 FT #SUB 244 249 SER L 180 185 LEU H Protein S 4 FT #SUB 244 249 SER L 221 226 GLN H Protein B 1 FT #SUB 244 249 SER L 222 227 PRO H Protein A 8 FT #SUB 244 249 SER L 223 228 PHE H Protein B 1 FT #SUB 245 250 GLY L 221 226 GLN H Protein B 8 FT #SUB 245 250 GLY L 223 228 PHE H Protein B 4 FT #SUB 246 251 GLU L 222 227 PRO H Protein S 2 FT #SUB 246 251 GLU L 223 228 PHE H Protein A 8 FT #SUB 247 252 VAL L 223 228 PHE H Protein S 2 FT #SUB 248 253 ARG L 176 181 PHE H Protein S 9 FT #SUB 398 403 LEU L 21 26 PHE H Protein S 2 FT #SUB 400 405 ASP L 21 26 PHE H Protein S 1 FT #SUB 403 408 ASN L 21 26 PHE H Protein S 10 FT #SUB 403 408 ASN L 22 27 GLY H Protein S 3 FT #SUB 406 411 VAL L 15 20 ARG H Protein B 3 FT #SUB 407 412 GLN L 15 20 ARG H Protein A 11 FT #SUB 407 412 GLN L 16 21 LEU H Protein A 7 FT #SUB 407 412 GLN L 22 27 GLY H Protein S 7 FT #SUB 407 412 GLN L 23 28 ASN H Protein S 6 FT #SUB 408 413 ASP L 16 21 LEU H Protein B 2 FT #SUB 409 414 SER L 15 20 ARG H Protein S 1 FT #SUB 412 417 GLN L 568 573 HIS H Protein S 2 FT #SUB 569 574 ARG L 570 575 PRO H Protein S 2 FT #SUB 570 575 PRO L 570 575 PRO H Protein A 4 FT #SUB 571 576 SER L 571 576 SER H Protein B 4 FT #SUB 572 577 ASP L 571 576 SER H Protein A 8 FT #SUB 573 578 HIS L 573 578 HIS H Protein B 4 FT #SUB 574 579 SER L 572 577 ASP H Protein S 9 FT #SUB 574 579 SER L 573 578 HIS H Protein S 11 FT #SUB 575 580 TYR L 571 576 SER H Protein A 5 FT #SUB 589 594 VAL L 1 6 ASP H Protein S 2 FT #SUB 15 20 ARG L 406 411 VAL J Protein S 3 FT #SUB 15 20 ARG L 407 412 GLN J Protein A 10 FT #SUB 15 20 ARG L 409 414 SER J Protein S 1 FT #SUB 16 21 LEU L 407 412 GLN J Protein B 6 FT #SUB 16 21 LEU L 408 413 ASP J Protein B 2 FT #SUB 17 22 GLY L 408 413 ASP J Protein B 1 FT #SUB 21 26 PHE L 397 402 SER J Protein S 3 FT #SUB 21 26 PHE L 398 403 LEU J Protein S 2 FT #SUB 21 26 PHE L 400 405 ASP J Protein B 1 FT #SUB 21 26 PHE L 403 408 ASN J Protein A 10 FT #SUB 22 27 GLY L 403 408 ASN J Protein B 3 FT #SUB 22 27 GLY L 407 412 GLN J Protein B 10 FT #SUB 23 28 ASN L 407 412 GLN J Protein A 6 FT #SUB 176 181 PHE L 248 253 ARG J Protein S 6 FT #SUB 178 183 GLY L 243 248 MET J Protein B 1 FT #SUB 179 184 THR L 243 248 MET J Protein A 8 FT #SUB 179 184 THR L 244 249 SER J Protein B 4 FT #SUB 180 185 LEU