ID 3NXUA STANDARD; PRT; 485 AA. DT CONVERTED FROM PDB (SEQRES) 3NXU DE Cytochrome P450 3A4 OS Homo sapiens CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.000 CC R-Factor 0.235 FT #SUB 77 99 TYR A 330 352 GLN B Protein S 2 FT #SUB 105 127 LYS A 326 348 ASP B Protein S 3 FT #SUB 118 140 GLY A 69 91 LYS B Protein B 1 FT #SUB 121 143 LYS A 406 428 ASP B Protein S 2 FT #SUB 121 143 LYS A 407 429 PRO B Protein S 1 FT #SUB 122 144 GLU A 69 91 LYS B Protein S 4 FT #SUB 423 445 MET A 399 421 LYS B Protein S 1 FT #SUB 424 446 ARG A 403 425 ASP B Protein S 12 FT #HET 28 50 ILE A 3 702 DMS A B 1 FT #HET 29 51 LEU A 3 702 DMS A S 1 FT #HET 31 53 TYR A 3 702 DMS A A 3 FT #HET 32 54 HIS A 3 702 DMS A B 2 FT #HET 34 56 GLY A 1 700 DMS A B 4 FT #HET 35 57 PHE A 1 700 DMS A A 5 FT #HET 35 57 PHE A 6 600 RIT A S 2 FT #HET 36 58 CYS A 1 700 DMS A A 5 FT #HET 56 78 GLN A 2 701 DMS A S 1 FT #HET 83 105 ARG A 5 508 HEM A S 12 FT #HET 83 105 ARG A 6 600 RIT A S 1 FT #HET 86 108 PHE A 6 600 RIT A S 9 FT #HET 96 118 ILE A 5 508 HEM A A 4 FT #HET 97 119 SER A 5 508 HEM A A 2 FT #HET 97 119 SER A 6 600 RIT A A 10 FT #HET 98 120 ILE A 6 600 RIT A S 1 FT #HET 104 126 TRP A 5 508 HEM A S 5 FT #HET 108 130 ARG A 5 508 HEM A S 5 FT #HET 115 137 PHE A 5 508 HEM A S 2 FT #HET 162 184 ILE A 5 508 HEM A S 1 FT #HET 188 210 LEU A 6 600 RIT A S 3 FT #HET 189 211 LEU A 6 600 RIT A S 3 FT #HET 191 213 PHE A 6 600 RIT A S 3 FT #HET 193 215 PHE A 3 702 DMS A A 4 FT #HET 193 215 PHE A 6 600 RIT A S 1 FT #HET 194 216 LEU A 3 702 DMS A S 1 FT #HET 197 219 PHE A 4 703 DMS A S 2 FT #HET 202 224 THR A 6 600 RIT A S 1 FT #HET 204 226 PHE A 2 701 DMS A A 4 FT #HET 205 227 PRO A 2 701 DMS A A 5 FT #HET 206 228 PHE A 2 701 DMS A A 9 FT #HET 216 238 ILE A 4 703 DMS A S 1 FT #HET 217 239 CYS A 4 703 DMS A B 3 FT #HET 218 240 VAL A 4 703 DMS A B 3 FT #HET 219 241 PHE A 4 703 DMS A B 1 FT #HET 219 241 PHE A 6 600 RIT A S 4 FT #HET 220 242 PRO A 4 703 DMS A B 1 FT #HET 279 301 ILE A 6 600 RIT A S 3 FT #HET 280 302 PHE A 5 508 HEM A S 3 FT #HET 282 304 PHE A 6 600 RIT A S 14 FT #HET 283 305 ALA A 5 508 HEM A A 8 FT #HET 283 305 ALA A 6 600 RIT A S 3 FT #HET 284 306 GLY A 5 508 HEM A B 2 FT #HET 287 309 THR A 5 508 HEM A S 4 FT #HET 287 309 THR A 6 600 RIT A S 2 FT #HET 291 313 VAL A 5 508 HEM A S 1 FT #HET 347 369 ILE A 5 508 HEM A S 8 FT #HET 347 369 ILE A 6 600 RIT A A 4 FT #HET 