ID 4IIEA STANDARD; PRT; 841 AA. DT CONVERTED FROM PDB (SEQRES) 4IIE DE Beta-glucosidase 1 OS Aspergillus aculeatus CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.000 CC R-Factor 0.151 FT #SUB 83 102 TYR A 397 416 ARG B Protein S 8 FT #SUB 83 102 TYR A 398 417 LYS B Protein S 4 FT #SUB 341 360 ARG A 476 495 GLN B Protein S 1 FT #SUB 362 381 PHE A 397 416 ARG B Protein A 5 FT #SUB 364 383 ASN A 397 416 ARG B Protein S 1 FT #SUB 367 386 ARG A 455 474 LYS B Protein B 1 FT #SUB 368 387 ASN A 455 474 LYS B Protein S 1 FT #SUB 370 389 SER A 455 474 LYS B Protein S 2 FT #SUB 397 416 ARG A 83 102 TYR B Protein A 2 FT #SUB 398 417 LYS A 83 102 TYR B Protein S 5 FT #SUB 408 427 SER A 444 463 GLU B Protein S 4 FT #SUB 409 428 ASN A 460 479 ALA B Protein B 1 FT #SUB 410 429 SER A 461 480 ILE B Protein B 4 FT #SUB 410 429 SER A 462 481 THR B Protein A 7 FT #SUB 410 429 SER A 463 482 ASP B Protein B 2 FT #SUB 411 430 TYR A 461 480 ILE B Protein B 3 FT #SUB 411 430 TYR A 463 482 ASP B Protein S 1 FT #SUB 411 430 TYR A 466 485 ALA B Protein S 2 FT #SUB 411 430 TYR A 469 488 GLN B Protein A 4 FT #SUB 412 431 GLY A 460 479 ALA B Protein B 2 FT #SUB 414 433 ASN A 459 478 TYR B Protein S 3 FT #SUB 415 434 GLY A 469 488 GLN B Protein B 4 FT #SUB 437 456 PHE A 459 478 TYR B Protein B 4 FT #SUB 438 457 PRO A 457 476 SER B Protein B 6 FT #SUB 438 457 PRO A 458 477 VAL B Protein B 2 FT #SUB 438 457 PRO A 459 478 TYR B Protein B 7 FT #SUB 439 458 TYR A 452 471 LEU B Protein S 4 FT #SUB 439 458 TYR A 458 477 VAL B Protein A 2 FT #SUB 439 458 TYR A 459 478 TYR B Protein B 2 FT #SUB 440 459 LEU A 448 467 GLN B Protein B 3 FT #SUB 441 460 VAL A 448 467 GLN B Protein B 1 FT #SUB 441 460 VAL A 452 471 LEU B Protein S 1 FT #SUB 444 463 GLU A 408 427 SER B Protein S 4 FT #SUB 444 463 GLU A 445 464 GLN B Protein S 2 FT #SUB 445 464 GLN A 444 463 GLU B Protein S 2 FT #SUB 445 464 GLN A 445 464 GLN B Protein S 1 FT #SUB 445 464 GLN A 448 467 GLN B Protein S 3 FT #SUB 448 467 GLN A 440 459 LEU B Protein S 3 FT #SUB 448 467 GLN A 441 460 VAL B Protein S 1 FT #SUB 448 467 GLN A 445 464 GLN B Protein S 3 FT #SUB 452 471 LEU A 439 458 TYR B Protein S 5 FT #SUB 452 471 LEU A 441 460 VAL B Protein S 1 FT #SUB 455 474 LYS A 367 386 ARG B Protein S 1 FT #SUB 455 474 LYS A 370 389 SER B Protein S 2 FT #SUB 457 476 SER A 438 457 PRO B Protein A 5 FT #SUB 458 477 VAL A 438 457 PRO B Protein B 2 FT #SUB 458 477 VAL A 439 458 TYR B Protein B 2 FT #SUB 459 478 TYR A 414 433 ASN B Protein S 3 FT #SUB 459 478 TYR A 437 456 PHE B Protein S 5 FT #SUB 459 478 TYR A 438 457 PRO B Protein S 7 FT #SUB 459 478 TYR A 439 458 TYR B Protein S 2 FT #SUB 460 479 ALA A 409 428 ASN B Protein B 1 FT #SUB 460 479 ALA A 412 431 GLY B Protein B 2 FT #SUB 461 480 ILE A 410 429 SER B Protein A 3 FT #SUB 461 480 ILE A 411 430 TYR B Protein S 3 FT #SUB 462 481 THR A 410 429 SER B Protein A 8 FT #SUB 463 482 ASP A 410 429 SER B Protein A 2 FT #SUB 463 482 ASP A 411 430 TYR B Protein S 1 FT #SUB 466 485 ALA A 411 430 TYR B Protein S 1 FT #SUB 469 488 GLN A 411 430 TYR B Protein S 6 FT #SUB 469 488 GLN A 415 434 GLY B Protein S 4 FT #SUB 476 495 GLN A 341 360 ARG B Protein S 3 FT #HET 5 24 PHE A 5 1 NAG D B 2 FT #HET 6 25 SER A 5 1 NAG D A 5 FT #HET 6 25 SER A 17 8 MAN F B 3 FT #HET 7 26 PRO A 5 1 NAG D S 1 FT #HET 7 26 PRO A 17 8 MAN F B 1 FT #HET 8 27 PRO A 17 8 MAN F A 7 FT #HET 10 29 TYR A 16 7 MAN F S 1 FT #HET 38 57 ASP A 1 1 NAG C A 4 FT #HET 39 58 GLU A 1 1 NAG C A 4 FT #HET 49 68 TRP A 85 941 MRD A S 1 FT #HET 59 78 GLY A 1 1 NAG C B 9 FT #HET 60 79 GLY A 1 1 NAG C B 3 FT #HET 