ID 1UPXA STANDARD; PRT; 544 AA. DT CONVERTED FROM PDB (SEQRES) 1UPX DE HYDROXYLAMINE REDUCTASE OS DESULFOVIBRIO DESULFURICANS CC EXPDTA X-RAY DIFFRACTION CC RESOLU 1.250 CC R-Factor 0.140 FT #HET 4 4 MET A 1 1544 SF4 A S 1 FT #HET 6 6 CYS A 1 1544 SF4 A A 9 FT #HET 7 7 TYR A 1 1544 SF4 A B 3 FT #HET 8 8 GLN A 1 1544 SF4 A A 4 FT #HET 9 9 CYS A 1 1544 SF4 A A 8 FT #HET 12 12 THR A 1 1544 SF4 A A 3 FT #HET 18 18 CYS A 1 1544 SF4 A S 6 FT #HET 22 22 GLY A 1 1544 SF4 A B 1 FT #HET 23 23 VAL A 1 1544 SF4 A A 3 FT #HET 24 24 CYS A 1 1544 SF4 A A 8 FT #HET 26 26 LYS A 1 1544 SF4 A S 2 FT #HET 75 75 THR A 1 1544 SF4 A S 3 FT #HET 240 240 HIS A 2 1545 SF3 A S 3 FT #HET 240 240 HIS A 3 1546 FSO A S 6 FT #HET 263 263 SER A 2 1545 SF3 A S 1 FT #HET 263 263 SER A 3 1546 FSO A S 1 FT #HET 264 264 GLU A 2 1545 SF3 A S 8 FT #HET 264 264 GLU A 3 1546 FSO A S 8 FT #HET 288 288 TRP A 2 1545 SF3 A S 7 FT #HET 288 288 TRP A 3 1546 FSO A S 6 FT #HET 307 307 ASN A 3 1546 FSO A A 6 FT #HET 308 308 CYS A 2 1545 SF3 A A 5 FT #HET 308 308 CYS A 3 1546 FSO A A 6 FT #HET 399 399 CYS A 2 1545 SF3 A A 6 FT #HET 399 399 CYS A 3 1546 FSO A S 5 FT #HET 427 427 CYS A 2 1545 SF3 A A 6 FT #HET 427 427 CYS A 3 1546 FSO A A 7 FT #HET 452 452 CYS A 2 1545 SF3 A A 5 FT #HET 452 452 CYS A 3 1546 FSO A A 4 FT #HET 486 486 TYR A 2 1545 SF3 A S 1 FT #HET 486 486 TYR A 3 1546 FSO A S 1 FT #HET 487 487 GLU A 2 1545 SF3 A S 6 FT #HET 487 487 GLU A 3 1546 FSO A A 21 FT #HET 489 489 LYS A 3 1546 FSO A S 4 FT #HET 490 490 ALA A 3 1546 FSO A A 2 CC Miss-BB 1 CC SEQUENCE 544 AA (ATOM); CC SNAMFCYQCQ ETVGNKGCTQ VGVCGKKPET AALQDALIYV TKGLGQIATR LRAEGKAVDH CC RIDRLVTGNL FATITNANFD DDILAERVRM TCAAKKELAA SLTDKSGLSD AALWEASEKS CC AMLAKAGTVG VMATTDDDVR SLRWLITFGL KGMAAYAKHA DVLGKHENSL DAFMQEALAK CC TLDDSLSVAD LVALTLETGK FGVSAMALLD AANTGTYGHP EITKVNIGVG SNPGILISGH CC DLRDLEMLLK QTEGTGVDVY THSEMLPAHY YPAFKKYAHF KGNYGNAWWK QKEEFESFNG CC PVLLTTNCLV PPKDSYKDRV YTTGIVGFTG CKHIPGEIGE HKDFSAIIAH AKTCPAPTEI CC ESGEIIGGFA HNQVLALADK VIDAVKSGAI KKFVVMAGCD GRAKSRSYYT DFAEGLPKDT CC VILTAGCAKY RYNKLNLGDI GGIPRVLDAG QCNDSYSLAV IALKLKEVFG LEDVNDLPIV CC YNIAWYEQKA VIVLLALLSL GVKNIHLGPT LPAFLSPNVA KVLVEQFNIG GITSPQDDLK CC AFFG CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES SNAMFCYQCQETVGNKGCTQVGVCGKKPETAALQDALIYVTKGLGQIATR CC ATOM SNAMFCYQCQETVGNKGCTQVGVCGKKPETAALQDALIYVTKGLGQIATR CC ************************************************** CC