eF-site ID 3h8l-AB PDB Code 3h8l Chain A, B click to enlarge Title The first X-ray structure of a sulfide:quinone oxidoreductase: insights into sulfide oxidation mechanism Classification OXIDOREDUCTASE Compound NADH oxidase Source ORGANISM_COMMON: Desulfurolobus ambivalens; ORGANISM_SCIENTIFIC: Acidianus ambivalens; Sequence A:  TKVLVLGGRFGALTAAYTLKRLVGSKADVKVINKSRFSYF RPALPHVAIGVRDVDELKVDLSEALPEKGIQFQEGTVEKI DAKSSMVYYTKPDGSMAEEEYDYVIVGIGAHLATELVKGW DKYGYSVCEPEFATKLREKLESFQGGNIAIGSGPFYQGHN PKPKVPENFVPNADSACEGPVFEMSLMLHGYFKKKGMLDK VHVTVFSPGEYLSDLSPNSRKAVASIYNQLGIKLVHNFKI KEIREHEIVDEKGNTIPADITILLPPYTGNPALKNSTPDL VDDGGFIPTDLNMVSIKYDNVYAVGDANSMTVPKLGYLAV MTGRIAAQHLANRLGVPTKVDKYYPTIVCVADNPYE B:  TKVLVLGGRFGALTAAYTLKRLVGSKADVKVINKSRFSYF RPALPHVAIGVRDVDELKVDLSEALPEKGIQFQEGTVEKI DAKSSMVYYTKPDGSMAEEEYDYVIVGIGAHLATELVKGW DKYGYSVCEPEFATKLREKLESFQGGNIAIGSGPFYQGHN PKPKVPENFVPNADSACEGPVFEMSLMLHGYFKKKGMLDK VHVTVFSPGEYLSDLSPNSRKAVASIYNQLGIKLVHNFKI KEIREHEIVDEKGNTIPADITILLPPYTGNPALKNSTPDL VDDGGFIPTDLNMVSIKYDNVYAVGDANSMTVPKLGYLAV MTGRIAAQHLANRLGVPTKVDKYYPTIVCVADNPYE Description (1)  NADH oxidase (E.C.1.6.99.3) Functional site 1) chain A residue 8 type sequence G description BINDING SITE FOR RESIDUE FAD A 1001 source : AC1 2) chain A residue 9 type sequence G description BINDING SITE FOR RESIDUE FAD A 1001 source : AC1 3) chain A residue 10 type sequence R description BINDING SITE FOR RESIDUE FAD A 1001 source : AC1 4) chain A residue 11 type sequence F description BINDING SITE FOR RESIDUE FAD A 1001 source : AC1 5) chain A residue 12 type sequence G description BINDING SITE FOR RESIDUE FAD A 1001 source : AC1 6) chain A residue 34 type sequence N description BINDING SITE FOR RESIDUE FAD A 1001 source : AC1 7) chain A residue 35 type sequence K description BINDING SITE FOR RESIDUE FAD A 1001 source : AC1 8) chain A residue 44 type sequence A description BINDING SITE FOR RESIDUE FAD A 1001 source : AC1 9) chain A residue 76 type sequence G description BINDING SITE FOR RESIDUE FAD A 1001 source : AC1 10) chain A residue 77 type sequence T description BINDING SITE FOR RESIDUE FAD A 1001 source : AC1 11) chain A residue 78 type sequence V description BINDING SITE FOR RESIDUE FAD A 1001 source : AC1 12) chain A residue 108 type sequence G description BINDING SITE FOR RESIDUE FAD A 1001 source : AC1 13) chain A residue 109 type sequence I description BINDING SITE FOR RESIDUE FAD A 1001 source : AC1 14) chain A residue 129 type sequence C description BINDING SITE FOR RESIDUE FAD A 1001 source : AC1 15) chain A residue 181 type sequence P description BINDING SITE FOR RESIDUE FAD A 1001 source : AC1 16) chain A residue 271 type sequence N description BINDING SITE FOR RESIDUE FAD A 1001 source : AC1 17) chain A residue 306 type sequence G description BINDING SITE FOR RESIDUE FAD A 1001 source : AC1 18) chain A residue 307 type sequence D description BINDING SITE FOR RESIDUE FAD A 1001 source : AC1 19) chain A residue 315 type sequence K description BINDING SITE FOR RESIDUE FAD A 1001 source : AC1 20) chain A residue 316 type sequence L description BINDING SITE FOR RESIDUE FAD A 1001 source : AC1 21) chain A residue 317 type sequence G description BINDING SITE FOR RESIDUE FAD A 1001 source : AC1 22) chain A residue 318 type sequence Y description BINDING SITE FOR RESIDUE FAD A 1001 source : AC1 23) chain A residue 178 type sequence C description BINDING SITE FOR RESIDUE S3H A 1002 source : AC2 24) chain A residue 315 type sequence K description BINDING SITE FOR RESIDUE S3H A 1002 source : AC2 25) chain A residue 316 type sequence L description BINDING SITE FOR RESIDUE S3H A 1002 source : AC2 26) chain A residue 350 type sequence C description BINDING SITE FOR RESIDUE S3H A 1002 source : AC2 27) chain A residue 36 type sequence S description BINDING SITE FOR RESIDUE PO4 A 2001 source : AC3 28) chain A residue 37 type sequence R description BINDING SITE FOR RESIDUE