62 81 PRO A 1 1 NAG C S 2 FT #HET 62 81 PRO A 2 2 NAG C S 1 FT #HET 73 92 ASP A 87 943 CGB A S 11 FT #HET 79 98 ARG A 85 941 MRD A S 7 FT #HET 80 99 ASP A 84 940 MRD A A 4 FT #HET 122 141 LEU A 87 943 CGB A S 2 FT #HET 137 156 ARG A 87 943 CGB A S 7 FT #HET 170 189 LYS A 87 943 CGB A S 6 FT #HET 171 190 HIS A 87 943 CGB A S 6 FT #HET 194 213 SER A 14 5 MAN F B 1 FT #HET 195 214 ASP A 14 5 MAN F S 4 FT #HET 201 220 VAL A 5 1 NAG D B 4 FT #HET 202 221 ASP A 6 2 NAG D A 5 FT #HET 203 222 ASP A 5 1 NAG D A 2 FT #HET 203 222 ASP A 6 2 NAG D A 3 FT #HET 226 245 MET A 87 943 CGB A S 3 FT #HET 229 248 TYR A 87 943 CGB A S 6 FT #HET 232 251 ILE A 5 1 NAG D S 1 FT #HET 235 254 SER A 16 7 MAN F S 1 FT #HET 235 254 SER A 17 8 MAN F S 1 FT #HET 239 258 GLN A 13 4 MAN F S 8 FT #HET 239 258 GLN A 16 7 MAN F A 7 FT #HET 242 261 TYR A 5 1 NAG D S 3 FT #HET 242 261 TYR A 6 2 NAG D S 3 FT #HET 243 262 THR A 5 1 NAG D S 1 FT #HET 261 280 ASP A 87 943 CGB A S 10 FT #HET 262 281 TRP A 87 943 CGB A S 2 FT #HET 266 285 HIS A 13 4 MAN F A 4 FT #HET 266 285 HIS A 14 5 MAN F A 5 FT #HET 267 286 SER A 13 4 MAN F S 2 FT #HET 268 287 GLY A 11 2 NAG F B 5 FT #HET 269 288 VAL A 10 1 NAG F S 1 FT #HET 269 288 VAL A 11 2 NAG F A 5 FT #HET 270 289 GLY A 16 7 MAN F B 1 FT #HET 284 303 ILE A 8 1 NAG E S 1 FT #HET 284 303 ILE A 9 2 NAG E S 2 FT #HET 286 305 PHE A 85 941 MRD A S 1 FT #HET 290 309 THR A 8 1 NAG E A 5 FT #HET 291 310 SER A 8 1 NAG E B 7 FT #HET 292 311 PHE A 8 1 NAG E S 4 FT #HET 292 311 PHE A 11 2 NAG F B 1 FT #HET 292 311 PHE A 14 5 MAN F S 2 FT #HET 295 314 THR A 8 1 NAG E S 2 FT #HET 296 315 ASN A 10 1 NAG F A 3 FT #HET 296 315 ASN A 11 2 NAG F S 4 FT #HET 299 318 ILE A 10 1 NAG F S 1 FT #HET 300 319 ALA A 10 1 NAG F B 2 FT #HET 305 324 THR A 10 1 NAG F S 5 FT #HET 338 357 SER A 84 940 MRD A B 1 FT #HET 339 358 TRP A 84 940 MRD A B 2 FT #HET 340 359 THR A 77 5 MAN P S 3 FT #HET 340 359 THR A 84 940 MRD A B 2 FT #HET 341 360 ARG A 84 940 MRD A S 5 FT #HET 342 361 ASP A 77 5 MAN P S 7 FT #HET 344 363 TYR A 76 4 MAN P B 1 FT #HET 346 365 PHE A 79 7 MAN P S 2 FT #HET 348 367 TYR A 2 2 NAG C S 4 FT #HET 349 368 PHE A 77 5 MAN P S 1 FT #HET 352 371 GLN A 76 4 MAN P S 1 FT #HET 352 371 GLN A 77 5 MAN P S 1 FT #HET 352 371 GLN A 78 6 MAN P S 3 FT #HET 355 374 PRO A 4 4 MAN C S 1 FT #HET 356 375 TYR A 76 4 MAN P S 8 FT #HET 356 375 TYR A 79 7 MAN P S 3 FT #HET 394 413 GLY A 83 939 MRD A B 1 FT #HET 395 414 LYS A 83 939 MRD A B 1 FT #HET 396 415 GLU A 83 939 MRD A B 1 FT #HET 397 416 ARG A 83 939 MRD A S 2 FT #HET 404 423 GLU A 20 1 NAG G S 3 FT #HET 411 430 TYR A 20 1 NAG G S 3 FT #HET 411 430 TYR A 70 5 MAN O S 7 FT #HET 411 430 TYR A 71 6 MAN O S 1 FT #HET 421 440 CYS A 20 1 NAG G S 2 FT #HET 432 451 SER A 85 941 MRD A S 1 FT #HET 432 451 SER A 87 943 CGB A S 7 FT #HET 436 455 GLU A 84 940 MRD A S 4 FT #HET 454 473 HIS A 83 939 MRD A B 3 FT #HET 455 474 LYS A 83 939 MRD A A 4 FT #HET 456 475 GLY A 83 939 MRD A B 2 FT #HET 463 482 ASP A 27 5 MAN H S 4 FT #HET 465 484 TRP A 24 2 NAG H S 1 FT #HET 465 484 TRP A 25 3 BMA H S 12 FT #HET 465 484 TRP A 26 4 MAN H S 5 FT #HET 465 484 TRP A 28 6 MAN H B 2 FT #HET 466 485 ALA A 28 6 MAN H A 6 FT #HET 469 488 GLN A 28 6 MAN H S 7 FT #HET 490 509 GLU A 87 943 CGB A S 7 FT #HET 492 511 TYR A 85 941 MRD A S 6 FT #HET 496 515 ASP A 21 2 NAG G S 3 FT #HET 496 515 ASP A 22 3 BMA G A 5 FT #HET 496 515 ASP A 23 1 NAG H A 7 FT #HET 496 515 ASP A 24 2 NAG H S 7 FT #HET 498 517 ASN A 23 1 NAG H S 3 FT #HET 508 527 TRP A 23 1 NAG H S 4 FT #HET 508 527 TRP A 24 2 NAG H A 4 FT #HET 509 528 LYS A 20 1 NAG G S 1 FT #HET 