348 370 ALA A 5 508 HEM A S 1 FT #HET 348 370 ALA A 6 600 RIT A A 2 FT #HET 349 371 MET A 1 700 DMS A S 1 FT #HET 350 372 ARG A 6 600 RIT A A 5 FT #HET 351 373 LEU A 5 508 HEM A S 2 FT #HET 352 374 GLU A 6 600 RIT A S 4 FT #HET 353 375 ARG A 5 508 HEM A S 9 FT #HET 412 434 PRO A 5 508 HEM A B 3 FT #HET 413 435 PHE A 5 508 HEM A A 10 FT #HET 414 436 GLY A 5 508 HEM A B 2 FT #HET 415 437 SER A 5 508 HEM A B 1 FT #HET 418 440 ARG A 5 508 HEM A A 10 FT #HET 419 441 ASN A 5 508 HEM A B 2 FT #HET 420 442 CYS A 5 508 HEM A A 22 FT #HET 421 443 ILE A 5 508 HEM A A 5 FT #HET 422 444 GLY A 5 508 HEM A B 5 FT #HET 426 448 ALA A 5 508 HEM A S 2 FT #HET 430 452 MET A 5 508 HEM A S 2 FT #HET 455 477 LEU A 1 700 DMS A S 1 FT #HET 456 478 SER A 1 700 DMS A B 3 FT #HET 457 479 LEU A 1 700 DMS A B 3 FT #HET 458 480 GLY A 1 700 DMS A B 1 FT #HET 459 481 GLY A 6 600 RIT A B 3 FT DISORDER 1 6 FT DISORDER 243 245 FT DISORDER 259 266 FT DISORDER 475 485 CC SEQUENCE 457 AA (ATOM); CC SHGLFKKLGI PGPTPLPFLG NILSYHKGFC MFDMECHKKY GKVWGFYDGQ QPVLAITDPD CC MIKTVLVKEC YSVFTNRRPF GPVGFMKSAI SIAEDEEWKR LRSLLSPTFT SGKLKEMVPI CC IAQYGDVLVR NLRREAETGK PVTLKDVFGA YSMDVITSTS FGVNIDSLNN PQDPFVENTK CC KLLRFDFLDP FFLSITVFPF LIPILEVLNI CVFPREVTNF LRKSVKRMKE SRLEDTRVDF CC LQLMIDSQNA LSDLELVAQS IIFIFAGYET TSSVLSFIMY ELATHPDVQQ KLQEEIDAVL CC PNKAPPTYDT VLQMEYLDMV VNETLRLFPI AMRLERVCKK DVEINGMFIP KGVVVMIPSY CC ALHRDPKYWT EPEKFLPERF SKKNKDNIDP YIYTPFGSGP RNCIGMRFAL MNMKLALIRV CC LQNFSFKPCK ETQIPLKLSL GGLLQPEKPV VLKVESR CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MAYGTHSHGLFKKLGIPGPTPLPFLGNILSYHKGFCMFDMECHKKYGKVW CC ATOM ------SHGLFKKLGIPGPTPLPFLGNILSYHKGFCMFDMECHKKYGKVW CC ******************************************** CC SEQRES GFYDGQQPVLAITDPDMIKTVLVKECYSVFTNRRPFGPVGFMKSAISIAE CC ATOM GFYDGQQPVLAITDPDMIKTVLVKECYSVFTNRRPFGPVGFMKSAISIAE CC ************************************************** CC SEQRES DEEWKRLRSLLSPTFTSGKLKEMVPIIAQYGDVLVRNLRREAETGKPVTL CC ATOM DEEWKRLRSLLSPTFTSGKLKEMVPIIAQYGDVLVRNLRREAETGKPVTL CC ************************************************** CC SEQRES KDVFGAYSMDVITSTSFGVNIDSLNNPQDPFVENTKKLLRFDFLDPFFLS CC ATOM KDVFGAYSMDVITSTSFGVNIDSLNNPQDPFVENTKKLLRFDFLDPFFLS CC ************************************************** CC SEQRES ITVFPFLIPILEVLNICVFPREVTNFLRKSVKRMKESRLEDTQKHRVDFL CC ATOM ITVFPFLIPILEVLNICVFPREVTNFLRKSVKRMKESRLEDT---RVDFL CC ****************************************** ***** CC SEQRES QLMIDSQNSKETESHKALSDLELVAQSIIFIFAGYETTSSVLSFIMYELA CC ATOM QLMIDSQN--------ALSDLELVAQSIIFIFAGYETTSSVLSFIMYELA CC ******** ********************************** CC SEQRES THPDVQQKLQEEIDAVLPNKAPPTYDTVLQMEYLDMVVNETLRLFPIAMR CC ATOM THPDVQQKLQEEIDAVLPNKAPPTYDTVLQMEYLDMVVNETLRLFPIAMR CC ************************************************** CC SEQRES LERVCKKDVEINGMFIPKGVVVMIPSYALHRDPKYWTEPEKFLPERFSKK CC ATOM LERVCKKDVEINGMFIPKGVVVMIPSYALHRDPKYWTEPEKFLPERFSKK CC ************************************************** CC SEQRES NKDNIDPYIYTPFGSGPRNCIGMRFALMNMKLALIRVLQNFSFKPCKETQ CC ATOM NKDNIDPYIYTPFGSGPRNCIGMRFALMNMKLALIRVLQNFSFKPCKETQ CC ************************************************** CC SEQRES IPLKLSLGGLLQPEKPVVLKVESRDGTVSGAHHHH CC ATOM IPLKLSLGGLLQPEKPVVLKVESR----------- CC ************************ SQ SEQUENCE 485 AA; MW; CN; MAYGTHSHGL FKKLGIPGPT PLPFLGNILS YHKGFCMFDM ECHKKYGKVW GFYDGQQPVL AITDPDMIKT VLVKECYSVF TNRRPFGPVG FMKSAISIAE DEEWKRLRSL LSPTFTSGKL KEMVPIIAQY GDVLVRNLRR EAETGKPVTL KDVFGAYSMD VITSTSFGVN IDSLNNPQDP FVENTKKLLR FDFLDPFFLS ITVFPFLIPI LEVLNICVFP REVTNFLRKS VKRMKESRLE DTQKHRVDFL QLMIDSQNSK ETESHKALSD LELVAQSIIF IFAGYETTSS VLSFIMYELA THPDVQQKLQ EEIDAVLPNK APPTYDTVLQ MEYLDMVVNE TLRLFPIAMR LERVCKKDVE INGMFIPKGV VVMIPSYALH RDPKYWTEPE KFLPERFSKK NKDNIDPYIY TPFGSGPRNC IGMRFALMNM KLALIRVLQN FSFKPCKETQ IPLKLSLGGL LQPEKPVVLK VESRDGTVSG AHHHH // ID 3NXUB STANDARD; PRT; 485 AA. DT CONVERTED FROM PDB (SEQRES) 3NXU DE Cytochrome P450 3A4 OS Homo sapiens CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.000 CC R-Factor 0.235 FT #SUB 69 91 LYS B 118 140 GLY A Protein S 1 FT #SUB 69 91 LYS B 122 144 GLU A Protein S 4 FT #SUB 326 348 ASP B 105 127 LYS A Protein S 3 FT #SUB 330 352 GLN B 77 99 TYR A Protein S 2 FT #SUB 399 421 LYS B 423 445 MET A Protein S 1 FT #SUB 403 425 ASP B 424 446 ARG A Protein A 12 FT #SUB 406 428 ASP B 121 143 LYS A Protein S 2 FT #SUB 407 429 PRO B 121 143 LYS A Protein S 1 FT #HET 31 53 TYR B 10 600 RIT B S 1 FT #HET 34 56 GLY B 7 704 DMS B B 2 FT #HET 35 57 PHE B 7 704 DMS B B 1 FT #HET 36 58 CYS B 7 704 DMS B A 6 FT #HET 83 105 ARG B 9 508 HEM B S 13 FT #HET 83 105 ARG B 10 600 RIT B S 3 FT #HET 86 108 PHE B 10 600 RIT B S 8 FT #HET 92 114 MET B 10 600 RIT B S 1 FT #HET 96 118 ILE B 9 508 HEM B A 2 FT #HET 97 119 SER B 9 508 HEM B A 3 FT #HET 97 119 SER B 10 600 RIT B A 7 