L 244 249 SER J Protein B 1 FT #SUB 221 226 GLN L 245 250 GLY J Protein S 5 FT #SUB 222 227 PRO L 244 249 SER J Protein A 8 FT #SUB 223 228 PHE L 228 233 LYS J Protein S 1 FT #SUB 223 228 PHE L 244 249 SER J Protein A 2 FT #SUB 223 228 PHE L 245 250 GLY J Protein S 7 FT #SUB 223 228 PHE L 246 251 GLU J Protein A 12 FT #SUB 223 228 PHE L 247 252 VAL J Protein S 3 FT #SUB 568 573 HIS L 412 417 GLN J Protein S 2 FT #SUB 570 575 PRO L 569 574 ARG J Protein S 1 FT #SUB 570 575 PRO L 570 575 PRO J Protein B 2 FT #SUB 571 576 SER L 570 575 PRO J Protein S 2 FT #SUB 571 576 SER L 571 576 SER J Protein S 4 FT #SUB 571 576 SER L 572 577 ASP J Protein S 8 FT #SUB 571 576 SER L 575 580 TYR J Protein S 2 FT #SUB 572 577 ASP L 572 577 ASP J Protein B 1 FT #SUB 572 577 ASP L 574 579 SER J Protein A 10 FT #SUB 573 578 HIS L 573 578 HIS J Protein S 4 FT #SUB 573 578 HIS L 574 579 SER J Protein S 7 FT #SUB 466 471 SER L 469 474 GLN K Protein A 6 FT #SUB 469 474 GLN L 466 471 SER K Protein S 4 FT #SUB 469 474 GLN L 469 474 GLN K Protein S 1 FT #SUB 469 474 GLN L 470 475 GLN K Protein S 1 FT #SUB 470 475 GLN L 473 478 ALA K Protein A 5 FT #SUB 473 478 ALA L 470 475 GLN K Protein S 2 FT #SUB 473 478 ALA L 473 478 ALA K Protein S 1 FT #SUB 473 478 ALA L 474 479 LYS K Protein B 5 FT #SUB 474 479 LYS L 473 478 ALA K Protein S 3 FT #SUB 474 479 LYS L 476 481 GLU K Protein S 5 FT #SUB 474 479 LYS L 477 482 PHE K Protein A 7 FT #SUB 476 481 GLU L 474 479 LYS K Protein S 4 FT #SUB 476 481 GLU L 635 640 MET K Protein S 2 FT #SUB 477 482 PHE L 477 482 PHE K Protein A 7 FT #SUB 477 482 PHE L 478 483 PHE K Protein S 1 FT #SUB 477 482 PHE L 634 639 VAL K Protein S 3 FT #SUB 477 482 PHE L 635 640 MET K Protein S 4 FT #SUB 477 482 PHE L 638 643 GLN K Protein A 6 FT #SUB 477 482 PHE L 641 646 ARG K Protein S 3 FT #SUB 478 483 PHE L 477 482 PHE K Protein S 1 FT #SUB 480 485 LYS L 635 640 MET K Protein S 4 FT #SUB 480 485 LYS L 638 643 GLN K Protein S 3 FT #SUB 481 486 SER L 638 643 GLN K Protein S 8 FT #SUB 481 486 SER L 642 647 GLN K Protein A 9 FT #SUB 484 489 LEU L 638 643 GLN K Protein S 1 FT #SUB 484 489 LEU L 642 647 GLN K Protein S 5 FT #SUB 484 489 LEU L 643 648 LYS K Protein S 3 FT #SUB 485 490 ASP L 642 647 GLN K Protein S 4 FT #SUB 485 490 ASP L 646 651 TRP K Protein