ID 1T2BA STANDARD; PRT; 397 AA. DT CONVERTED FROM PDB (SEQRES) 1T2B DE P450cin OS Citrobacter braakii CC EXPDTA X-RAY DIFFRACTION CC RESOLU 1.700 CC R-Factor 0.229 FT #SUB 16 23 PRO A 255 262 ARG B Protein S 1 FT #SUB 17 24 ASP A 255 262 ARG B Protein S 5 FT #SUB 21 28 HIS A 255 262 ARG B Protein S 1 FT #SUB 22 29 ALA A 255 262 ARG B Protein A 4 FT #SUB 25 32 GLU A 255 262 ARG B Protein S 8 FT #SUB 25 32 GLU A 256 263 ARG B Protein S 10 FT #SUB 246 253 ARG A 252 259 GLU B Protein S 5 FT #SUB 249 256 TRP A 249 256 TRP B Protein A 3 FT #SUB 249 256 TRP A 250 257 ASP B Protein S 3 FT #SUB 249 256 TRP A 251 258 ILE B Protein S 7 FT #SUB 249 256 TRP A 252 259 GLU B Protein S 1 FT #SUB 250 257 ASP A 249 256 TRP B Protein A 3 FT #SUB 251 258 ILE A 17 24 ASP B Protein S 1 FT #SUB 251 258 ILE A 249 256 TRP B Protein A 10 FT #SUB 252 259 GLU A 246 253 ARG B Protein S 9 FT #SUB 252 259 GLU A 249 256 TRP B Protein A 2 FT #SUB 252 259 GLU A 274 281 PHE B Protein S 2 FT #SUB 255 262 ARG A 16 23 PRO B Protein S 1 FT #SUB 255 262 ARG A 17 24 ASP B Protein S 6 FT #SUB 255 262 ARG A 21 28 HIS B Protein S 1 FT #SUB 255 262 ARG A 22 29 ALA B Protein S 4 FT #SUB 255 262 ARG A 25 32 GLU B Protein S 8 FT #SUB 256 263 ARG A 25 32 GLU B Protein S 10 FT #SUB 256 263 ARG A 274 281 PHE B Protein S 1 FT #SUB 256 263 ARG A 319 326 ASP B Protein S 8 FT #SUB 274 281 PHE A 252 259 GLU B Protein S 2 FT #SUB 317 324 SER A 322 329 VAL B Protein S 2 FT #SUB 319 326 ASP A 256 263 ARG B Protein A 8 FT #SUB 320 327 ASN A 320 327 ASN B Protein S 1 FT #SUB 320 327 ASN A 321 328 ILE B Protein S 3 FT #SUB 320 327 ASN A 322 329 VAL B Protein S 3 FT #SUB 321 328 ILE A 320 327 ASN B Protein B 3 FT #SUB 322 329 VAL A 317 324 SER B Protein S 2 FT #SUB 322 329 VAL A 320 327 ASN B Protein A 4 FT #HET 58 65 ILE A 1 450 HEM A S 1 FT #HET 66 73 ASN A 1 450 HEM A S 2 FT #HET 69 76 VAL A 1 450 HEM A S 1 FT #HET 69 76 VAL A 2 500 CNL A S 1 FT #HET 70 77 THR A 2 500 CNL A S 1 FT #HET 74 81 TYR A 2 500 CNL A S 3 FT #HET 83 90 MET A 1 450 HEM A A 5 FT #HET 84 91 ALA A 1 450 HEM A A 5 FT #HET 84 91 ALA A 2 500 CNL A S 2 FT #HET 91 98 HIS A 1 450 HEM A S 7 FT #HET 95 102 ARG A 1 450 HEM A S 5 FT #HET 102 109 PHE A 1 450 HEM A S 4 FT #HET 227 234 ILE A 1 450 HEM A S 3 FT #HET 227 234 ILE A 2 500 CNL A B 1 FT #HET 228 235 LEU A 1 450 HEM A A 2 FT #HET 230 237 LEU A 2 500 CNL A S 1 FT #HET 231 238 GLY A 1 450 HEM A B 12 FT #HET 231 238 GLY A 2 500 CNL A B 2 FT #HET 232 239 GLY A 1 450 HEM A B 1 FT #HET 235 242 ASN A 1 450 HEM A A 11 FT #HET 235 242 ASN A 2 500 CNL A S 9 FT #HET 236 243 THR A 1 450 HEM A A 6 FT #HET 239 246 PHE A 1 450 HEM A S 2 FT #HET 277 284 PRO A 1 450 HEM A S 1 FT #HET 278 285 ALA A 2 500 CNL A S 1 FT #HET 279 286 MET A 2 500 CNL A B 1 FT #HET 280 287 VAL A 1 450 HEM A S 5 FT #HET 280 287 VAL A 2 500 CNL A S 1 FT #HET 282 289 ARG A 1 450 HEM A S 8 FT #HET 305 312 PHE A 1 450 HEM A S 1 FT #HET 332 339 SER A 1 450 HEM A B 3 FT #HET 333 340 LEU A 1 450 HEM A A 8 FT #HET 334 341 GLY A 1 450 HEM A B 1 FT #HET 337 344 ILE A 1 450 HEM A B 1 FT #HET 338 345 HIS A 1 450 HEM A A 20 FT #HET 340 347 CYS A 1 450 HEM A A 22 FT #HET 341 348 LEU A 1 450 HEM A A 7 FT #HET 342 349 GLY A 1 450 HEM A B 1 FT #HET 346 353 ILE A 1 450 HEM A S 3 FT #HET 379 386 VAL A 2 500 CNL A S 1 CC SEQUENCE 397 AA (ATOM); CC TSLFTTADHY HTPLGPDGTP HAFFEALRDE AETTPIGWSE AYGGHWVVAG YKEIQAVIQN CC TKAFSNKGVT FPRYETGEFE LMMAGQDDPV HKKYRQLVAK PFSPEATDLF TEQLRQSTND CC LIDARIELGE GDAATWLANE IPARLTAILL GLPPEDGDTY RRWVWAITHV ENPEEGAEIF CC AELVAHARTL IAERRTNPGN DIMSRVIMSK IDGESLSEDD LIGFFTILLL GGIDNTARFL CC SSVFWRLAWD IELRRRLIAH PELIPNAVDE LLRFYGPAMV GRLVTQEVTV GDITMKPGQT CC AMLWFPIASR DRSAFDSPDN IVIERTPNRH LSLGHGIHRC LGAHLIRVEA RVAITEFLKR CC IPEFSLDPNK ECEWLMGQVA GMLHVPIIFP KGKRLSE CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES TSLFTTADHYHTPLGPDGTPHAFFEALRDEAETTPIGWSEAYGGHWVVAG CC ATOM TSLFTTADHYHTPLGPDGTPHAFFEALRDEAETTPIGWSEAYGGHWVVAG CC ************************************************** CC SEQRES YKEIQAVIQNTKAFSNKGVTFPRYETGEFELMMAGQDDPVHKKYRQLVAK CC ATOM YKEIQAVIQNTKAFSNKGVTFPRYETGEFELMMAGQDDPVHKKYRQLVAK CC ************************************************** CC SEQRES PFSPEATDLFTEQLRQSTNDLIDARIELGEGDAATWLANEIPARLTAILL CC ATOM PFSPEATDLFTEQLRQSTNDLIDARIELGEGDAATWLANEIPARLTAILL CC ************************************************** CC SEQRES GLPPEDGDTYRRWVWAITHVENPEEGAEIFAELVAHARTLIAERRTNPGN CC ATOM GLPPEDGDTYRRWVWAITHVENPEEGAEIFAELVAHARTLIAERRTNPGN CC ************************************************** CC