PO4 A 2001 source : AC3 29) chain A residue 75 type sequence E description BINDING SITE FOR RESIDUE PO4 A 2001 source : AC3 30) chain A residue 190 type sequence H description BINDING SITE FOR RESIDUE PO4 A 2002 source : AC4 31) chain A residue 194 type sequence K description BINDING SITE FOR RESIDUE PO4 A 2002 source : AC4 32) chain B residue 343 type sequence K description BINDING SITE FOR RESIDUE PO4 A 2002 source : AC4 33) chain A residue 35 type sequence K description BINDING SITE FOR RESIDUE PO4 A 2003 source : AC5 34) chain A residue 111 type sequence A description BINDING SITE FOR RESIDUE PO4 A 2003 source : AC5 35) chain A residue 112 type sequence H description BINDING SITE FOR RESIDUE PO4 A 2003 source : AC5 36) chain A residue 271 type sequence N description BINDING SITE FOR RESIDUE PO4 A 2003 source : AC5 37) chain A residue 272 type sequence P description BINDING SITE FOR RESIDUE PO4 A 2003 source : AC5 38) chain A residue 155 type sequence P description BINDING SITE FOR RESIDUE PO4 A 410 source : AC6 39) chain A residue 157 type sequence Y description BINDING SITE FOR RESIDUE PO4 A 410 source : AC6 40) chain A residue 240 type sequence K description BINDING SITE FOR RESIDUE PO4 A 410 source : AC6 41) chain A residue 240 type sequence K description BINDING SITE FOR RESIDUE PO4 A 410 source : AC6 42) chain B residue 111 type sequence A description BINDING SITE FOR RESIDUE PO4 B 2003 source : AC7 43) chain B residue 112 type sequence H description BINDING SITE FOR RESIDUE PO4 B 2003 source : AC7 44) chain B residue 272 type sequence P description BINDING SITE FOR RESIDUE PO4 B 2003 source : AC7 45) chain B residue 8 type sequence G description BINDING SITE FOR RESIDUE FAD B 1001 source : AC8 46) chain B residue 9 type sequence G description BINDING SITE FOR RESIDUE FAD B 1001 source : AC8 47) chain B residue 10 type sequence R description BINDING SITE FOR RESIDUE FAD B 1001 source : AC8 48) chain B residue 11 type sequence F description BINDING SITE FOR RESIDUE FAD B 1001 source : AC8 49) chain B residue 12 type sequence G description BINDING SITE FOR RESIDUE FAD B 1001 source : AC8 50) chain B residue 34 type sequence N description BINDING SITE FOR RESIDUE FAD B 1001 source : AC8 51) chain B residue 35 type sequence K description BINDING SITE FOR RESIDUE FAD B 1001 source : AC8 52) chain B residue 44 type sequence A description BINDING SITE FOR RESIDUE FAD B 1001 source : AC8 53) chain B residue 76 type sequence G description BINDING SITE FOR RESIDUE FAD B 1001 source : AC8 54) chain B residue 77 type sequence T description BINDING SITE FOR RESIDUE FAD B 1001 source : AC8 55) chain B residue 78 type sequence V description BINDING SITE FOR RESIDUE FAD B 1001 source : AC8 56) chain B residue 108 type sequence G description BINDING SITE FOR RESIDUE FAD B 1001 source : AC8 57) chain B residue 109 type sequence I description BINDING SITE FOR RESIDUE FAD B 1001 source : AC8 58) chain B residue 129 type sequence C description BINDING SITE FOR RESIDUE FAD B 1001 source : AC8 59) chain B residue 181 type sequence P description BINDING SITE FOR RESIDUE FAD B 1001 source : AC8 60) chain B residue 271 type sequence N description BINDING SITE FOR RESIDUE FAD B 1001 source : AC8 61) chain B residue 306 type sequence G description BINDING SITE FOR RESIDUE FAD B 1001 source : AC8 62) chain B residue 307 type sequence D description BINDING SITE FOR RESIDUE FAD B 1001 source : AC8 63) chain B residue 315 type sequence K description BINDING SITE FOR RESIDUE FAD B 1001 source : AC8 64) chain B residue 316 type sequence L description BINDING SITE FOR RESIDUE FAD B 1001 source : AC8 65) chain B residue 317 type sequence G description BINDING SITE FOR RESIDUE FAD B 1001 source : AC8 66) chain B residue 318 type sequence Y description BINDING SITE FOR RESIDUE FAD B 1001 source : AC8 67) chain B residue 178 type sequence C description BINDING SITE