ID 6WGWA STANDARD; PRT; 437 AA. DT CONVERTED FROM PDB (SEQRES) 6WGW DE Cytochrome P450 101D1 OS Novosphingobium aromaticivorans CC EXPDTA X-RAY DIFFRACTION CC RESOLU 1.730 CC R-Factor 0.189 FT #SUB 70 50 PRO A 372 352 ASP B Protein B 1 FT #SUB 71 51 ASP A 371 351 ARG B Protein S 2 FT #SUB 71 51 ASP A 372 352 ASP B Protein S 1 FT #SUB 91 71 THR A 94 74 ASP B Protein S 1 FT #SUB 95 75 GLU A 98 78 ARG B Protein S 1 FT #SUB 98 78 ARG A 102 82 ARG B Protein S 5 FT #SUB 336 316 HIS A 98 78 ARG B Protein S 14 FT #SUB 358 338 ARG A 91 71 THR B Protein A 5 FT #SUB 358 338 ARG A 358 338 ARG B Protein S 1 FT #SUB 358 338 ARG A 359 339 HIS B Protein S 2 FT #SUB 358 338 ARG A 372 352 ASP B Protein S 1 FT #SUB 359 339 HIS A 91 71 THR B Protein S 4 FT #SUB 359 339 HIS A 336 316 HIS B Protein S 1 FT #SUB 361 341 ASP A 70 50 PRO B Protein S 1 FT #SUB 361 341 ASP A 358 338 ARG B Protein S 13 FT #SUB 371 351 ARG A 334 314 GLU B Protein S 3 FT #SUB 371 351 ARG A 337 317 GLY B Protein A 12 FT #SUB 372 352 ASP A 336 316 HIS B Protein S 16 FT #SUB 374 354 THR A 336 316 HIS B Protein S 1 FT #HET 33 13 ARG A 6 506 SO4 A S 6 FT #HET 69 49 GLN A 5 505 SO4 A S 1 FT #HET 97 77 TYR A 1 501 HEM A S 1 FT #HET 109 89 TRP A 2 502 CAH A S 3 FT #HET 118 98 TYR A 2 502 CAH A S 4 FT #HET 122 102 PRO A 1 501 HEM A A 5 FT #HET 123 103 THR A 1 501 HEM A A 4 FT #HET 123 103 THR A 2 502 CAH A S 1 FT #HET 130 110 HIS A 1 501 HEM A S 5 FT #HET 134 114 ARG A 1 501 HEM A S 5 FT #HET 137 117 ILE A 1 501 HEM A S 1 FT #HET 185 165 PHE A 1 501 HEM A S 2 FT #HET 272 252 LEU A 1 501 HEM A S 2 FT #HET 272 252 LEU A 2 502 CAH A S 3 FT #HET 273 253 LEU A 1 501 HEM A A 3 FT #HET 275 255 LEU A 2 502 CAH A S 3 FT #HET 276 256 GLY A 1 501 HEM A B 6 FT #HET 276 256 GLY A 2 502 CAH A B 3 FT #HET 280 260 THR A 1 501 HEM A A 14 FT #HET 280 260 THR A 2 502 CAH A S 2 FT #HET 281 261 VAL A 1 501 HEM A A 3 FT #HET 284 264 PHE A 1 501 HEM A S 1 FT #HET 317 297 PHE A 1 501 HEM A S 1 FT #HET 322 302 VAL A 1 501 HEM A S 1 FT #HET 323 303 VAL A 1 501 HEM A S 3 FT #HET 323 303 VAL A 2 502 CAH A S 2 FT #HET 325 305 ASP A 1 501 HEM A S 5 FT #HET 327 307 ARG A 1 501 HEM A S 8 FT #HET 334 314 GLU A 3 503 SO4 A