509 528 LYS A 24 2 NAG H B 3 FT #HET 519 538 ALA A 30 1 NAG I B 2 FT #HET 520 539 ASN A 30 1 NAG I A 7 FT #HET 520 539 ASN A 86 942 NA A A 6 FT #HET 521 540 ASN A 30 1 NAG I B 2 FT #HET 522 541 CYS A 30 1 NAG I B 2 FT #HET 523 542 ASN A 30 1 NAG I A 7 FT #HET 543 562 HIS A 30 1 NAG I S 2 FT #HET 600 619 ASN A 81 905 NAG A S 8 FT #HET 682 701 THR A 2 2 NAG C B 1 FT #HET 683 702 ARG A 82 938 NAG A S 3 FT #HET 684 703 ILE A 2 2 NAG C S 1 FT #HET 687 706 PHE A 1 1 NAG C S 2 FT #HET 687 706 PHE A 2 2 NAG C S 6 FT #HET 689 708 TYR A 2 2 NAG C S 7 FT #HET 691 710 TRP A 1 1 NAG C S 5 FT #HET 699 718 ALA A 82 938 NAG A B 2 FT #HET 700 719 SER A 8 1 NAG E B 1 FT #HET 700 719 SER A 82 938 NAG A B 2 FT #HET 701 720 SER A 8 1 NAG E B 7 FT #HET 701 720 SER A 10 1 NAG F S 1 FT #HET 701 720 SER A 82 938 NAG A B 1 FT #HET 702 721 GLY A 8 1 NAG E B 1 FT #HET 702 721 GLY A 9 2 NAG E B 1 FT #HET 702 721 GLY A 82 938 NAG A B 2 FT #HET 703 722 ASP A 8 1 NAG E S 1 FT #HET 703 722 ASP A 10 1 NAG F S 2 FT #HET 703 722 ASP A 11 2 NAG F S 7 FT #HET 704 723 PRO A 8 1 NAG E S 1 FT #HET 705 724 TYR A 11 2 NAG F A 4 FT #HET 705 724 TYR A 12 3 BMA F S 7 FT #HET 705 724 TYR A 15 6 MAN F S 2 FT #HET 705 724 TYR A 18 9 MAN F S 1 FT #HET 706 725 TYR A 10 1 NAG F A 13 FT #HET 707 726 GLY A 10 1 NAG F B 6 FT #HET 708 727 VAL A 11 2 NAG F B 5 FT #HET 708 727 VAL A 18 9 MAN F S 1 FT #HET 709 728 ASP A 18 9 MAN F S 4 FT #HET 710 729 THR A 10 1 NAG F S 5 FT #HET 710 729 THR A 11 2 NAG F A 5 FT #HET 713 732 HIS A 11 2 NAG F S 1 FT #HET 713 732 HIS A 12 3 BMA F S 6 FT #HET 713 732 HIS A 16 7 MAN F B 3 FT #HET 713 732 HIS A 18 9 MAN F S 9 FT #HET 713 732 HIS A 19 10 MAN F S 2 FT #HET 715 734 PRO A 16 7 MAN F S 4 FT #HET 808 827 VAL A 6 2 NAG D S 4 FT #HET 808 827 VAL A 7 3 BMA D S 2 FT #HET 809 828 ALA A 7 3 BMA D B 2 FT #HET 811 830 GLN A 6 2 NAG D S 1 FT #MOD 42 61 ASN A 1 1 NAG C S FT #MOD 192 211 ASN A 81 905 NAG A S FT #MOD 233 252 ASN A 5 1 NAG D S FT #MOD 296 315 ASN A 8 1 NAG E S FT #MOD 303 322 ASN A 10 1 NAG F S FT #MOD 423 442 ASN A 20 1 NAG G S FT #MOD 504 523 ASN A 23 1 NAG H S FT #MOD 545 564 ASN A 30 1 NAG I S FT #MOD 693 712 ASN A 82 938 NAG A S FT DISORDER 1 2 FT DISORDER 651 655 CC SEQUENCE 834 AA (ATOM); CC LAFSPPFYPS PWANGQGEWA EAYQRAVAIV SQMTLDEKVN LTTGTGWELE KCVGQTGGVP CC RLNIGGMCLQ DSPLGIRDSD YNSAFPAGVN VAATWDKNLA YLRGQAMGQE FSDKGIDVQL CC GPAAGPLGRS PDGGRNWEGF SPDPALTGVL FAETIKGIQD AGVVATAKHY ILNEQEHFRQ CC VAEAAGYGFN ISDTISSNVD DKTIHEMYLW PFADAVRAGV GAIMCSYNQI NNSYGCQNSY CC TLNKLLKAEL GFQGFVMSDW GAHHSGVGSA LAGLDMSMPG DITFDSATSF WGTNLTIAVL CC NGTVPQWRVD DMAVRIMAAY YKVGRDRLYQ PPNFSSWTRD EYGFKYFYPQ EGPYEKVNHF CC VNVQRNHSEV IRKLGADSTV LLKNNNALPL TGKERKVAIL GEDAGSNSYG ANGCSDRGCD CC NGTLAMAWGS GTAEFPYLVT PEQAIQAEVL KHKGSVYAIT DNWALSQVET LAKQASVSLV CC FVNSDAGEGY ISVDGNEGDR NNLTLWKNGD NLIKAAANNC NNTIVVIHSV GPVLVDEWYD CC HPNVTAILWA GLPGQESGNS LADVLYGRVN PGAKSPFTWG KTREAYGDYL VRELNNGNGA CC PQDDFSEGVF IDYRGFDKRN ETPIYEFGHG LSYTTFNYSG LHIQVLNAVA TETGAAPTFG CC QVGNASDYVY PEGLTRISKF IYPWLNSTDL KASSGDPYYG VDTAEHVPEG ATDGSPQPVL CC PAGGGSGGNP RLYDELIRVS VTVKNTGRVA GDAVPQLYVS LGGPNEPKVV LRKFDRLTLK CC PSEETVWTTT LTRRDLSNWD VAAQDWVITS YPKKVHVGSS SRQLPLHAAL PKVQ CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES DELAFSPPFYPSPWANGQGEWAEAYQRAVAIVSQMTLDEKVNLTTGTGWE CC ATOM --LAFSPPFYPSPWANGQGEWAEAYQRAVAIVSQMTLDEKVNLTTGTGWE CC ************************************************ CC SEQRES LEKCVGQTGGVPRLNIGGMCLQDSPLGIRDSDYNSAFPAGVNVAATWDKN CC ATOM LEKCVGQTGGVPRLNIGGMCLQDSPLGIRDSDYNSAFPAGVNVAATWDKN CC ************************************************** CC SEQRES