SEQRES LRAEGKAVDHRIDRLVTGNLFATITNANFDDDILAERVRMTCAAKKELAA CC ATOM LRAEGKAVDHRIDRLVTGNLFATITNANFDDDILAERVRMTCAAKKELAA CC ************************************************** CC SEQRES SLTDKSGLSDAALWEASEKSAMLAKAGTVGVMATTDDDVRSLRWLITFGL CC ATOM SLTDKSGLSDAALWEASEKSAMLAKAGTVGVMATTDDDVRSLRWLITFGL CC ************************************************** CC SEQRES KGMAAYAKHADVLGKHENSLDAFMQEALAKTLDDSLSVADLVALTLETGK CC ATOM KGMAAYAKHADVLGKHENSLDAFMQEALAKTLDDSLSVADLVALTLETGK CC ************************************************** CC SEQRES FGVSAMALLDAANTGTYGHPEITKVNIGVGSNPGILISGHDLRDLEMLLK CC ATOM FGVSAMALLDAANTGTYGHPEITKVNIGVGSNPGILISGHDLRDLEMLLK CC ************************************************** CC SEQRES QTEGTGVDVYTHSEMLPAHYYPAFKKYAHFKGNYGNAWWKQKEEFESFNG CC ATOM QTEGTGVDVYTHSEMLPAHYYPAFKKYAHFKGNYGNAWWKQKEEFESFNG CC ************************************************** CC SEQRES PVLLTTNCLVPPKDSYKDRVYTTGIVGFTGCKHIPGEIGEHKDFSAIIAH CC ATOM PVLLTTNCLVPPKDSYKDRVYTTGIVGFTGCKHIPGEIGEHKDFSAIIAH CC ************************************************** CC SEQRES AKTCPAPTEIESGEIIGGFAHNQVLALADKVIDAVKSGAIKKFVVMAGCD CC ATOM AKTCPAPTEIESGEIIGGFAHNQVLALADKVIDAVKSGAIKKFVVMAGCD CC ************************************************** CC SEQRES GRAKSRSYYTDFAEGLPKDTVILTAGCAKYRYNKLNLGDIGGIPRVLDAG CC ATOM GRAKSRSYYTDFAEGLPKDTVILTAGCAKYRYNKLNLGDIGGIPRVLDAG CC ************************************************** CC SEQRES QCNDSYSLAVIALKLKEVFGLEDVNDLPIVYNIAWYEQKAVIVLLALLSL CC ATOM QCNDSYSLAVIALKLKEVFGLEDVNDLPIVYNIAWYEQKAVIVLLALLSL CC ************************************************** CC SEQRES GVKNIHLGPTLPAFLSPNVAKVLVEQFNIGGITSPQDDLKAFFG CC ATOM GVKNIHLGPTLPAFLSPNVAKVLVEQFNIGGITSPQDDLKAFFG CC ******************************************** SQ SEQUENCE 544 AA; MW; CN; SNAMFCYQCQ ETVGNKGCTQ VGVCGKKPET AALQDALIYV TKGLGQIATR LRAEGKAVDH RIDRLVTGNL FATITNANFD DDILAERVRM TCAAKKELAA SLTDKSGLSD AALWEASEKS AMLAKAGTVG VMATTDDDVR SLRWLITFGL KGMAAYAKHA DVLGKHENSL DAFMQEALAK TLDDSLSVAD LVALTLETGK FGVSAMALLD AANTGTYGHP EITKVNIGVG SNPGILISGH DLRDLEMLLK QTEGTGVDVY THSEMLPAHY YPAFKKYAHF KGNYGNAWWK QKEEFESFNG PVLLTTNCLV PPKDSYKDRV YTTGIVGFTG CKHIPGEIGE HKDFSAIIAH AKTCPAPTEI ESGEIIGGFA HNQVLALADK VIDAVKSGAI KKFVVMAGCD GRAKSRSYYT DFAEGLPKDT VILTAGCAKY RYNKLNLGDI GGIPRVLDAG QCNDSYSLAV IALKLKEVFG LEDVNDLPIV YNIAWYEQKA VIVLLALLSL GVKNIHLGPT LPAFLSPNVA KVLVEQFNIG GITSPQDDLK AFFG // ID 1UPXB STANDARD; PRT; 544 AA. DT