SEQRES DIMSRVIMSKIDGESLSEDDLIGFFTILLLGGIDNTARFLSSVFWRLAWD CC ATOM DIMSRVIMSKIDGESLSEDDLIGFFTILLLGGIDNTARFLSSVFWRLAWD CC ************************************************** CC SEQRES IELRRRLIAHPELIPNAVDELLRFYGPAMVGRLVTQEVTVGDITMKPGQT CC ATOM IELRRRLIAHPELIPNAVDELLRFYGPAMVGRLVTQEVTVGDITMKPGQT CC ************************************************** CC SEQRES AMLWFPIASRDRSAFDSPDNIVIERTPNRHLSLGHGIHRCLGAHLIRVEA CC ATOM AMLWFPIASRDRSAFDSPDNIVIERTPNRHLSLGHGIHRCLGAHLIRVEA CC ************************************************** CC SEQRES RVAITEFLKRIPEFSLDPNKECEWLMGQVAGMLHVPIIFPKGKRLSE CC ATOM RVAITEFLKRIPEFSLDPNKECEWLMGQVAGMLHVPIIFPKGKRLSE CC *********************************************** SQ SEQUENCE 397 AA; MW; CN; TSLFTTADHY HTPLGPDGTP HAFFEALRDE AETTPIGWSE AYGGHWVVAG YKEIQAVIQN TKAFSNKGVT FPRYETGEFE LMMAGQDDPV HKKYRQLVAK PFSPEATDLF TEQLRQSTND LIDARIELGE GDAATWLANE IPARLTAILL GLPPEDGDTY RRWVWAITHV ENPEEGAEIF AELVAHARTL IAERRTNPGN DIMSRVIMSK IDGESLSEDD LIGFFTILLL GGIDNTARFL SSVFWRLAWD IELRRRLIAH PELIPNAVDE LLRFYGPAMV GRLVTQEVTV GDITMKPGQT AMLWFPIASR DRSAFDSPDN IVIERTPNRH LSLGHGIHRC LGAHLIRVEA RVAITEFLKR IPEFSLDPNK ECEWLMGQVA GMLHVPIIFP KGKRLSE // ID 1T2BB STANDARD; PRT; 397 AA. DT CONVERTED FROM PDB (SEQRES) 1T2B DE P450cin OS Citrobacter braakii CC EXPDTA X-RAY DIFFRACTION CC RESOLU 1.700 CC R-Factor 0.229 FT #SUB 16 23 PRO B 255 262 ARG A Protein S 1 FT #SUB 17 24 ASP B 251 258 ILE A Protein S 1 FT #SUB 17 24 ASP B 255 262 ARG A Protein S 6 FT #SUB 21 28 HIS B 255 262 ARG A Protein S 1 FT #SUB 22 29 ALA B 255 262 ARG A Protein A 4 FT #SUB 25 32 GLU B 255 262 ARG A Protein S 8 FT #SUB 25 32 GLU B 256 263 ARG A Protein S 10 FT #SUB 246 253 ARG B 252 259 GLU A Protein S 9 FT #SUB 249 256 TRP B 249 256 TRP A Protein A 3 FT #SUB 249 256 TRP B 250 257 ASP A Protein S 3 FT #SUB 249 256 TRP B 251 258 ILE A Protein S 10 FT #SUB 249 256 TRP B 252 259 GLU A Protein S 2 FT #SUB 250 257 ASP B 249 256 TRP A Protein A 3 FT #SUB 251 258 ILE B 249 256 TRP A Protein A 7 FT #SUB 252 259 GLU B 246 253 ARG A Protein S 5 FT #SUB 252 259 GLU B 249 256 TRP A Protein S 1 FT #SUB 252 259 GLU B 274 281 PHE A Protein S 2 FT #SUB 255 262 ARG B 16 23 PRO A Protein S 1 FT #SUB 255 262 ARG B 17 24 ASP A Protein S 5 FT #SUB 255 262 ARG B 21 