FT #HET 98 120 ILE B 10 600 RIT B S 1 FT #HET 104 126 TRP B 9 508 HEM B S 6 FT #HET 108 130 ARG B 9 508 HEM B S 3 FT #HET 162 184 ILE B 9 508 HEM B S 1 FT #HET 188 210 LEU B 10 600 RIT B S 4 FT #HET 189 211 LEU B 10 600 RIT B S 2 FT #HET 191 213 PHE B 10 600 RIT B S 3 FT #HET 193 215 PHE B 10 600 RIT B S 1 FT #HET 197 219 PHE B 8 705 DMS B S 3 FT #HET 202 224 THR B 10 600 RIT B S 1 FT #HET 217 239 CYS B 8 705 DMS B B 3 FT #HET 218 240 VAL B 8 705 DMS B B 1 FT #HET 219 241 PHE B 10 600 RIT B S 5 FT #HET 220 242 PRO B 8 705 DMS B B 2 FT #HET 279 301 ILE B 10 600 RIT B S 2 FT #HET 280 302 PHE B 9 508 HEM B S 3 FT #HET 282 304 PHE B 10 600 RIT B S 14 FT #HET 283 305 ALA B 9 508 HEM B A 9 FT #HET 283 305 ALA B 10 600 RIT B S 3 FT #HET 284 306 GLY B 9 508 HEM B B 2 FT #HET 287 309 THR B 9 508 HEM B S 1 FT #HET 287 309 THR B 10 600 RIT B S 1 FT #HET 291 313 VAL B 9 508 HEM B S 1 FT #HET 347 369 ILE B 9 508 HEM B S 6 FT #HET 347 369 ILE B 10 600 RIT B S 2 FT #HET 348 370 ALA B 9 508 HEM B S 1 FT #HET 348 370 ALA B 10 600 RIT B A 4 FT #HET 349 371 MET B 7 704 DMS B S 3 FT #HET 350 372 ARG B 10 600 RIT B A 5 FT #HET 351 373 LEU B 10 600 RIT B S 2 FT #HET 352 374 GLU B 10 600 RIT B S 4 FT #HET 353 375 ARG B 9 508 HEM B S 9 FT #HET 412 434 PRO B 9 508 HEM B B 3 FT #HET 413 435 PHE B 9 508 HEM B A 9 FT #HET 414 436 GLY B 9 508 HEM B B 1 FT #HET 415 437 SER B 9 508 HEM B B 1 FT #HET 418 440 ARG B 9 508 HEM B A 11 FT #HET 419 441 ASN B 9 508 HEM B B 1 FT #HET 420 442 CYS B 9 508 HEM B A 22 FT #HET 421 443 ILE B 9 508 HEM B A 5 FT #HET 422 444 GLY B 9 508 HEM B B 4 FT #HET 426 448 ALA B 9 508 HEM B S 2 FT #HET 430 452 MET B 9 508 HEM B S 2 FT #HET 455 477 LEU B 7 704 DMS B S 2 FT #HET 456 478 SER B 7 704 DMS B B 2 FT #HET 457 479 LEU B 7 704 DMS B B 2 FT #HET 458 480 GLY B 7 704 DMS B B 1 FT #HET 459 481 GLY B 10 600 RIT B B 3 FT DISORDER 1 6 FT DISORDER 243 245 FT DISORDER 259 266 FT DISORDER 475 485 CC SEQUENCE 457 AA (ATOM); CC SHGLFKKLGI PGPTPLPFLG NILSYHKGFC MFDMECHKKY GKVWGFYDGQ QPVLAITDPD CC MIKTVLVKEC YSVFTNRRPF GPVGFMKSAI SIAEDEEWKR LRSLLSPTFT SGKLKEMVPI CC IAQYGDVLVR NLRREAETGK PVTLKDVFGA YSMDVITSTS FGVNIDSLNN PQDPFVENTK CC KLLRFDFLDP FFLSITVFPF LIPILEVLNI CVFPREVTNF LRKSVKRMKE SRLEDTRVDF CC LQLMIDSQNA LSDLELVAQS IIFIFAGYET TSSVLSFIMY ELATHPDVQQ KLQEEIDAVL CC PNKAPPTYDT VLQMEYLDMV VNETLRLFPI AMRLERVCKK DVEINGMFIP KGVVVMIPSY CC ALHRDPKYWT