CONVERTED FROM PDB (SEQRES) 1UPX DE HYDROXYLAMINE REDUCTASE OS DESULFOVIBRIO DESULFURICANS CC EXPDTA X-RAY DIFFRACTION CC RESOLU 1.250 CC R-Factor 0.140 FT #HET 4 4 MET B 4 1544 SF4 B S 1 FT #HET 6 6 CYS B 4 1544 SF4 B A 9 FT #HET 7 7 TYR B 4 1544 SF4 B B 3 FT #HET 8 8 GLN B 4 1544 SF4 B A 4 FT #HET 9 9 CYS B 4 1544 SF4 B A 8 FT #HET 12 12 THR B 4 1544 SF4 B A 3 FT #HET 18 18 CYS B 4 1544 SF4 B S 6 FT #HET 22 22 GLY B 4 1544 SF4 B B 2 FT #HET 23 23 VAL B 4 1544 SF4 B A 4 FT #HET 24 24 CYS B 4 1544 SF4 B A 8 FT #HET 26 26 LYS B 4 1544 SF4 B S 1 FT #HET 75 75 THR B 4 1544 SF4 B S 3 FT #HET 240 240 HIS B 5 1545 SF3 B S 3 FT #HET 240 240 HIS B 6 1546 FSO B S 7 FT #HET 263 263 SER B 5 1545 SF3 B S 1 FT #HET 263 263 SER B 6 1546 FSO B S 1 FT #HET 264 264 GLU B 5 1545 SF3 B S 8 FT #HET 264 264 GLU B 6 1546 FSO B S 7 FT #HET 288 288 TRP B 5 1545 SF3 B S 7 FT #HET 288 288 TRP B 6 1546 FSO B S 5 FT #HET 307 307 ASN B 6 1546 FSO B A 5 FT #HET 308 308 CYS B 5 1545 SF3 B A 4 FT #HET 308 308 CYS B 6 1546 FSO B A 6 FT #HET 313 313 LYS B 7 1547 MES B A 12 FT #HET 314 314 ASP B 7 1547 MES B A 10 FT #HET 399 399 CYS B 5 1545 SF3 B A 6 FT #HET 399 399 CYS B 6 1546 FSO B S 5 FT #HET 427 427 CYS B 5 1545 SF3 B A 6 FT #HET 427 427 CYS B 6 1546 FSO B A 7 FT #HET 452 452 CYS B 5 1545 SF3 B S 4 FT #HET 452 452 CYS B 6 1546 FSO B A 4 FT #HET 486 486 TYR B 5 1545 SF3 B S 1 FT #HET 486 486 TYR B 6 1546 FSO B S 1 FT #HET 487 487 GLU B 5 1545 SF3 B S 6 FT #HET 487 487 GLU B 6 1546 FSO B A 22 FT #HET 489 489 LYS B 6 1546 FSO B S 4 FT #HET 490 490 ALA B 6 1546 FSO B A 2 CC Miss-BB 1 CC SEQUENCE 544 AA (ATOM); CC SNAMFCYQCQ ETVGNKGCTQ VGVCGKKPET AALQDALIYV TKGLGQIATR LRAEGKAVDH CC RIDRLVTGNL FATITNANFD DDILAERVRM TCAAKKELAA SLTDKSGLSD AALWEASEKS CC AMLAKAGTVG VMATTDDDVR SLRWLITFGL KGMAAYAKHA DVLGKHENSL DAFMQEALAK CC TLDDSLSVAD LVALTLETGK FGVSAMALLD AANTGTYGHP EITKVNIGVG SNPGILISGH CC DLRDLEMLLK QTEGTGVDVY THSEMLPAHY YPAFKKYAHF KGNYGNAWWK QKEEFESFNG CC PVLLTTNCLV PPKDSYKDRV YTTGIVGFTG CKHIPGEIGE HKDFSAIIAH AKTCPAPTEI CC ESGEIIGGFA HNQVLALADK VIDAVKSGAI KKFVVMAGCD GRAKSRSYYT DFAEGLPKDT CC VILTAGCAKY RYNKLNLGDI GGIPRVLDAG QCNDSYSLAV IALKLKEVFG LEDVNDLPIV CC YNIAWYEQKA VIVLLALLSL GVKNIHLGPT LPAFLSPNVA KVLVEQFNIG GITSPQDDLK CC AFFG CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES SNAMFCYQCQETVGNKGCTQVGVCGKKPETAALQDALIYVTKGLGQIATR CC ATOM SNAMFCYQCQETVGNKGCTQVGVCGKKPETAALQDALIYVTKGLGQIATR CC ************************************************** CC SEQRES LRAEGKAVDHRIDRLVTGNLFATITNANFDDDILAERVRMTCAAKKELAA CC ATOM LRAEGKAVDHRIDRLVTGNLFATITNANFDDDILAERVRMTCAAKKELAA CC ************************************************** CC SEQRES SLTDKSGLSDAALWEASEKSAMLAKAGTVGVMATTDDDVRSLRWLITFGL CC ATOM SLTDKSGLSDAALWEASEKSAMLAKAGTVGVMATTDDDVRSLRWLITFGL CC ************************************************** CC SEQRES KGMAAYAKHADVLGKHENSLDAFMQEALAKTLDDSLSVADLVALTLETGK CC ATOM KGMAAYAKHADVLGKHENSLDAFMQEALAKTLDDSLSVADLVALTLETGK CC ************************************************** CC SEQRES FGVSAMALLDAANTGTYGHPEITKVNIGVGSNPGILISGHDLRDLEMLLK CC ATOM FGVSAMALLDAANTGTYGHPEITKVNIGVGSNPGILISGHDLRDLEMLLK CC ************************************************** CC SEQRES QTEGTGVDVYTHSEMLPAHYYPAFKKYAHFKGNYGNAWWKQKEEFESFNG CC ATOM QTEGTGVDVYTHSEMLPAHYYPAFKKYAHFKGNYGNAWWKQKEEFESFNG CC ************************************************** CC SEQRES PVLLTTNCLVPPKDSYKDRVYTTGIVGFTGCKHIPGEIGEHKDFSAIIAH CC ATOM PVLLTTNCLVPPKDSYKDRVYTTGIVGFTGCKHIPGEIGEHKDFSAIIAH CC ************************************************** CC SEQRES AKTCPAPTEIESGEIIGGFAHNQVLALADKVIDAVKSGAIKKFVVMAGCD CC ATOM AKTCPAPTEIESGEIIGGFAHNQVLALADKVIDAVKSGAIKKFVVMAGCD CC ************************************************** CC SEQRES GRAKSRSYYTDFAEGLPKDTVILTAGCAKYRYNKLNLGDIGGIPRVLDAG CC ATOM GRAKSRSYYTDFAEGLPKDTVILTAGCAKYRYNKLNLGDIGGIPRVLDAG CC ************************************************** CC SEQRES QCNDSYSLAVIALKLKEVFGLEDVNDLPIVYNIAWYEQKAVIVLLALLSL CC ATOM QCNDSYSLAVIALKLKEVFGLEDVNDLPIVYNIAWYEQKAVIVLLALLSL CC ************************************************** CC SEQRES GVKNIHLGPTLPAFLSPNVAKVLVEQFNIGGITSPQDDLKAFFG CC ATOM GVKNIHLGPTLPAFLSPNVAKVLVEQFNIGGITSPQDDLKAFFG CC ******************************************** SQ SEQUENCE 544 AA; MW; CN; SNAMFCYQCQ ETVGNKGCTQ VGVCGKKPET AALQDALIYV TKGLGQIATR LRAEGKAVDH RIDRLVTGNL FATITNANFD DDILAERVRM TCAAKKELAA SLTDKSGLSD AALWEASEKS AMLAKAGTVG VMATTDDDVR SLRWLITFGL KGMAAYAKHA DVLGKHENSL DAFMQEALAK TLDDSLSVAD LVALTLETGK FGVSAMALLD AANTGTYGHP EITKVNIGVG SNPGILISGH DLRDLEMLLK QTEGTGVDVY THSEMLPAHY YPAFKKYAHF KGNYGNAWWK QKEEFESFNG PVLLTTNCLV PPKDSYKDRV YTTGIVGFTG CKHIPGEIGE HKDFSAIIAH AKTCPAPTEI ESGEIIGGFA HNQVLALADK VIDAVKSGAI KKFVVMAGCD GRAKSRSYYT DFAEGLPKDT VILTAGCAKY RYNKLNLGDI GGIPRVLDAG QCNDSYSLAV IALKLKEVFG LEDVNDLPIV YNIAWYEQKA VIVLLALLSL GVKNIHLGPT LPAFLSPNVA KVLVEQFNIG GITSPQDDLK AFFG //