S 1 FT #HET 335 315 PHE A 3 503 SO4 A B 3 FT #HET 336 316 HIS A 3 503 SO4 A B 9 FT #HET 337 317 GLY A 3 503 SO4 A B 4 FT #HET 362 342 ASP A 4 504 SO4 A B 3 FT #HET 363 343 PRO A 4 504 SO4 A A 8 FT #HET 364 344 MET A 4 504 SO4 A A 7 FT #HET 377 357 THR A 1 501 HEM A A 4 FT #HET 378 358 PHE A 1 501 HEM A A 5 FT #HET 379 359 ALA A 1 501 HEM A A 3 FT #HET 382 362 PRO A 1 501 HEM A B 1 FT #HET 383 363 HIS A 1 501 HEM A A 14 FT #HET 385 365 CYS A 1 501 HEM A A 17 FT #HET 386 366 ALA A 1 501 HEM A A 5 FT #HET 387 367 GLY A 1 501 HEM A B 9 FT #HET 391 371 ALA A 1 501 HEM A S 1 FT #HET 424 404 VAL A 2 502 CAH A S 1 FT DISORDER 1 29 CC SEQUENCE 408 AA (ATOM); CC QKHRVAPPPH VPGHLIREID AYDLDGLEQG FHEAWKRVQQ PDTPPLVWTP FTGGHWIATR CC GTLIDEIYRS PERFSSRVIW VPREAGEAYD MVPTKLDPPE HTPYRKAIDK GLNLAEIRKL CC EDQIRTIAVE IIEGFADRGH CEFGSEFSTV FPVRVFLALA GLPVEDATKL GLLANEMTRP CC SGNTPEEQGR SLEAANKGFF EYVAPIIAAR RGGSGTDLIT RILNVEIDGK PMPDDRALGL CC VSLLLLGGLE TVVNFLGFMM IYLSRHPETV AEMRREPLKL QRGVEELFRR FAVVSDARYV CC VSDMEFHGTM LKEGDLILLP TALHGLDDRH HDDPMTVDLS RRDVTHSTFA QGPHRCAGMH CC LARLEVTVML QEWLARIPEF RLKDRAVPIY HSGIVAAVEN IPLEWEPQ CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MGSSHHHHHHSSGLVPRGSHMNAQTSTATQKHRVAPPPHVPGHLIREIDA CC ATOM -----------------------------QKHRVAPPPHVPGHLIREIDA CC ********************* CC SEQRES YDLDGLEQGFHEAWKRVQQPDTPPLVWTPFTGGHWIATRGTLIDEIYRSP CC ATOM YDLDGLEQGFHEAWKRVQQPDTPPLVWTPFTGGHWIATRGTLIDEIYRSP CC ************************************************** CC SEQRES ERFSSRVIWVPREAGEAYDMVPTKLDPPEHTPYRKAIDKGLNLAEIRKLE CC ATOM ERFSSRVIWVPREAGEAYDMVPTKLDPPEHTPYRKAIDKGLNLAEIRKLE CC ************************************************** CC SEQRES DQIRTIAVEIIEGFADRGHCEFGSEFSTVFPVRVFLALAGLPVEDATKLG CC ATOM DQIRTIAVEIIEGFADRGHCEFGSEFSTVFPVRVFLALAGLPVEDATKLG CC ************************************************** CC SEQRES LLANEMTRPSGNTPEEQGRSLEAANKGFFEYVAPIIAARRGGSGTDLITR CC ATOM LLANEMTRPSGNTPEEQGRSLEAANKGFFEYVAPIIAARRGGSGTDLITR CC ************************************************** CC SEQRES ILNVEIDGKPMPDDRALGLVSLLLLGGLETVVNFLGFMMIYLSRHPETVA CC ATOM ILNVEIDGKPMPDDRALGLVSLLLLGGLETVVNFLGFMMIYLSRHPETVA CC ************************************************** CC