A 7 FT #SUB 488 493 ARG L 646 651 TRP K Protein A 4 FT #SUB 492 497 GLN L 646 651 TRP K Protein S 3 FT #SUB 492 497 GLN L 650 655 LYS K Protein S 2 FT #SUB 496 501 GLY L 650 655 LYS K Protein B 2 FT #SUB 497 502 ILE L 649 654 LEU K Protein S 2 FT #SUB 497 502 ILE L 653 658 CYS K Protein S 2 FT #SUB 634 639 VAL L 477 482 PHE K Protein A 4 FT #SUB 635 640 MET L 476 481 GLU K Protein S 1 FT #SUB 635 640 MET L 477 482 PHE K Protein A 4 FT #SUB 635 640 MET L 480 485 LYS K Protein A 11 FT #SUB 636 641 PHE L 480 485 LYS K Protein A 3 FT #SUB 638 643 GLN L 477 482 PHE K Protein S 3 FT #SUB 638 643 GLN L 480 485 LYS K Protein S 2 FT #SUB 638 643 GLN L 481 486 SER K Protein S 9 FT #SUB 638 643 GLN L 484 489 LEU K Protein A 3 FT #SUB 639 644 GLY L 484 489 LEU K Protein B 1 FT #SUB 641 646 ARG L 642 647 GLN K Protein B 1 FT #SUB 642 647 GLN L 481 486 SER K Protein S 9 FT #SUB 642 647 GLN L 484 489 LEU K Protein S 6 FT #SUB 642 647 GLN L 485 490 ASP K Protein S 11 FT #SUB 642 647 GLN L 641 646 ARG K Protein S 1 FT #SUB 643 648 LYS L 484 489 LEU K Protein S 4 FT #SUB 643 648 LYS L 488 493 ARG K Protein A 10 FT #SUB 645 650 ILE L 645 650 ILE K Protein S 1 FT #SUB 646 651 TRP L 485 490 ASP K Protein S 10 FT #SUB 646 651 TRP L 488 493 ARG K Protein S 11 FT #SUB 646 651 TRP L 489 494 TYR K Protein S 6 FT #SUB 646 651 TRP L 492 497 GLN K Protein S 6 FT #SUB 647 652 HIS L 488 493 ARG K Protein S 1 FT #SUB 649 654 LEU L 492 497 GLN K Protein S 3 FT #SUB 649 654 LEU L 497 502 ILE K Protein S 4 FT #SUB 649 654 LEU L 649 654 LEU K Protein S 1 FT #SUB 650 655 LYS L 492 497 GLN K Protein S 7 FT #SUB 652 657 ALA L 652 657 ALA K Protein A 5 FT #SUB 652 657 ALA L 655 660 GLN K Protein B 1 FT #SUB 653 658 CYS L 495 500 TYR K Protein A 2 FT #SUB 653 658 CYS L 496 501 GLY K Protein S 2 FT #SUB 653 658 CYS L 497 502 ILE K Protein S 2 FT #SUB 655 660 GLN L 652 657 ALA K Protein S 1 FT #SUB 655 660 GLN L 655 660 GLN K Protein A 2 FT #HET 16 21 LEU L 112 701 5TL L S 15 FT #HET 18 23 THR L 112 701 5TL L A 5 FT #HET 24 29 VAL L 112 701 5TL L S 3 FT #HET 37 42 ALA L 112 701 5TL L S 1 FT #HET 90 95 MET L 112 701 5TL L S 3 FT #HET 91 96 GLU L 112 701 5TL L B 3 FT #HET 92 97 TYR L 112 701 5TL L A 7 FT #HET 93 98 CYS L 112 701 5TL L B 2 FT #HET 96 101 GLY L 97 3 PDX m B 1 FT #HET 