LAYLRGQAMGQEFSDKGIDVQLGPAAGPLGRSPDGGRNWEGFSPDPALTG CC ATOM LAYLRGQAMGQEFSDKGIDVQLGPAAGPLGRSPDGGRNWEGFSPDPALTG CC ************************************************** CC SEQRES VLFAETIKGIQDAGVVATAKHYILNEQEHFRQVAEAAGYGFNISDTISSN CC ATOM VLFAETIKGIQDAGVVATAKHYILNEQEHFRQVAEAAGYGFNISDTISSN CC ************************************************** CC SEQRES VDDKTIHEMYLWPFADAVRAGVGAIMCSYNQINNSYGCQNSYTLNKLLKA CC ATOM VDDKTIHEMYLWPFADAVRAGVGAIMCSYNQINNSYGCQNSYTLNKLLKA CC ************************************************** CC SEQRES ELGFQGFVMSDWGAHHSGVGSALAGLDMSMPGDITFDSATSFWGTNLTIA CC ATOM ELGFQGFVMSDWGAHHSGVGSALAGLDMSMPGDITFDSATSFWGTNLTIA CC ************************************************** CC SEQRES VLNGTVPQWRVDDMAVRIMAAYYKVGRDRLYQPPNFSSWTRDEYGFKYFY CC ATOM VLNGTVPQWRVDDMAVRIMAAYYKVGRDRLYQPPNFSSWTRDEYGFKYFY CC ************************************************** CC SEQRES PQEGPYEKVNHFVNVQRNHSEVIRKLGADSTVLLKNNNALPLTGKERKVA CC ATOM PQEGPYEKVNHFVNVQRNHSEVIRKLGADSTVLLKNNNALPLTGKERKVA CC ************************************************** CC SEQRES ILGEDAGSNSYGANGCSDRGCDNGTLAMAWGSGTAEFPYLVTPEQAIQAE CC ATOM ILGEDAGSNSYGANGCSDRGCDNGTLAMAWGSGTAEFPYLVTPEQAIQAE CC ************************************************** CC SEQRES VLKHKGSVYAITDNWALSQVETLAKQASVSLVFVNSDAGEGYISVDGNEG CC ATOM VLKHKGSVYAITDNWALSQVETLAKQASVSLVFVNSDAGEGYISVDGNEG CC ************************************************** CC SEQRES DRNNLTLWKNGDNLIKAAANNCNNTIVVIHSVGPVLVDEWYDHPNVTAIL CC ATOM DRNNLTLWKNGDNLIKAAANNCNNTIVVIHSVGPVLVDEWYDHPNVTAIL CC ************************************************** CC SEQRES WAGLPGQESGNSLADVLYGRVNPGAKSPFTWGKTREAYGDYLVRELNNGN CC ATOM WAGLPGQESGNSLADVLYGRVNPGAKSPFTWGKTREAYGDYLVRELNNGN CC ************************************************** CC SEQRES GAPQDDFSEGVFIDYRGFDKRNETPIYEFGHGLSYTTFNYSGLHIQVLNA CC ATOM GAPQDDFSEGVFIDYRGFDKRNETPIYEFGHGLSYTTFNYSGLHIQVLNA CC ************************************************** CC SEQRES SSNAQVATETGAAPTFGQVGNASDYVYPEGLTRISKFIYPWLNSTDLKAS CC ATOM -----VATETGAAPTFGQVGNASDYVYPEGLTRISKFIYPWLNSTDLKAS CC ********************************************* CC SEQRES SGDPYYGVDTAEHVPEGATDGSPQPVLPAGGGSGGNPRLYDELIRVSVTV CC ATOM SGDPYYGVDTAEHVPEGATDGSPQPVLPAGGGSGGNPRLYDELIRVSVTV CC ************************************************** CC SEQRES KNTGRVAGDAVPQLYVSLGGPNEPKVVLRKFDRLTLKPSEETVWTTTLTR CC ATOM KNTGRVAGDAVPQLYVSLGGPNEPKVVLRKFDRLTLKPSEETVWTTTLTR CC ************************************************** CC SEQRES RDLSNWDVAAQDWVITSYPKKVHVGSSSRQLPLHAALPKVQ CC ATOM RDLSNWDVAAQDWVITSYPKKVHVGSSSRQLPLHAALPKVQ CC ***************************************** SQ SEQUENCE 841 AA; MW; CN; DELAFSPPFY PSPWANGQGE WAEAYQRAVA IVSQMTLDEK VNLTTGTGWE LEKCVGQTGG VPRLNIGGMC LQDSPLGIRD SDYNSAFPAG VNVAATWDKN LAYLRGQAMG QEFSDKGIDV QLGPAAGPLG RSPDGGRNWE GFSPDPALTG VLFAETIKGI QDAGVVATAK HYILNEQEHF RQVAEAAGYG FNISDTISSN VDDKTIHEMY LWPFADAVRA GVGAIMCSYN QINNSYGCQN SYTLNKLLKA ELGFQGFVMS DWGAHHSGVG SALAGLDMSM PGDITFDSAT SFWGTNLTIA VLNGTVPQWR VDDMAVRIMA AYYKVGRDRL YQPPNFSSWT RDEYGFKYFY PQEGPYEKVN HFVNVQRNHS EVIRKLGADS TVLLKNNNAL PLTGKERKVA ILGEDAGSNS YGANGCSDRG CDNGTLAMAW GSGTAEFPYL VTPEQAIQAE VLKHKGSVYA ITDNWALSQV ETLAKQASVS LVFVNSDAGE GYISVDGNEG DRNNLTLWKN GDNLIKAAAN NCNNTIVVIH SVGPVLVDEW YDHPNVTAIL WAGLPGQESG NSLADVLYGR VNPGAKSPFT WGKTREAYGD YLVRELNNGN GAPQDDFSEG VFIDYRGFDK RNETPIYEFG HGLSYTTFNY SGLHIQVLNA SSNAQVATET GAAPTFGQVG NASDYVYPEG LTRISKFIYP WLNSTDLKAS SGDPYYGVDT AEHVPEGATD GSPQPVLPAG GGSGGNPRLY DELIRVSVTV KNTGRVAGDA VPQLYVSLGG PNEPKVVLRK FDRLTLKPSE ETVWTTTLTR RDLSNWDVAA QDWVITSYPK KVHVGSSSRQ LPLHAALPKV Q // ID 4IIEB STANDARD; PRT; 841 AA. DT CONVERTED FROM PDB (SEQRES) 4IIE DE Beta-glucosidase 1 OS Aspergillus aculeatus CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.000 CC R-Factor 0.151 FT #SUB 83 102 TYR B 397 416 ARG A Protein S 2 FT #SUB 83 102 TYR B 398 417 LYS A Protein S 5 FT #SUB 341 360 ARG B 476 495 GLN A Protein S 3 FT #SUB 367 386 ARG B 455 474 LYS A Protein B 1 FT #SUB 370 389 SER B 455 474 LYS A Protein S 2 FT #SUB 397 416 ARG B 83 102 TYR A Protein A 8 FT #SUB 397 416 ARG B 362 381 PHE A Protein S 5 FT #SUB 397 416 ARG B 364 383 ASN A Protein S 1 FT #SUB 398 417 LYS B 83 102 TYR A Protein S 4 FT #SUB 408 427 SER B 444 463 GLU A Protein S 4 FT #SUB 409 428 ASN B 460 479 ALA A Protein B 1 FT #SUB 410 429 SER B 461 480 ILE A Protein B 3 FT #SUB 410 429 SER B 462 481 THR A Protein A 8 FT #SUB 410 429 SER B 463 482 ASP A Protein B 2 FT #SUB 411 430 TYR B 461 480 ILE A Protein B 3 FT #SUB 411 430 TYR B 463 482 ASP A Protein S 1 FT #SUB 411 430 TYR B 466 485 ALA A Protein S 1 FT #SUB 411 430 TYR B 469 488 GLN A Protein A 6 FT #SUB 412 431 GLY B 460 479 ALA A Protein B 2 FT #SUB 414 433 ASN B 459 478 TYR A Protein S 3 FT #SUB 415 434 GLY B 469 488 GLN A Protein B 4 FT #SUB 437 456 PHE B 459 478 TYR A Protein B 5 FT #SUB 438 457 PRO B 457 476 SER A Protein B 5 FT #SUB 438 457 PRO B 458 477 VAL A Protein B 2 FT #SUB 438 457 PRO B 459 478 TYR A Protein B 7 FT #SUB 439 458 TYR B 452 471 LEU A Protein S 5 FT #SUB 439 458 TYR B 458 477 VAL A Protein A 2 FT #SUB 439 458 TYR B 459 478 TYR A Protein B 2 FT #SUB 440 459 LEU B 448 467 GLN A Protein B 3 FT #SUB 441 460 VAL B 448 467 GLN A Protein B 1 FT #SUB 441 460 VAL B 452 471 LEU A Protein S 1 FT #SUB 444 463 GLU B 408 427 SER A Protein S 4 FT #SUB 444 463 GLU B 445 464 GLN A Protein S 2 FT #SUB 445 464 GLN B 444 463 GLU A Protein S 2 FT #SUB 445 464 GLN B 445 464 GLN A Protein S 1 FT #SUB 445 464 GLN B 448 467 GLN A Protein S 3 FT #SUB 448 467 GLN B 440 459 LEU A Protein S 3 FT #SUB 448 467 GLN B 441 460 VAL A Protein S 1 FT #SUB 448 467 GLN B 445 464 GLN A Protein S 3 FT #SUB 452 471 LEU B 439 458 TYR A Protein S 4 FT #SUB 452 471 LEU B 441 460 VAL A Protein S 1 FT #SUB 455 474 LYS B 367 386 ARG A Protein S 1 FT #SUB 455 474 LYS B 368 387 ASN A Protein S 1 FT #SUB 455 474 LYS B 370 389 SER A Protein S 2 FT #SUB 457 476 SER B 438 457 PRO A Protein A 6 FT #SUB 458 477 VAL B 438 457 PRO A Protein B 2 FT #SUB 458 477 VAL B 439 458 TYR A Protein B 2 FT #SUB 459 478 TYR B 414 433 ASN A Protein S 3 FT #SUB 459 478 TYR B 437 456 PHE A Protein S 4 FT #SUB 459 478 TYR B 438 457 PRO A Protein S 7 FT #SUB 459 478 TYR B 439 458 TYR A Protein S 2 FT #SUB 460 479 ALA B 409 428 ASN A Protein B 1 FT #SUB 460 479 ALA B 412 431 GLY A Protein B 2 FT #SUB 461 480 ILE B 410 429 SER A Protein A 4 FT #SUB 461 480 ILE B 411 430 TYR A Protein S 3 FT #SUB 462 481 THR B 410 429 SER A Protein A 7 FT #SUB 463 482 ASP B 410 429 SER A Protein A 2 FT #SUB 463 482 ASP B 411 430 TYR A Protein S 1 FT #SUB 466 485 ALA B 411 430 TYR A Protein S 2 FT #SUB 469 488 GLN B 411 430 TYR A Protein S 4 FT #SUB 469 488 GLN B 415 434 GLY A Protein S 4 FT #SUB 476 495 GLN B 341 360 ARG A Protein S 1 FT #HET 5 24 PHE B 44 1 NAG K B 1 FT #HET 5 24 PHE B 60 8 MAN M S 1 FT #HET 6 25 SER B 44 1 NAG K A 5 FT #HET 6 25 SER B 60 8 MAN M B 3 FT #HET 7 26 PRO B 44 1 NAG K A 2 FT #HET 7 26 PRO B 60 8 MAN M B 1 FT #HET 8 27 PRO B 60 8 MAN M A 7 FT #HET 10 29 TYR B 59 7 MAN M S 1 FT #HET 38 57 ASP B 37 1 NAG J A 4 FT #HET 39 58 GLU B 37 1 NAG J S 2 FT #HET 49 68 TRP B 91 948 MRD B S 3 FT #HET 59 78 GLY B 37 1 NAG J B 8 FT #HET 60 79 GLY B 37 1 NAG J B 1 FT #HET 62 81 PRO B 