SEQRES EMRREPLKLQRGVEELFRRFAVVSDARYVVSDMEFHGTMLKEGDLILLPT CC ATOM EMRREPLKLQRGVEELFRRFAVVSDARYVVSDMEFHGTMLKEGDLILLPT CC ************************************************** CC SEQRES ALHGLDDRHHDDPMTVDLSRRDVTHSTFAQGPHRCAGMHLARLEVTVMLQ CC ATOM ALHGLDDRHHDDPMTVDLSRRDVTHSTFAQGPHRCAGMHLARLEVTVMLQ CC ************************************************** CC SEQRES EWLARIPEFRLKDRAVPIYHSGIVAAVENIPLEWEPQ CC ATOM EWLARIPEFRLKDRAVPIYHSGIVAAVENIPLEWEPQ CC ************************************* SQ SEQUENCE 437 AA; MW; CN; MGSSHHHHHH SSGLVPRGSH MNAQTSTATQ KHRVAPPPHV PGHLIREIDA YDLDGLEQGF HEAWKRVQQP DTPPLVWTPF TGGHWIATRG TLIDEIYRSP ERFSSRVIWV PREAGEAYDM VPTKLDPPEH TPYRKAIDKG LNLAEIRKLE DQIRTIAVEI IEGFADRGHC EFGSEFSTVF PVRVFLALAG LPVEDATKLG LLANEMTRPS GNTPEEQGRS LEAANKGFFE YVAPIIAARR GGSGTDLITR ILNVEIDGKP MPDDRALGLV SLLLLGGLET VVNFLGFMMI YLSRHPETVA EMRREPLKLQ RGVEELFRRF AVVSDARYVV SDMEFHGTML KEGDLILLPT ALHGLDDRHH DDPMTVDLSR RDVTHSTFAQ GPHRCAGMHL ARLEVTVMLQ EWLARIPEFR LKDRAVPIYH SGIVAAVENI PLEWEPQ // ID 6WGWB STANDARD; PRT; 437 AA. DT CONVERTED FROM PDB (SEQRES) 6WGW DE Cytochrome P450 101D1 OS Novosphingobium aromaticivorans CC EXPDTA X-RAY DIFFRACTION CC RESOLU 1.730 CC R-Factor 0.189 FT #SUB 70 50 PRO B 361 341 ASP A Protein B 1 FT #SUB 91 71 THR B 358 338 ARG A Protein S 5 FT #SUB 91 71 THR B 359 339 HIS A Protein S 4 FT #SUB 94 74 ASP B 91 71 THR A Protein S 1 FT #SUB 98 78 ARG B 95 75 GLU A Protein S 1 FT #SUB 98 78 ARG B 336 316 HIS A Protein S 14 FT #SUB 102 82 ARG B 98 78 ARG A Protein S 5 FT #SUB 334 314 GLU B 371 351 ARG A Protein S 3 FT #SUB 336 316 HIS B 359 339 HIS A Protein S 1 FT #SUB 336 316 HIS B 372 352 ASP A Protein A 16 FT #SUB 336 316 HIS B 374 354 THR A Protein B 1 FT #SUB 337 317 GLY B 371 351 ARG A Protein B 12 FT #SUB 358 338 ARG B 358 338 ARG A Protein B 1 FT #SUB 358 338 ARG B 361 341 ASP A Protein S 13 FT #SUB 359 339 HIS B 358 338 ARG A Protein S 2 FT #SUB 371 351 ARG B 71 51 ASP A Protein S 2 FT #SUB 372 352 ASP B 70 50 PRO A Protein S 1 FT #SUB 372 352 ASP B 71 51 ASP A Protein S 1 FT #SUB 372 352 ASP B 358 338 ARG A Protein S 1 FT #HET 97 77 TYR B 7 501 HEM B S 1 FT #HET 98 78 ARG B 3 503 SO4 A S 6 FT #HET 