ID 4KQOA STANDARD; PRT; 564 AA. DT CONVERTED FROM PDB (SEQRES) 4KQO DE Penicillin-binding protein 3 OS Pseudomonas aeruginosa CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.310 CC R-Factor 0.219 FT #SUB 39 54 ARG A 304 319 TYR B Protein S 1 FT #SUB 105 120 ARG A 323 338 ARG B Protein S 6 FT #SUB 105 120 ARG A 324 339 GLN B Protein S 4 FT #SUB 107 122 PHE A 323 338 ARG B Protein S 2 FT #SUB 152 167 PHE A 458 473 ARG B Protein S 1 FT #SUB 155 170 VAL A 321 336 ASN B Protein S 1 FT #SUB 160 175 ARG A 518 533 PHE B Protein S 2 FT #SUB 161 176 GLU A 458 473 ARG B Protein S 4 FT #SUB 165 180 LEU A 515 530 ALA B Protein S 1 FT #SUB 259 274 ARG A 453 468 GLN B Protein S 2 FT #SUB 261 276 LEU A 457 472 PHE B Protein A 3 FT #SUB 261 276 LEU A 460 475 GLN B Protein B 1 FT #SUB 262 277 GLN A 460 475 GLN B Protein S 1 FT #SUB 263 278 PRO A 458 473 ARG B Protein S 2 FT #SUB 263 278 PRO A 460 475 GLN B Protein S 1 FT #SUB 263 278 PRO A 528 543 SER B Protein S 1 FT #SUB 266 281 MET A 457 472 PHE B Protein S 1 FT #SUB 266 281 MET A 458 473 ARG B Protein S 3 FT #SUB 267 282 ARG A 226 241 GLU B Protein S 5 FT #SUB 272 287 ILE A 226 241 GLU B Protein S 1 FT #SUB 369 384 PRO A 514 529 LYS B Protein A 2 FT #SUB 370 385 GLY A 226 241 GLU B Protein B 8 FT #SUB 370 385 GLY A 514 529 LYS B Protein B 1 FT #SUB 370 385 GLY A 515 530 ALA B Protein B 1 FT #SUB 371 386 GLU A 514 529 LYS B Protein B 3 FT #SUB 372 387 ARG A 222 237 ASN B Protein S 4 FT #SUB 372 387 ARG A 225 240 LEU B Protein S 5 FT #SUB 372 387 ARG A 226 241 GLU B Protein S 1 FT #SUB 380 395 ARG A 259 274 ARG B Protein S 1 FT #SUB 476 491 VAL A 218 233 ARG B Protein S 3 FT #SUB 477 492 SER A 218 233 ARG B Protein B 3 FT #SUB 479 494 GLY A 211 226 ARG B Protein B 9 FT #SUB 479 494 GLY A 214 229 TYR B Protein B 7 FT #SUB 480 495 THR A 214 229 TYR B Protein B 7 FT #SUB 480 495 THR A 218 233 ARG B Protein B 4 FT #SUB 481 496 LYS A 141 156 PRO B Protein S 2 FT #SUB 481 496 LYS A 214 229 TYR B Protein A 6 FT #SUB 481 496 LYS A 218 233 ARG B Protein B 1 FT #HET 231 246 ALA A 2 602 GOL A A 2 FT #HET 232 247 GLY A 2 602 GOL A B 6 FT #HET 233 248 SER A 2 602 GOL A A 7 FT #HET 269 284 ARG A 2 602 GOL A A 12 FT #HET 273 288 ASP A 2 602 GOL A S 1 FT #HET 275 290 PHE A 2 602 GOL A S 2 FT #HET 279 294 SER A 1 601 JPP A A 14 FT #HET 313 328 TYR A 1 601 JPP A S 7 FT #HET 318 333 VAL A 1 601 JPP A S 1 FT #HET 334 349 SER A 1 601 JPP A A 6 FT #HET 336 351 ASN A 1 601 JPP A S 4 FT #HET 365 380 GLY A 3 603 GOL A B 1 FT #HET 366 381 LEU A 3 603 GOL A S 1 FT #HET 389 404 THR A 1 601 JPP A S 1 FT #HET 392 407 TYR A 1 601 JPP A S 1 FT #HET 394 409 TYR A 1 601 JPP A S 