37 1 NAG J S 2 FT #HET 62 81 PRO B 38 2 NAG J S 2 FT #HET 73 92 ASP B 95 952 CGB B S 11 FT #HET 79 98 ARG B 91 948 MRD B S 8 FT #HET 80 99 ASP B 92 949 MRD B A 6 FT #HET 122 141 LEU B 95 952 CGB B S 2 FT #HET 137 156 ARG B 95 952 CGB B S 8 FT #HET 170 189 LYS B 95 952 CGB B S 7 FT #HET 171 190 HIS B 95 952 CGB B S 6 FT #HET 194 213 SER B 57 5 MAN M B 1 FT #HET 195 214 ASP B 57 5 MAN M S 4 FT #HET 200 219 ASN B 93 950 MRD B A 3 FT #HET 201 220 VAL B 44 1 NAG K B 4 FT #HET 202 221 ASP B 45 2 NAG K A 5 FT #HET 202 221 ASP B 93 950 MRD B A 3 FT #HET 203 222 ASP B 44 1 NAG K A 3 FT #HET 203 222 ASP B 45 2 NAG K A 4 FT #HET 226 245 MET B 95 952 CGB B S 3 FT #HET 229 248 TYR B 95 952 CGB B S 6 FT #HET 232 251 ILE B 44 1 NAG K S 1 FT #HET 235 254 SER B 60 8 MAN M S 1 FT #HET 239 258 GLN B 56 4 MAN M S 7 FT #HET 239 258 GLN B 59 7 MAN M A 7 FT #HET 242 261 TYR B 44 1 NAG K S 4 FT #HET 242 261 TYR B 45 2 NAG K S 3 FT #HET 243 262 THR B 44 1 NAG K S 1 FT #HET 246 265 LYS B 49 6 MAN K S 2 FT #HET 261 280 ASP B 95 952 CGB B S 10 FT #HET 262 281 TRP B 95 952 CGB B S 2 FT #HET 266 285 HIS B 56 4 MAN M A 4 FT #HET 266 285 HIS B 57 5 MAN M A 5 FT #HET 267 286 SER B 56 4 MAN M S 2 FT #HET 268 287 GLY B 54 2 NAG M B 5 FT #HET 269 288 VAL B 53 1 NAG M S 2 FT #HET 269 288 VAL B 54 2 NAG M A 5 FT #HET 270 289 GLY B 59 7 MAN M B 1 FT #HET 284 303 ILE B 50 1 NAG L S 1 FT #HET 284 303 ILE B 51 2 NAG L S 2 FT #HET 286 305 PHE B 91 948 MRD B S 1 FT #HET 290 309 THR B 50 1 NAG L A 5 FT #HET 291 310 SER B 50 1 NAG L B 8 FT #HET 292 311 PHE B 50 1 NAG L S 4 FT #HET 292 311 PHE B 54 2 NAG M B 1 FT #HET 292 311 PHE B 57 5 MAN M S 2 FT #HET 295 314 THR B 50 1 NAG L S 1 FT #HET 296 315 ASN B 53 1 NAG M A 3 FT #HET 296 315 ASN B 54 2 NAG M S 4 FT #HET 299 318 ILE B 53 1 NAG M S 1 FT #HET 300 319 ALA B 53 1 NAG M A 4 FT #HET 305 324 THR B 53 1 NAG M S 6 FT #HET 338 357 SER B 92 949 MRD B B 1 FT #HET 339 358 TRP B 92 949 MRD B B 2 FT #HET 340 359 THR B 34 5 MAN I S 3 FT #HET 340 359 THR B 92 949 MRD B B 1 FT #HET 341 360 ARG B 92 949 MRD B S 6 FT #HET 342 361 ASP B 34 5 MAN I S 6 FT #HET 344 363 TYR B 33 4 MAN I B 1 FT #HET 346 365 PHE B 36 7 MAN I S 1 FT #HET 348 367 TYR B 38 2 NAG J S 4 FT #HET 349 368 PHE B 34 5 MAN I S 1 FT #HET 352 371 GLN B 34 5 MAN I S 1 FT #HET 352 371 GLN B 35 6 MAN I S 4 FT #HET 355 374 PRO B 43 7 MAN J S 2 FT #HET 356 375 TYR B 33 4 MAN I S 8 FT #HET 356 375 TYR B 36 7 MAN I S 2 FT #HET 364 383 ASN B 83 939 MRD A S 1 FT #HET 404 423 GLU B 63 1 NAG N S 3 FT #HET 411 430 TYR B 27 5 MAN H S 7 FT #HET 411 430 TYR B 28 6 MAN H S 5 FT #HET 411 430 TYR B 63 1 NAG N S 2 FT #HET 421 440 CYS B 63 1 NAG N S 3 FT #HET 432 451 SER B 91 948 MRD B S 1 FT #HET 432 451 SER B 95 952 CGB B S 7 FT #HET 436 455 GLU B 92 949 MRD B S 4 FT #HET 463 482 ASP B 70 5 MAN O S 4 FT #HET 465 484 TRP B 67 2 NAG O S 1 FT #HET 465 484 TRP B 68 3 BMA O S 10 FT #HET 465 484 TRP B 69 4 MAN O S 6 FT #HET 465 484 TRP B 71 6 MAN O B 3 FT #HET 466 485 ALA B 71 6 MAN O A 6 FT #HET 469 488 GLN B 71 6 MAN O S 7 FT #HET 490 509 GLU B 95 952 CGB B S 6 FT #HET 492 511 TYR B 91 948 MRD B S 7 FT #HET 496 515 ASP B 64 2 NAG N S 5 FT #HET 496 515 ASP B 65 3 BMA N A 6 FT #HET 496 515 ASP B 66 1 NAG O A 6 FT #HET 496 515 ASP B 67 2 NAG O S 6 FT #HET 498 517 ASN B 66 1 NAG O S 4 FT #HET 508 527 TRP B 66 1 NAG O S 4 FT #HET 508 527 TRP B 67 2 NAG O A 4 FT #HET 509 528 LYS B 63 1 NAG N S 1 FT #HET 509 528 LYS B 67 2 NAG O A 4 FT #HET 519 538 ALA B 73 1 NAG P B 3 FT #HET 520 539 ASN B 73 1 NAG P A 8 FT #HET 520 539 ASN B 94 951 NA B A 5 FT #HET 521 540 ASN B 73 1 NAG P B 2 FT #HET 