109 89 TRP B 8 502 CAH B S 3 FT #HET 109 89 TRP B 9 503 CAM B S 2 FT #HET 118 98 TYR B 8 502 CAH B S 4 FT #HET 118 98 TYR B 9 503 CAM B S 5 FT #HET 122 102 PRO B 7 501 HEM B A 5 FT #HET 123 103 THR B 7 501 HEM B A 4 FT #HET 123 103 THR B 8 502 CAH B S 1 FT #HET 123 103 THR B 9 503 CAM B S 1 FT #HET 130 110 HIS B 7 501 HEM B S 5 FT #HET 134 114 ARG B 7 501 HEM B S 6 FT #HET 141 121 LEU B 7 501 HEM B S 1 FT #HET 185 165 PHE B 7 501 HEM B S 1 FT #HET 207 187 THR B 8 502 CAH B S 1 FT #HET 207 187 THR B 9 503 CAM B S 1 FT #HET 272 252 LEU B 7 501 HEM B S 2 FT #HET 272 252 LEU B 8 502 CAH B S 2 FT #HET 272 252 LEU B 9 503 CAM B S 3 FT #HET 273 253 LEU B 7 501 HEM B B 1 FT #HET 275 255 LEU B 8 502 CAH B S 2 FT #HET 275 255 LEU B 9 503 CAM B S 3 FT #HET 276 256 GLY B 7 501 HEM B B 7 FT #HET 276 256 GLY B 8 502 CAH B B 3 FT #HET 276 256 GLY B 9 503 CAM B B 2 FT #HET 280 260 THR B 7 501 HEM B A 16 FT #HET 280 260 THR B 8 502 CAH B S 2 FT #HET 280 260 THR B 9 503 CAM B S 1 FT #HET 281 261 VAL B 7 501 HEM B A 2 FT #HET 284 264 PHE B 7 501 HEM B S 1 FT #HET 317 297 PHE B 7 501 HEM B S 1 FT #HET 322 302 VAL B 7 501 HEM B S 1 FT #HET 323 303 VAL B 7 501 HEM B S 3 FT #HET 323 303 VAL B 8 502 CAH B S 2 FT #HET 323 303 VAL B 9 503 CAM B S 2 FT #HET 325 305 ASP B 7 501 HEM B S 5 FT #HET 327 307 ARG B 7 501 HEM B S 8 FT #HET 377 357 THR B 7 501 HEM B A 4 FT #HET 378 358 PHE B 7 501 HEM B A 5 FT #HET 379 359 ALA B 7 501 HEM B A 3 FT #HET 382 362 PRO B 7 501 HEM B B 1 FT #HET 383 363 HIS B 7 501 HEM B A 15 FT #HET 384 364 ARG B 3 503 SO4 A S 1 FT #HET 385 365 CYS B 7 501 HEM B A 19 FT #HET 386 366 ALA B 7 501 HEM B A 7 FT #HET 387 367 GLY B 7 501 HEM B B 10 FT #HET 391 371 ALA B 7 501 HEM B S 1 FT #HET 424 404 VAL B 8 502 CAH B S 1 FT #HET 424 404 VAL B 9 503 CAM B S 1 FT DISORDER 1 30 CC SEQUENCE 407 AA (ATOM); CC KHRVAPPPHV PGHLIREIDA YDLDGLEQGF HEAWKRVQQP DTPPLVWTPF TGGHWIATRG CC TLIDEIYRSP ERFSSRVIWV PREAGEAYDM VPTKLDPPEH TPYRKAIDKG LNLAEIRKLE CC DQIRTIAVEI IEGFADRGHC EFGSEFSTVF PVRVFLALAG LPVEDATKLG LLANEMTRPS CC GNTPEEQGRS LEAANKGFFE YVAPIIAARR GGSGTDLITR ILNVEIDGKP MPDDRALGLV CC SLLLLGGLET VVNFLGFMMI YLSRHPETVA EMRREPLKLQ RGVEELFRRF AVVSDARYVV CC