31 FT #HET 419 434 LEU A 3 603 GOL A B 1 FT #HET 420 435 SER A 3 603 GOL A A 6 FT #HET 421 436 MET A 3 603 GOL A A 2 FT #HET 422 437 THR A 3 603 GOL A A 5 FT #HET 469 484 LYS A 1 601 JPP A S 1 FT #HET 470 485 SER A 1 601 JPP A A 8 FT #HET 471 486 GLY A 1 601 JPP A B 10 FT #HET 472 487 THR A 1 601 JPP A A 26 FT #HET 473 488 ALA A 1 601 JPP A B 2 FT #HET 474 489 ARG A 1 601 JPP A A 4 FT #HET 483 498 TYR A 1 601 JPP A S 9 FT #HET 508 523 VAL A 2 602 GOL A A 4 FT #HET 510 525 ASP A 2 602 GOL A S 11 FT #HET 518 533 PHE A 1 601 JPP A S 2 FT #HET 519 534 GLY A 1 601 JPP A B 1 FT DISORDER 1 34 FT DISORDER 548 564 CC SEQUENCE 513 AA (ATOM); CC ARSVRHIAIP AHRGLITDRN GEPLAVSTPV TTLWANPKEL MTAKERWPQL AAALGQDTKL CC FADRIEQNAE REFIYLVRGL TPEQGEGVIA LKVPGVYSIE EFRRFYPAGE VVAHAVGFTD CC VDDRGREGIE LAFDEWLAGV PGKRQVLKDR RGRVIKDVQV TKNAKPGKTL ALSIDLRLQY CC LAHRELRNAL LENGAKAGSL VIMDVKTGEI LAMTNQPTYN PNNRRNLQPA AMRNRAMIDV CC FEPGSTVKPF SMSAALASGR WKPSDIVDVY PGTLQIGRYT IRDVSRNSRQ LDLTGILIKS CC SNVGISKIAF DIGAESIYSV MQQVGLGQDT GLGFPGERVG NLPNHRKWPK AETATLAYGY CC GLSVTAIQLA HAYAALANDG KSVPLSMTRV DRVPDGVQVI SPEVASTVQG MLQQVVEAQG CC GVFRAQVPGY HAAGKSGTAR KVSVGTKGYR ENAYRSLFAG FAPATDPRIA MVVVIDEPSK CC AGYFGGLVSA PVFSKVMAGA LRLMNVPPDN LPT CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MAHHHHHHSSGLEVLFQGPDLHVIDHDFLKGQGDARSVRHIAIPAHRGLI CC ATOM ----------------------------------ARSVRHIAIPAHRGLI CC **************** CC SEQRES TDRNGEPLAVSTPVTTLWANPKELMTAKERWPQLAAALGQDTKLFADRIE CC ATOM TDRNGEPLAVSTPVTTLWANPKELMTAKERWPQLAAALGQDTKLFADRIE CC ************************************************** CC SEQRES QNAEREFIYLVRGLTPEQGEGVIALKVPGVYSIEEFRRFYPAGEVVAHAV CC ATOM QNAEREFIYLVRGLTPEQGEGVIALKVPGVYSIEEFRRFYPAGEVVAHAV CC ************************************************** CC SEQRES GFTDVDDRGREGIELAFDEWLAGVPGKRQVLKDRRGRVIKDVQVTKNAKP CC ATOM GFTDVDDRGREGIELAFDEWLAGVPGKRQVLKDRRGRVIKDVQVTKNAKP CC ************************************************** CC SEQRES GKTLALSIDLRLQYLAHRELRNALLENGAKAGSLVIMDVKTGEILAMTNQ CC ATOM GKTLALSIDLRLQYLAHRELRNALLENGAKAGSLVIMDVKTGEILAMTNQ CC ************************************************** CC SEQRES PTYNPNNRRNLQPAAMRNRAMIDVFEPGSTVKPFSMSAALASGRWKPSDI CC ATOM PTYNPNNRRNLQPAAMRNRAMIDVFEPGSTVKPFSMSAALASGRWKPSDI CC ************************************************** CC SEQRES VDVYPGTLQIGRYTIRDVSRNSRQLDLTGILIKSSNVGISKIAFDIGAES CC ATOM VDVYPGTLQIGRYTIRDVSRNSRQLDLTGILIKSSNVGISKIAFDIGAES CC ************************************************** CC SEQRES IYSVMQQVGLGQDTGLGFPGERVGNLPNHRKWPKAETATLAYGYGLSVTA CC ATOM IYSVMQQVGLGQDTGLGFPGERVGNLPNHRKWPKAETATLAYGYGLSVTA CC ************************************************** CC