522 541 CYS B 73 1 NAG P B 3 FT #HET 523 542 ASN B 73 1 NAG P A 6 FT #HET 543 562 HIS B 73 1 NAG P S 6 FT #HET 600 619 ASN B 88 908 NAG B S 8 FT #HET 606 625 ASP B 93 950 MRD B S 1 FT #HET 607 626 PHE B 93 950 MRD B B 2 FT #HET 608 627 SER B 93 950 MRD B B 2 FT #HET 641 660 SER B 89 946 NAG B S 2 FT #HET 680 699 GLY B 41 5 MAN J B 3 FT #HET 681 700 LEU B 38 2 NAG J S 2 FT #HET 682 701 THR B 38 2 NAG J B 1 FT #HET 683 702 ARG B 90 947 NAG B S 4 FT #HET 684 703 ILE B 38 2 NAG J S 1 FT #HET 687 706 PHE B 37 1 NAG J S 2 FT #HET 687 706 PHE B 38 2 NAG J S 4 FT #HET 689 708 TYR B 38 2 NAG J S 6 FT #HET 691 710 TRP B 37 1 NAG J S 6 FT #HET 699 718 ALA B 90 947 NAG B B 3 FT #HET 700 719 SER B 50 1 NAG L B 1 FT #HET 700 719 SER B 90 947 NAG B B 1 FT #HET 701 720 SER B 50 1 NAG L B 7 FT #HET 701 720 SER B 53 1 NAG M S 1 FT #HET 702 721 GLY B 51 2 NAG L B 2 FT #HET 702 721 GLY B 90 947 NAG B B 2 FT #HET 703 722 ASP B 50 1 NAG L S 1 FT #HET 703 722 ASP B 53 1 NAG M S 1 FT #HET 703 722 ASP B 54 2 NAG M S 6 FT #HET 704 723 PRO B 50 1 NAG L S 1 FT #HET 705 724 TYR B 54 2 NAG M A 4 FT #HET 705 724 TYR B 55 3 BMA M S 8 FT #HET 705 724 TYR B 58 6 MAN M S 3 FT #HET 705 724 TYR B 61 9 MAN M S 1 FT #HET 706 725 TYR B 53 1 NAG M A 12 FT #HET 707 726 GLY B 53 1 NAG M B 6 FT #HET 707 726 GLY B 54 2 NAG M B 1 FT #HET 708 727 VAL B 54 2 NAG M B 4 FT #HET 709 728 ASP B 61 9 MAN M S 4 FT #HET 710 729 THR B 53 1 NAG M S 5 FT #HET 710 729 THR B 54 2 NAG M A 6 FT #HET 713 732 HIS B 55 3 BMA M S 5 FT #HET 713 732 HIS B 59 7 MAN M B 4 FT #HET 713 732 HIS B 61 9 MAN M S 9 FT #HET 713 732 HIS B 62 10 MAN M S 2 FT #HET 715 734 PRO B 59 7 MAN M S 5 FT #HET 808 827 VAL B 45 2 NAG K S 2 FT #HET 808 827 VAL B 48 5 MAN K S 2 FT #HET 809 828 ALA B 46 3 BMA K B 2 FT #HET 809 828 ALA B 49 6 MAN K B 1 FT #HET 811 830 GLN B 45 2 NAG K S 1 FT #HET 811 830 GLN B 49 6 MAN K S 2 FT #MOD 42 61 ASN B 37 1 NAG J S FT #MOD 192 211 ASN B 88 908 NAG B S FT #MOD 233 252 ASN B 44 1 NAG K S FT #MOD 296 315 ASN B 50 1 NAG L S FT #MOD 303 322 ASN B 53 1 NAG M S FT #MOD 423 442 ASN B 63 1 NAG N S FT #MOD 504 523 ASN B 66 1 NAG O S FT #MOD 545 564 ASN B 73 1 NAG P S FT #MOD 639 658 ASN B 89 946 NAG B S FT #MOD 693 712 ASN B 90 947 NAG B S FT DISORDER 1 2 FT DISORDER 650 656 CC SEQUENCE 832 AA (ATOM); CC LAFSPPFYPS PWANGQGEWA EAYQRAVAIV SQMTLDEKVN LTTGTGWELE KCVGQTGGVP CC RLNIGGMCLQ DSPLGIRDSD YNSAFPAGVN VAATWDKNLA YLRGQAMGQE FSDKGIDVQL CC GPAAGPLGRS PDGGRNWEGF SPDPALTGVL FAETIKGIQD AGVVATAKHY ILNEQEHFRQ CC VAEAAGYGFN ISDTISSNVD DKTIHEMYLW PFADAVRAGV GAIMCSYNQI NNSYGCQNSY CC TLNKLLKAEL GFQGFVMSDW GAHHSGVGSA LAGLDMSMPG DITFDSATSF WGTNLTIAVL CC NGTVPQWRVD DMAVRIMAAY YKVGRDRLYQ PPNFSSWTRD EYGFKYFYPQ EGPYEKVNHF CC VNVQRNHSEV IRKLGADSTV LLKNNNALPL TGKERKVAIL GEDAGSNSYG ANGCSDRGCD CC NGTLAMAWGS GTAEFPYLVT PEQAIQAEVL KHKGSVYAIT DNWALSQVET LAKQASVSLV CC FVNSDAGEGY ISVDGNEGDR NNLTLWKNGD NLIKAAANNC NNTIVVIHSV GPVLVDEWYD CC HPNVTAILWA GLPGQESGNS LADVLYGRVN PGAKSPFTWG KTREAYGDYL VRELNNGNGA CC PQDDFSEGVF IDYRGFDKRN ETPIYEFGHG LSYTTFNYSG LHIQVLNATE TGAAPTFGQV CC GNASDYVYPE GLTRISKFIY PWLNSTDLKA SSGDPYYGVD TAEHVPEGAT DGSPQPVLPA CC GGGSGGNPRL YDELIRVSVT VKNTGRVAGD AVPQLYVSLG GPNEPKVVLR KFDRLTLKPS CC EETVWTTTLT RRDLSNWDVA AQDWVITSYP KKVHVGSSSR QLPLHAALPK VQ CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES DELAFSPPFYPSPWANGQGEWAEAYQRAVAIVSQMTLDEKVNLTTGTGWE CC ATOM --LAFSPPFYPSPWANGQGEWAEAYQRAVAIVSQMTLDEKVNLTTGTGWE CC ************************************************ CC SEQRES LEKCVGQTGGVPRLNIGGMCLQDSPLGIRDSDYNSAFPAGVNVAATWDKN CC ATOM LEKCVGQTGGVPRLNIGGMCLQDSPLGIRDSDYNSAFPAGVNVAATWDKN CC ************************************************** CC SEQRES LAYLRGQAMGQEFSDKGIDVQLGPAAGPLGRSPDGGRNWEGFSPDPALTG CC ATOM LAYLRGQAMGQEFSDKGIDVQLGPAAGPLGRSPDGGRNWEGFSPDPALTG CC ************************************************** CC SEQRES VLFAETIKGIQDAGVVATAKHYILNEQEHFRQVAEAAGYGFNISDTISSN CC ATOM VLFAETIKGIQDAGVVATAKHYILNEQEHFRQVAEAAGYGFNISDTISSN CC ************************************************** CC SEQRES VDDKTIHEMYLWPFADAVRAGVGAIMCSYNQINNSYGCQNSYTLNKLLKA CC ATOM VDDKTIHEMYLWPFADAVRAGVGAIMCSYNQINNSYGCQNSYTLNKLLKA CC ************************************************** CC SEQRES ELGFQGFVMSDWGAHHSGVGSALAGLDMSMPGDITFDSATSFWGTNLTIA CC ATOM ELGFQGFVMSDWGAHHSGVGSALAGLDMSMPGDITFDSATSFWGTNLTIA CC ************************************************** CC SEQRES VLNGTVPQWRVDDMAVRIMAAYYKVGRDRLYQPPNFSSWTRDEYGFKYFY CC ATOM VLNGTVPQWRVDDMAVRIMAAYYKVGRDRLYQPPNFSSWTRDEYGFKYFY CC ************************************************** CC SEQRES PQEGPYEKVNHFVNVQRNHSEVIRKLGADSTVLLKNNNALPLTGKERKVA CC ATOM PQEGPYEKVNHFVNVQRNHSEVIRKLGADSTVLLKNNNALPLTGKERKVA CC ************************************************** CC SEQRES ILGEDAGSNSYGANGCSDRGCDNGTLAMAWGSGTAEFPYLVTPEQAIQAE CC ATOM ILGEDAGSNSYGANGCSDRGCDNGTLAMAWGSGTAEFPYLVTPEQAIQAE CC ************************************************** CC SEQRES VLKHKGSVYAITDNWALSQVETLAKQASVSLVFVNSDAGEGYISVDGNEG CC ATOM VLKHKGSVYAITDNWALSQVETLAKQASVSLVFVNSDAGEGYISVDGNEG CC ************************************************** CC SEQRES DRNNLTLWKNGDNLIKAAANNCNNTIVVIHSVGPVLVDEWYDHPNVTAIL CC ATOM DRNNLTLWKNGDNLIKAAANNCNNTIVVIHSVGPVLVDEWYDHPNVTAIL CC ************************************************** CC SEQRES WAGLPGQESGNSLADVLYGRVNPGAKSPFTWGKTREAYGDYLVRELNNGN CC ATOM WAGLPGQESGNSLADVLYGRVNPGAKSPFTWGKTREAYGDYLVRELNNGN CC ************************************************** CC SEQRES GAPQDDFSEGVFIDYRGFDKRNETPIYEFGHGLSYTTFNYSGLHIQVLNA CC ATOM GAPQDDFSEGVFIDYRGFDKRNETPIYEFGHGLSYTTFNYSGLHIQVLN- CC ************************************************* CC SEQRES SSNAQVATETGAAPTFGQVGNASDYVYPEGLTRISKFIYPWLNSTDLKAS CC ATOM ------ATETGAAPTFGQVGNASDYVYPEGLTRISKFIYPWLNSTDLKAS CC ******************************************** CC SEQRES SGDPYYGVDTAEHVPEGATDGSPQPVLPAGGGSGGNPRLYDELIRVSVTV CC ATOM SGDPYYGVDTAEHVPEGATDGSPQPVLPAGGGSGGNPRLYDELIRVSVTV CC ************************************************** CC SEQRES KNTGRVAGDAVPQLYVSLGGPNEPKVVLRKFDRLTLKPSEETVWTTTLTR CC ATOM KNTGRVAGDAVPQLYVSLGGPNEPKVVLRKFDRLTLKPSEETVWTTTLTR CC ************************************************** CC SEQRES RDLSNWDVAAQDWVITSYPKKVHVGSSSRQLPLHAALPKVQ CC ATOM RDLSNWDVAAQDWVITSYPKKVHVGSSSRQLPLHAALPKVQ CC ***************************************** SQ SEQUENCE 841 AA; MW; CN; DELAFSPPFY PSPWANGQGE WAEAYQRAVA IVSQMTLDEK VNLTTGTGWE LEKCVGQTGG VPRLNIGGMC LQDSPLGIRD SDYNSAFPAG VNVAATWDKN LAYLRGQAMG QEFSDKGIDV QLGPAAGPLG RSPDGGRNWE GFSPDPALTG VLFAETIKGI QDAGVVATAK HYILNEQEHF RQVAEAAGYG FNISDTISSN VDDKTIHEMY LWPFADAVRA GVGAIMCSYN QINNSYGCQN SYTLNKLLKA ELGFQGFVMS DWGAHHSGVG SALAGLDMSM PGDITFDSAT SFWGTNLTIA VLNGTVPQWR VDDMAVRIMA AYYKVGRDRL YQPPNFSSWT RDEYGFKYFY PQEGPYEKVN HFVNVQRNHS EVIRKLGADS TVLLKNNNAL PLTGKERKVA ILGEDAGSNS YGANGCSDRG CDNGTLAMAW GSGTAEFPYL VTPEQAIQAE VLKHKGSVYA ITDNWALSQV ETLAKQASVS LVFVNSDAGE GYISVDGNEG DRNNLTLWKN GDNLIKAAAN NCNNTIVVIH SVGPVLVDEW YDHPNVTAIL WAGLPGQESG NSLADVLYGR VNPGAKSPFT WGKTREAYGD YLVRELNNGN GAPQDDFSEG VFIDYRGFDK RNETPIYEFG HGLSYTTFNY SGLHIQVLNA SSNAQVATET GAAPTFGQVG NASDYVYPEG LTRISKFIYP WLNSTDLKAS SGDPYYGVDT AEHVPEGATD GSPQPVLPAG GGSGGNPRLY DELIRVSVTV KNTGRVAGDA VPQLYVSLGG PNEPKVVLRK FDRLTLKPSE ETVWTTTLTR RDLSNWDVAA QDWVITSYPK KVHVGSSSRQ LPLHAALPKV Q //