SDMEFHGTML KEGDLILLPT ALHGLDDRHH DDPMTVDLSR RDVTHSTFAQ GPHRCAGMHL CC ARLEVTVMLQ EWLARIPEFR LKDRAVPIYH SGIVAAVENI PLEWEPQ CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MGSSHHHHHHSSGLVPRGSHMNAQTSTATQKHRVAPPPHVPGHLIREIDA CC ATOM ------------------------------KHRVAPPPHVPGHLIREIDA CC ******************** CC SEQRES YDLDGLEQGFHEAWKRVQQPDTPPLVWTPFTGGHWIATRGTLIDEIYRSP CC ATOM YDLDGLEQGFHEAWKRVQQPDTPPLVWTPFTGGHWIATRGTLIDEIYRSP CC ************************************************** CC SEQRES ERFSSRVIWVPREAGEAYDMVPTKLDPPEHTPYRKAIDKGLNLAEIRKLE CC ATOM ERFSSRVIWVPREAGEAYDMVPTKLDPPEHTPYRKAIDKGLNLAEIRKLE CC ************************************************** CC SEQRES DQIRTIAVEIIEGFADRGHCEFGSEFSTVFPVRVFLALAGLPVEDATKLG CC ATOM DQIRTIAVEIIEGFADRGHCEFGSEFSTVFPVRVFLALAGLPVEDATKLG CC ************************************************** CC SEQRES LLANEMTRPSGNTPEEQGRSLEAANKGFFEYVAPIIAARRGGSGTDLITR CC ATOM LLANEMTRPSGNTPEEQGRSLEAANKGFFEYVAPIIAARRGGSGTDLITR CC ************************************************** CC SEQRES ILNVEIDGKPMPDDRALGLVSLLLLGGLETVVNFLGFMMIYLSRHPETVA CC ATOM ILNVEIDGKPMPDDRALGLVSLLLLGGLETVVNFLGFMMIYLSRHPETVA CC ************************************************** CC SEQRES EMRREPLKLQRGVEELFRRFAVVSDARYVVSDMEFHGTMLKEGDLILLPT CC ATOM EMRREPLKLQRGVEELFRRFAVVSDARYVVSDMEFHGTMLKEGDLILLPT CC ************************************************** CC SEQRES ALHGLDDRHHDDPMTVDLSRRDVTHSTFAQGPHRCAGMHLARLEVTVMLQ CC ATOM ALHGLDDRHHDDPMTVDLSRRDVTHSTFAQGPHRCAGMHLARLEVTVMLQ CC ************************************************** CC SEQRES EWLARIPEFRLKDRAVPIYHSGIVAAVENIPLEWEPQ CC ATOM EWLARIPEFRLKDRAVPIYHSGIVAAVENIPLEWEPQ CC ************************************* SQ SEQUENCE 437 AA; MW; CN; MGSSHHHHHH SSGLVPRGSH MNAQTSTATQ KHRVAPPPHV PGHLIREIDA YDLDGLEQGF HEAWKRVQQP DTPPLVWTPF TGGHWIATRG TLIDEIYRSP ERFSSRVIWV PREAGEAYDM VPTKLDPPEH TPYRKAIDKG LNLAEIRKLE DQIRTIAVEI IEGFADRGHC EFGSEFSTVF PVRVFLALAG LPVEDATKLG LLANEMTRPS GNTPEEQGRS LEAANKGFFE YVAPIIAARR GGSGTDLITR ILNVEIDGKP MPDDRALGLV SLLLLGGLET VVNFLGFMMI YLSRHPETVA EMRREPLKLQ RGVEELFRRF AVVSDARYVV SDMEFHGTML KEGDLILLPT ALHGLDDRHH DDPMTVDLSR RDVTHSTFAQ GPHRCAGMHL ARLEVTVMLQ EWLARIPEFR LKDRAVPIYH SGIVAAVENI PLEWEPQ //