28 HIS A Protein S 1 FT #SUB 255 262 ARG B 22 29 ALA A Protein S 4 FT #SUB 255 262 ARG B 25 32 GLU A Protein S 8 FT #SUB 256 263 ARG B 25 32 GLU A Protein S 10 FT #SUB 256 263 ARG B 319 326 ASP A Protein S 8 FT #SUB 274 281 PHE B 252 259 GLU A Protein S 2 FT #SUB 274 281 PHE B 256 263 ARG A Protein S 1 FT #SUB 317 324 SER B 322 329 VAL A Protein S 2 FT #SUB 319 326 ASP B 256 263 ARG A Protein A 8 FT #SUB 320 327 ASN B 320 327 ASN A Protein S 1 FT #SUB 320 327 ASN B 321 328 ILE A Protein S 3 FT #SUB 320 327 ASN B 322 329 VAL A Protein S 4 FT #SUB 321 328 ILE B 320 327 ASN A Protein B 3 FT #SUB 322 329 VAL B 317 324 SER A Protein S 2 FT #SUB 322 329 VAL B 320 327 ASN A Protein A 3 FT #HET 66 73 ASN B 3 450 HEM B S 2 FT #HET 69 76 VAL B 3 450 HEM B S 1 FT #HET 69 76 VAL B 4 500 CNL B S 1 FT #HET 70 77 THR B 4 500 CNL B S 1 FT #HET 74 81 TYR B 4 500 CNL B S 3 FT #HET 83 90 MET B 3 450 HEM B A 6 FT #HET 84 91 ALA B 3 450 HEM B A 5 FT #HET 84 91 ALA B 4 500 CNL B S 2 FT #HET 91 98 HIS B 3 450 HEM B S 7 FT #HET 95 102 ARG B 3 450 HEM B S 6 FT #HET 102 109 PHE B 3 450 HEM B S 3 FT #HET 227 234 ILE B 3 450 HEM B S 3 FT #HET 227 234 ILE B 4 500 CNL B B 1 FT #HET 228 235 LEU B 3 450 HEM B S 1 FT #HET 231 238 GLY B 3 450 HEM B B 9 FT #HET 231 238 GLY B 4 500 CNL B B 2 FT #HET 232 239 GLY B 3 450 HEM B B 1 FT #HET 235 242 ASN B 3 450 HEM B A 12 FT #HET 235 242 ASN B 4 500 CNL B S 8 FT #HET 236 243 THR B 3 450 HEM B A 5 FT #HET 239 246 PHE B 3 450 HEM B S 1 FT #HET 277 284 PRO B 3 450 HEM B S 1 FT #HET 278 285 ALA B 3 450 HEM B S 2 FT #HET 278 285 ALA B 4 500 CNL B S 1 FT #HET 280 287 VAL B 3 450 HEM B S 3 FT #HET 280 287 VAL B 4 500 CNL B S 1 FT #HET 282 289 ARG B 3 450 HEM B S 8 FT #HET 305 312 PHE B 3 450 HEM B S 1 FT #HET 332 339 SER B 3 450 HEM B B 3 FT #HET 333 340 LEU B 3 450 HEM B A 7 FT #HET 334 341 GLY B 3 450 HEM B B 1 FT #HET 337 344 ILE B 3 450 HEM B B 1 FT #HET 338 345 HIS B 3 450 HEM B A 20 FT #HET 340 347 CYS B 3 450 HEM B A 22 FT #HET 341 348 LEU B 3 450 HEM B A 7 FT #HET 342 349 GLY B 3 450 HEM B B 2 FT #HET 346 353 ILE B 3 450 HEM B S 6 FT #HET 379 386 VAL B 4 500 CNL B S 1 CC SEQUENCE 397 AA (ATOM); CC TSLFTTADHY HTPLGPDGTP HAFFEALRDE AETTPIGWSE AYGGHWVVAG YKEIQAVIQN CC TKAFSNKGVT FPRYETGEFE LMMAGQDDPV