96 101 GLY L 112 701 5TL L B 3 FT #HET 97 102 ASP L 112 701 5TL L A 18 FT #HET 100 105 LYS L 96 2 GLC m S 5 FT #HET 104 109 LYS L 96 2 GLC m S 1 FT #HET 146 151 VAL L 112 701 5TL L S 5 FT #HET 159 164 ILE L 112 701 5TL L S 3 FT #HET 160 165 ASP L 112 701 5TL L S 9 FT #HET 410 415 LYS L 70 1 5LS f S 4 FT #HET 410 415 LYS L 72 3 PDX f S 2 FT #HET 557 562 GLN L 95 1 5LS m S 4 FT #HET 558 563 ARG L 99 2 GLC n S 12 FT #HET 579 584 THR L 70 1 5LS f S 3 FT #HET 587 592 HIS L 98 1 5LS n S 2 FT #HET 587 592 HIS L 99 2 GLC n S 10 FT #HET 587 592 HIS L 100 3 PDX n B 3 FT #HET 590 595 GLN L 100 3 PDX n A 4 FT #HET 591 596 SER L 100 3 PDX n A 6 FT #HET 594 599 ARG L 100 3 PDX n S 3 CC SEQUENCE 655 AA (ATOM); CC DPEFGAGGPW EMRERLGTGG FGNVCLYQHR ELDLKIAIKS CRLELSTKNR ERWCHEIQIM CC KKLNHANVVK ACDVPEELNI LIHDVPLLAM EYCSGGDLRK LLNKPENCCG LKESQILSLL CC SDIGSGIRYL HENKIIHRDL KPENIVLQDV GGKIIHKIID LGYAKDVDQG ELCTEFVGTL CC QYLAPELFEN KPYTATVDYW SFGTMVFECI AGYRPFLHHL QPFTWHEKIK KKDPKCIFAC CC EEMSGEVRFS SHLPQPNSLC SLIVEPMENW LQLMLNWDPQ QRGGPVDLTL KQPRCFVLMD CC HILNLKIVHI LNMTSAKIIS FLLPPDESLH SLQSRIERET GINTGSQELL SETGISLDPR CC KPASQCVLDG VRGCDSYMVY LFDKSKTVYE GPFASRSLSD CVNYIVQDSK IQLPIIQLRK CC VWAEAVHYVS GLKEDYSRLF QGQRAAMLSL LRYNANLTKM KNTLISASQQ LKAKLEFFHK CC SIQLDLERYS EQMTYGISSE KMLKAWKEME EKAIHYAEVG VIGYLEDQIM SLHAEIMELQ CC KSPYGRRQGD LMESLEQRAI DLYKQLKHRP SDHSYSDSTE MVKIIVHTVQ SQDRVLKELF CC GHLSKLLGCK QKIIDLLPKV EVALSNIKEA DNTVMFMQGK RQKEIWHLLK IACTQ CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES DPEFGAGGPWEMRERLGTGGFGNVCLYQHRELDLKIAIKSCRLELSTKNR CC ATOM DPEFGAGGPWEMRERLGTGGFGNVCLYQHRELDLKIAIKSCRLELSTKNR CC ************************************************** CC SEQRES ERWCHEIQIMKKLNHANVVKACDVPEELNILIHDVPLLAMEYCSGGDLRK CC ATOM ERWCHEIQIMKKLNHANVVKACDVPEELNILIHDVPLLAMEYCSGGDLRK CC ************************************************** CC SEQRES LLNKPENCCGLKESQILSLLSDIGSGIRYLHENKIIHRDLKPENIVLQDV CC ATOM LLNKPENCCGLKESQILSLLSDIGSGIRYLHENKIIHRDLKPENIVLQDV CC ************************************************** CC SEQRES GGKIIHKIIDLGYAKDVDQGELCTEFVGTLQYLAPELFENKPYTATVDYW CC ATOM GGKIIHKIIDLGYAKDVDQGELCTEFVGTLQYLAPELFENKPYTATVDYW CC ************************************************** CC SEQRES SFGTMVFECIAGYRPFLHHLQPFTWHEKIKKKDPKCIFACEEMSGEVRFS CC ATOM