EPEKFLPERF SKKNKDNIDP YIYTPFGSGP RNCIGMRFAL MNMKLALIRV CC LQNFSFKPCK ETQIPLKLSL GGLLQPEKPV VLKVESR CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MAYGTHSHGLFKKLGIPGPTPLPFLGNILSYHKGFCMFDMECHKKYGKVW CC ATOM ------SHGLFKKLGIPGPTPLPFLGNILSYHKGFCMFDMECHKKYGKVW CC ******************************************** CC SEQRES GFYDGQQPVLAITDPDMIKTVLVKECYSVFTNRRPFGPVGFMKSAISIAE CC ATOM GFYDGQQPVLAITDPDMIKTVLVKECYSVFTNRRPFGPVGFMKSAISIAE CC ************************************************** CC SEQRES DEEWKRLRSLLSPTFTSGKLKEMVPIIAQYGDVLVRNLRREAETGKPVTL CC ATOM DEEWKRLRSLLSPTFTSGKLKEMVPIIAQYGDVLVRNLRREAETGKPVTL CC ************************************************** CC SEQRES KDVFGAYSMDVITSTSFGVNIDSLNNPQDPFVENTKKLLRFDFLDPFFLS CC ATOM KDVFGAYSMDVITSTSFGVNIDSLNNPQDPFVENTKKLLRFDFLDPFFLS CC ************************************************** CC SEQRES ITVFPFLIPILEVLNICVFPREVTNFLRKSVKRMKESRLEDTQKHRVDFL CC ATOM ITVFPFLIPILEVLNICVFPREVTNFLRKSVKRMKESRLEDT---RVDFL CC ****************************************** ***** CC SEQRES QLMIDSQNSKETESHKALSDLELVAQSIIFIFAGYETTSSVLSFIMYELA CC ATOM QLMIDSQN--------ALSDLELVAQSIIFIFAGYETTSSVLSFIMYELA CC ******** ********************************** CC SEQRES THPDVQQKLQEEIDAVLPNKAPPTYDTVLQMEYLDMVVNETLRLFPIAMR CC ATOM THPDVQQKLQEEIDAVLPNKAPPTYDTVLQMEYLDMVVNETLRLFPIAMR CC ************************************************** CC SEQRES LERVCKKDVEINGMFIPKGVVVMIPSYALHRDPKYWTEPEKFLPERFSKK CC ATOM LERVCKKDVEINGMFIPKGVVVMIPSYALHRDPKYWTEPEKFLPERFSKK CC ************************************************** CC SEQRES NKDNIDPYIYTPFGSGPRNCIGMRFALMNMKLALIRVLQNFSFKPCKETQ CC ATOM NKDNIDPYIYTPFGSGPRNCIGMRFALMNMKLALIRVLQNFSFKPCKETQ CC ************************************************** CC SEQRES IPLKLSLGGLLQPEKPVVLKVESRDGTVSGAHHHH CC ATOM IPLKLSLGGLLQPEKPVVLKVESR----------- CC ************************ SQ SEQUENCE 485 AA; MW; CN; MAYGTHSHGL FKKLGIPGPT PLPFLGNILS YHKGFCMFDM ECHKKYGKVW GFYDGQQPVL AITDPDMIKT VLVKECYSVF TNRRPFGPVG FMKSAISIAE DEEWKRLRSL LSPTFTSGKL KEMVPIIAQY GDVLVRNLRR EAETGKPVTL KDVFGAYSMD VITSTSFGVN IDSLNNPQDP FVENTKKLLR FDFLDPFFLS ITVFPFLIPI LEVLNICVFP REVTNFLRKS VKRMKESRLE DTQKHRVDFL QLMIDSQNSK ETESHKALSD LELVAQSIIF IFAGYETTSS VLSFIMYELA THPDVQQKLQ EEIDAVLPNK APPTYDTVLQ MEYLDMVVNE TLRLFPIAMR LERVCKKDVE INGMFIPKGV VVMIPSYALH RDPKYWTEPE KFLPERFSKK NKDNIDPYIY TPFGSGPRNC IGMRFALMNM KLALIRVLQN FSFKPCKETQ IPLKLSLGGL LQPEKPVVLK VESRDGTVSG AHHHH //