HKKYRQLVAK PFSPEATDLF TEQLRQSTND CC LIDARIELGE GDAATWLANE IPARLTAILL GLPPEDGDTY RRWVWAITHV ENPEEGAEIF CC AELVAHARTL IAERRTNPGN DIMSRVIMSK IDGESLSEDD LIGFFTILLL GGIDNTARFL CC SSVFWRLAWD IELRRRLIAH PELIPNAVDE LLRFYGPAMV GRLVTQEVTV GDITMKPGQT CC AMLWFPIASR DRSAFDSPDN IVIERTPNRH LSLGHGIHRC LGAHLIRVEA RVAITEFLKR CC IPEFSLDPNK ECEWLMGQVA GMLHVPIIFP KGKRLSE CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES TSLFTTADHYHTPLGPDGTPHAFFEALRDEAETTPIGWSEAYGGHWVVAG CC ATOM TSLFTTADHYHTPLGPDGTPHAFFEALRDEAETTPIGWSEAYGGHWVVAG CC ************************************************** CC SEQRES YKEIQAVIQNTKAFSNKGVTFPRYETGEFELMMAGQDDPVHKKYRQLVAK CC ATOM YKEIQAVIQNTKAFSNKGVTFPRYETGEFELMMAGQDDPVHKKYRQLVAK CC ************************************************** CC SEQRES PFSPEATDLFTEQLRQSTNDLIDARIELGEGDAATWLANEIPARLTAILL CC ATOM PFSPEATDLFTEQLRQSTNDLIDARIELGEGDAATWLANEIPARLTAILL CC ************************************************** CC SEQRES GLPPEDGDTYRRWVWAITHVENPEEGAEIFAELVAHARTLIAERRTNPGN CC ATOM GLPPEDGDTYRRWVWAITHVENPEEGAEIFAELVAHARTLIAERRTNPGN CC ************************************************** CC SEQRES DIMSRVIMSKIDGESLSEDDLIGFFTILLLGGIDNTARFLSSVFWRLAWD CC ATOM DIMSRVIMSKIDGESLSEDDLIGFFTILLLGGIDNTARFLSSVFWRLAWD CC ************************************************** CC SEQRES IELRRRLIAHPELIPNAVDELLRFYGPAMVGRLVTQEVTVGDITMKPGQT CC ATOM IELRRRLIAHPELIPNAVDELLRFYGPAMVGRLVTQEVTVGDITMKPGQT CC ************************************************** CC SEQRES AMLWFPIASRDRSAFDSPDNIVIERTPNRHLSLGHGIHRCLGAHLIRVEA CC ATOM AMLWFPIASRDRSAFDSPDNIVIERTPNRHLSLGHGIHRCLGAHLIRVEA CC ************************************************** CC SEQRES RVAITEFLKRIPEFSLDPNKECEWLMGQVAGMLHVPIIFPKGKRLSE CC ATOM RVAITEFLKRIPEFSLDPNKECEWLMGQVAGMLHVPIIFPKGKRLSE CC *********************************************** SQ SEQUENCE 397 AA; MW; CN; TSLFTTADHY HTPLGPDGTP HAFFEALRDE AETTPIGWSE AYGGHWVVAG YKEIQAVIQN TKAFSNKGVT FPRYETGEFE LMMAGQDDPV HKKYRQLVAK PFSPEATDLF TEQLRQSTND LIDARIELGE GDAATWLANE IPARLTAILL GLPPEDGDTY RRWVWAITHV ENPEEGAEIF AELVAHARTL IAERRTNPGN DIMSRVIMSK IDGESLSEDD LIGFFTILLL GGIDNTARFL SSVFWRLAWD IELRRRLIAH PELIPNAVDE LLRFYGPAMV GRLVTQEVTV GDITMKPGQT AMLWFPIASR DRSAFDSPDN IVIERTPNRH LSLGHGIHRC LGAHLIRVEA RVAITEFLKR IPEFSLDPNK ECEWLMGQVA GMLHVPIIFP KGKRLSE //