SFGTMVFECIAGYRPFLHHLQPFTWHEKIKKKDPKCIFACEEMSGEVRFS CC ************************************************** CC SEQRES SHLPQPNSLCSLIVEPMENWLQLMLNWDPQQRGGPVDLTLKQPRCFVLMD CC ATOM SHLPQPNSLCSLIVEPMENWLQLMLNWDPQQRGGPVDLTLKQPRCFVLMD CC ************************************************** CC SEQRES HILNLKIVHILNMTSAKIISFLLPPDESLHSLQSRIERETGINTGSQELL CC ATOM HILNLKIVHILNMTSAKIISFLLPPDESLHSLQSRIERETGINTGSQELL CC ************************************************** CC SEQRES SETGISLDPRKPASQCVLDGVRGCDSYMVYLFDKSKTVYEGPFASRSLSD CC ATOM SETGISLDPRKPASQCVLDGVRGCDSYMVYLFDKSKTVYEGPFASRSLSD CC ************************************************** CC SEQRES CVNYIVQDSKIQLPIIQLRKVWAEAVHYVSGLKEDYSRLFQGQRAAMLSL CC ATOM CVNYIVQDSKIQLPIIQLRKVWAEAVHYVSGLKEDYSRLFQGQRAAMLSL CC ************************************************** CC SEQRES LRYNANLTKMKNTLISASQQLKAKLEFFHKSIQLDLERYSEQMTYGISSE CC ATOM LRYNANLTKMKNTLISASQQLKAKLEFFHKSIQLDLERYSEQMTYGISSE CC ************************************************** CC SEQRES KMLKAWKEMEEKAIHYAEVGVIGYLEDQIMSLHAEIMELQKSPYGRRQGD CC ATOM KMLKAWKEMEEKAIHYAEVGVIGYLEDQIMSLHAEIMELQKSPYGRRQGD CC ************************************************** CC SEQRES LMESLEQRAIDLYKQLKHRPSDHSYSDSTEMVKIIVHTVQSQDRVLKELF CC ATOM LMESLEQRAIDLYKQLKHRPSDHSYSDSTEMVKIIVHTVQSQDRVLKELF CC ************************************************** CC SEQRES GHLSKLLGCKQKIIDLLPKVEVALSNIKEADNTVMFMQGKRQKEIWHLLK CC ATOM GHLSKLLGCKQKIIDLLPKVEVALSNIKEADNTVMFMQGKRQKEIWHLLK CC ************************************************** CC SEQRES IACTQ CC ATOM IACTQ CC ***** SQ SEQUENCE 655 AA; MW; CN; DPEFGAGGPW EMRERLGTGG FGNVCLYQHR ELDLKIAIKS CRLELSTKNR ERWCHEIQIM KKLNHANVVK ACDVPEELNI LIHDVPLLAM EYCSGGDLRK LLNKPENCCG LKESQILSLL SDIGSGIRYL HENKIIHRDL KPENIVLQDV GGKIIHKIID LGYAKDVDQG ELCTEFVGTL QYLAPELFEN KPYTATVDYW SFGTMVFECI AGYRPFLHHL QPFTWHEKIK KKDPKCIFAC EEMSGEVRFS SHLPQPNSLC SLIVEPMENW LQLMLNWDPQ QRGGPVDLTL KQPRCFVLMD HILNLKIVHI LNMTSAKIIS FLLPPDESLH SLQSRIERET GINTGSQELL SETGISLDPR KPASQCVLDG VRGCDSYMVY LFDKSKTVYE GPFASRSLSD CVNYIVQDSK IQLPIIQLRK VWAEAVHYVS GLKEDYSRLF QGQRAAMLSL LRYNANLTKM KNTLISASQQ LKAKLEFFHK SIQLDLERYS EQMTYGISSE KMLKAWKEME EKAIHYAEVG VIGYLEDQIM SLHAEIMELQ KSPYGRRQGD LMESLEQRAI DLYKQLKHRP SDHSYSDSTE MVKIIVHTVQ SQDRVLKELF GHLSKLLGCK QKIIDLLPKV EVALSNIKEA DNTVMFMQGK RQKEIWHLLK IACTQ //