SEQRES IQLAHAYAALANDGKSVPLSMTRVDRVPDGVQVISPEVASTVQGMLQQVV CC ATOM IQLAHAYAALANDGKSVPLSMTRVDRVPDGVQVISPEVASTVQGMLQQVV CC ************************************************** CC SEQRES EAQGGVFRAQVPGYHAAGKSGTARKVSVGTKGYRENAYRSLFAGFAPATD CC ATOM EAQGGVFRAQVPGYHAAGKSGTARKVSVGTKGYRENAYRSLFAGFAPATD CC ************************************************** CC SEQRES PRIAMVVVIDEPSKAGYFGGLVSAPVFSKVMAGALRLMNVPPDNLPTATE CC ATOM PRIAMVVVIDEPSKAGYFGGLVSAPVFSKVMAGALRLMNVPPDNLPT--- CC *********************************************** CC SEQRES QQQVNAAPAKGGRG CC ATOM -------------- CC SQ SEQUENCE 564 AA; MW; CN; MAHHHHHHSS GLEVLFQGPD LHVIDHDFLK GQGDARSVRH IAIPAHRGLI TDRNGEPLAV STPVTTLWAN PKELMTAKER WPQLAAALGQ DTKLFADRIE QNAEREFIYL VRGLTPEQGE GVIALKVPGV YSIEEFRRFY PAGEVVAHAV GFTDVDDRGR EGIELAFDEW LAGVPGKRQV LKDRRGRVIK DVQVTKNAKP GKTLALSIDL RLQYLAHREL RNALLENGAK AGSLVIMDVK TGEILAMTNQ PTYNPNNRRN LQPAAMRNRA MIDVFEPGST VKPFSMSAAL ASGRWKPSDI VDVYPGTLQI GRYTIRDVSR NSRQLDLTGI LIKSSNVGIS KIAFDIGAES IYSVMQQVGL GQDTGLGFPG ERVGNLPNHR KWPKAETATL AYGYGLSVTA IQLAHAYAAL ANDGKSVPLS MTRVDRVPDG VQVISPEVAS TVQGMLQQVV EAQGGVFRAQ VPGYHAAGKS GTARKVSVGT KGYRENAYRS LFAGFAPATD PRIAMVVVID EPSKAGYFGG LVSAPVFSKV MAGALRLMNV PPDNLPTATE QQQVNAAPAK GGRG // ID 4KQOB STANDARD; PRT; 564 AA. DT CONVERTED FROM PDB (SEQRES) 4KQO DE Penicillin-binding protein 3 OS Pseudomonas aeruginosa CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.310 CC R-Factor 0.219 FT #SUB 141 156 PRO B 481 496 LYS A Protein B 2 FT #SUB 211 226 ARG B 479 494 GLY A Protein A 9 FT #SUB 214 229 TYR B 479 494 GLY A Protein S 7 FT #SUB 214 229 TYR B 480 495 THR A Protein S 7 FT #SUB 214 229 TYR B 481 496 LYS A Protein S 6 FT #SUB 218 233 ARG B 476 491 VAL A Protein S 3 FT #SUB 218 233 ARG B 477 492 SER A Protein S 3 FT #SUB 218 233 ARG B 480 495 THR A Protein S 4 FT #SUB 218 233 ARG B 481 496 LYS A Protein S 1 FT #SUB 222 237 ASN B 372 387 ARG A Protein S 4 FT #SUB 225 240 LEU B 372 387 ARG A Protein S 5 FT #SUB 226 241 GLU B 267 282 ARG A Protein S 5 FT #SUB 226 241 GLU B 272 287 ILE A Protein S 1 FT #SUB 226 241 GLU B 370 385 GLY A Protein A 8 FT #SUB 226 241 GLU B 372 387 ARG A Protein B 1 FT #SUB 259 274 ARG B 380 395 ARG A Protein S 1 FT #SUB 304 319 TYR B 39 54 ARG A Protein S 1 FT #SUB 321 336 ASN B 155 170 VAL A Protein S 1 FT #SUB 323 338 ARG B 105 120 ARG A Protein S 6 FT #SUB 323 338 ARG B 107 122 PHE A Protein S 2 FT #SUB 324 339 GLN B 105 120 ARG A Protein S 4 FT #SUB 453 468 GLN B 259 274 ARG A Protein S 2 FT #SUB 457 472 PHE B 261 276 LEU A Protein S 3 FT #SUB 457 472 PHE B 266 281 MET A Protein S 1 FT #SUB 458 473 ARG B 152 167 PHE A Protein S 1 FT #SUB 458 473 ARG B 161 176 GLU A Protein S 4 FT #SUB 458 473 ARG B 263 278 PRO A Protein B 2 FT #SUB 458 473 ARG B 266 281 MET A Protein S 3 FT #SUB 460 475 GLN B 261 276 LEU A Protein S 1 FT #SUB 460 475 GLN B 262 277 GLN A Protein S 1 FT #SUB 460 475 GLN B 263 278 PRO A Protein B 1 FT #SUB 514 529 LYS B 369 384 PRO A Protein B 2 FT #SUB 514 529 LYS B 370 385 GLY A Protein B 1 FT #SUB 514 529 LYS B 371 386 GLU A Protein S 3 FT #SUB 515 530 ALA B 165 180 LEU A Protein B 1 FT #SUB 515 530 ALA B 370 385 GLY A Protein S 1 FT #SUB 518 533 PHE B 160 175 ARG A Protein S 2 FT #SUB 528 543 SER B 263 278 PRO A Protein S 1 FT #HET 137 152 ARG B 8 605 CL B S 1 FT #HET 211 226 ARG B 6 603 IMD B S 1 FT #HET 232 247 GLY B 5 602 GOL B B 5 FT #HET 233 248 SER B 5 602 GOL B A 7 FT #HET 256 271 ASN B 8 605 CL B B 1 FT #HET 257 272 ASN B 8 605 CL B B 1 FT #HET 258 273 ARG B 8 605 CL B B 1 FT #HET 259 274 ARG B 8 605 CL B S 2 FT #HET 269 284 ARG B 5 602 GOL B A 6 FT #HET 273 288 ASP B 5 602 GOL B S 1 FT #HET 275 290 PHE B 5 602 GOL B S 3 FT #HET 278 293 GLY B 4 601 JPP B B 1 FT #HET 279 294 SER B 4 601 JPP B A 15 FT #HET 313 328 TYR B 4 601 JPP B S 6 FT #HET 318 333 VAL B 4 601 JPP B S 1 FT #HET 334 349 SER B 4 601 JPP B A 7 FT #HET 336 351 ASN B 4 601 JPP B S 4 FT #HET 392 407 TYR B 4 601 JPP B S 1 FT #HET 394 409 TYR B 4 601 JPP B S 17 FT #HET 469 484 LYS B 4 601 JPP B S 1 FT #HET 470 485 SER B 4 601 JPP B A 10 FT #HET 471 486 GLY B 4 601 JPP B B 11 FT #HET 472 487 THR B 4 601 JPP B A 22 FT #HET 473 488 ALA B 4 601 JPP B B 2 FT #HET 474 489 ARG B 4 601 JPP B A 5 FT #HET 475 490 LYS B 7 604 CL B A 4 FT #HET 476 491 VAL B 7 604 CL B A 2 FT #HET 483 498 TYR B 4 601 JPP B S 9 FT #HET 488 503 TYR B 4 601 JPP B S 1 FT #HET 489 504 ARG B 7 604 CL B S 2 FT #HET 508 523 VAL B 5 602 GOL B A 4 FT #HET 510 525 ASP B 5 602 GOL B S 10 FT #HET 518 533 PHE B 4 601 JPP B S 1 FT #HET 519 534 GLY B 4 601 JPP B B 1 FT #HET 536 551 ARG B 6 603 IMD B B 2 FT #HET 537 552 LEU B 6 603 IMD B A 2 FT #HET 539 554 ASN B 6 603 IMD B S 6 FT DISORDER 1 42 FT DISORDER 178 193 FT DISORDER 549 564 CC SEQUENCE 490 AA (ATOM); CC IPAHRGLITD RNGEPLAVST PVTTLWANPK ELMTAKERWP QLAAALGQDT KLFADRIEQN CC AEREFIYLVR GLTPEQGEGV IALKVPGVYS IEEFRRFYPA GEVVAHAVGF TDVDDRGREG CC IELAFDEWLA GVPGKVTKNA KPGKTLALSI DLRLQYLAHR ELRNALLENG AKAGSLVIMD CC VKTGEILAMT NQPTYNPNNR RNLQPAAMRN RAMIDVFEPG STVKPFSMSA ALASGRWKPS CC DIVDVYPGTL QIGRYTIRDV SRNSRQLDLT GILIKSSNVG ISKIAFDIGA ESIYSVMQQV CC GLGQDTGLGF PGERVGNLPN HRKWPKAETA TLAYGYGLSV TAIQLAHAYA ALANDGKSVP CC LSMTRVDRVP DGVQVISPEV ASTVQGMLQQ VVEAQGGVFR AQVPGYHAAG KSGTARKVSV CC GTKGYRENAY RSLFAGFAPA TDPRIAMVVV IDEPSKAGYF GGLVSAPVFS KVMAGALRLM CC NVPPDNLPTA CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MAHHHHHHSSGLEVLFQGPDLHVIDHDFLKGQGDARSVRHIAIPAHRGLI CC ATOM ------------------------------------------IPAHRGLI CC ******** CC SEQRES TDRNGEPLAVSTPVTTLWANPKELMTAKERWPQLAAALGQDTKLFADRIE CC ATOM TDRNGEPLAVSTPVTTLWANPKELMTAKERWPQLAAALGQDTKLFADRIE CC ************************************************** CC SEQRES QNAEREFIYLVRGLTPEQGEGVIALKVPGVYSIEEFRRFYPAGEVVAHAV CC ATOM QNAEREFIYLVRGLTPEQGEGVIALKVPGVYSIEEFRRFYPAGEVVAHAV CC ************************************************** CC SEQRES GFTDVDDRGREGIELAFDEWLAGVPGKRQVLKDRRGRVIKDVQVTKNAKP CC ATOM GFTDVDDRGREGIELAFDEWLAGVPGK----------------VTKNAKP CC *************************** ******* CC SEQRES GKTLALSIDLRLQYLAHRELRNALLENGAKAGSLVIMDVKTGEILAMTNQ CC ATOM GKTLALSIDLRLQYLAHRELRNALLENGAKAGSLVIMDVKTGEILAMTNQ CC ************************************************** CC SEQRES PTYNPNNRRNLQPAAMRNRAMIDVFEPGSTVKPFSMSAALASGRWKPSDI CC ATOM PTYNPNNRRNLQPAAMRNRAMIDVFEPGSTVKPFSMSAALASGRWKPSDI CC ************************************************** CC SEQRES VDVYPGTLQIGRYTIRDVSRNSRQLDLTGILIKSSNVGISKIAFDIGAES CC ATOM VDVYPGTLQIGRYTIRDVSRNSRQLDLTGILIKSSNVGISKIAFDIGAES CC ************************************************** CC SEQRES IYSVMQQVGLGQDTGLGFPGERVGNLPNHRKWPKAETATLAYGYGLSVTA CC ATOM IYSVMQQVGLGQDTGLGFPGERVGNLPNHRKWPKAETATLAYGYGLSVTA CC ************************************************** CC SEQRES IQLAHAYAALANDGKSVPLSMTRVDRVPDGVQVISPEVASTVQGMLQQVV CC ATOM IQLAHAYAALANDGKSVPLSMTRVDRVPDGVQVISPEVASTVQGMLQQVV CC ************************************************** CC SEQRES EAQGGVFRAQVPGYHAAGKSGTARKVSVGTKGYRENAYRSLFAGFAPATD CC ATOM EAQGGVFRAQVPGYHAAGKSGTARKVSVGTKGYRENAYRSLFAGFAPATD CC ************************************************** CC SEQRES PRIAMVVVIDEPSKAGYFGGLVSAPVFSKVMAGALRLMNVPPDNLPTATE CC ATOM PRIAMVVVIDEPSKAGYFGGLVSAPVFSKVMAGALRLMNVPPDNLPTA-- CC ************************************************ CC SEQRES QQQVNAAPAKGGRG CC ATOM -------------- CC SQ SEQUENCE 564 AA; MW; CN; MAHHHHHHSS GLEVLFQGPD LHVIDHDFLK GQGDARSVRH IAIPAHRGLI TDRNGEPLAV STPVTTLWAN PKELMTAKER WPQLAAALGQ DTKLFADRIE QNAEREFIYL VRGLTPEQGE GVIALKVPGV YSIEEFRRFY PAGEVVAHAV GFTDVDDRGR EGIELAFDEW LAGVPGKRQV LKDRRGRVIK DVQVTKNAKP GKTLALSIDL RLQYLAHREL RNALLENGAK AGSLVIMDVK TGEILAMTNQ PTYNPNNRRN LQPAAMRNRA MIDVFEPGST VKPFSMSAAL ASGRWKPSDI VDVYPGTLQI GRYTIRDVSR NSRQLDLTGI LIKSSNVGIS KIAFDIGAES IYSVMQQVGL GQDTGLGFPG ERVGNLPNHR KWPKAETATL AYGYGLSVTA IQLAHAYAAL ANDGKSVPLS MTRVDRVPDG VQVISPEVAS TVQGMLQQVV EAQGGVFRAQ VPGYHAAGKS GTARKVSVGT KGYRENAYRS LFAGFAPATD PRIAMVVVID EPSKAGYFGG LVSAPVFSKV MAGALRLMNV PPDNLPTATE QQQVNAAPAK GGRG //