FOR RESIDUE S3H B 1002 source : AC9 68) chain B residue 315 type sequence K description BINDING SITE FOR RESIDUE S3H B 1002 source : AC9 69) chain B residue 316 type sequence L description BINDING SITE FOR RESIDUE S3H B 1002 source : AC9 70) chain B residue 350 type sequence C description BINDING SITE FOR RESIDUE S3H B 1002 source : AC9 71) chain B residue 36 type sequence S description BINDING SITE FOR RESIDUE PO4 B 2001 source : BC1 72) chain B residue 37 type sequence R description BINDING SITE FOR RESIDUE PO4 B 2001 source : BC1 73) chain B residue 75 type sequence E description BINDING SITE FOR RESIDUE PO4 B 2001 source : BC1 74) chain B residue 190 type sequence H description BINDING SITE FOR RESIDUE PO4 B 2002 source : BC2 75) chain B residue 194 type sequence K description BINDING SITE FOR RESIDUE PO4 B 2002 source : BC2 76) chain A residue 3 type sequence K description BINDING SITE FOR RESIDUE PO4 B 410 source : BC3 77) chain A residue 72 type sequence Q description BINDING SITE FOR RESIDUE PO4 B 410 source : BC3 78) chain B residue 99 type sequence E description BINDING SITE FOR RESIDUE PO4 B 410 source : BC3 79) chain A residue 89 type sequence Y description BINDING SITE FOR RESIDUE PO4 B 411 source : BC4 80) chain A residue 99 type sequence E description BINDING SITE FOR RESIDUE PO4 B 411 source : BC4 81) chain B residue 92 type sequence K description BINDING SITE FOR RESIDUE PO4 B 411 source : BC4 82) chain B residue 94 type sequence D description BINDING SITE FOR RESIDUE PO4 B 411 source : BC4 83) chain B residue 96 type sequence S description BINDING SITE FOR RESIDUE PO4 B 411 source : BC4 84) chain A residue 178 type ACT_SITE sequence C description Cysteine persulfide intermediate => ECO:0000269|PubMed:19438211 source Swiss-Prot : SWS_FT_FI1 85) chain A residue 350 type ACT_SITE sequence C description Cysteine persulfide intermediate => ECO:0000269|PubMed:19438211 source Swiss-Prot : SWS_FT_FI1 86) chain B residue 178 type ACT_SITE sequence C description Cysteine persulfide intermediate => ECO:0000269|PubMed:19438211 source Swiss-Prot : SWS_FT_FI1 87) chain B residue 350 type ACT_SITE sequence C description Cysteine persulfide intermediate => ECO:0000269|PubMed:19438211 source Swiss-Prot : SWS_FT_FI1 88) chain B residue 271 type BINDING sequence N description BINDING => ECO:0000269|PubMed:19438211 source Swiss-Prot : SWS_FT_FI2 89) chain B residue 307 type BINDING sequence D description BINDING => ECO:0000269|PubMed:19438211 source Swiss-Prot : SWS_FT_FI2 90) chain B residue 317 type BINDING sequence G description BINDING => ECO:0000269|PubMed:19438211 source Swiss-Prot : SWS_FT_FI2 91) chain A residue 307 type BINDING sequence D description BINDING => ECO:0000269|PubMed:19438211 source Swiss-Prot : SWS_FT_FI2 92) chain A residue 317 type BINDING sequence G description BINDING => ECO:0000269|PubMed:19438211 source Swiss-Prot : SWS_FT_FI2 93) chain B residue 8 type BINDING sequence G description BINDING => ECO:0000269|PubMed:19438211 source Swiss-Prot : SWS_FT_FI2 94) chain B residue 34 type BINDING sequence N description BINDING => ECO:0000269|PubMed:19438211 source Swiss-Prot : SWS_FT_FI2 95) chain B residue 129 type BINDING sequence C description BINDING => ECO:0000269|PubMed:19438211 source Swiss-Prot : SWS_FT_FI2 96) chain A residue 8 type BINDING sequence G description BINDING => ECO:0000269|PubMed:19438211 source Swiss-Prot : SWS_FT_FI2 97) chain A residue 34 type BINDING sequence N description BINDING => ECO:0000269|PubMed:19438211 source Swiss-Prot : SWS_FT_FI2 98) chain A residue 129 type BINDING sequence C description BINDING => ECO:0000269|PubMed:19438211 source Swiss-Prot : SWS_FT_FI2 99) chain A residue 271 type BINDING sequence N description BINDING => ECO:0000269|PubMed:19438211 source Swiss-Prot : SWS_FT_FI2 100) chain A residue 129 type catalytic sequence C description 320 source MCSA : MCSA1 101) chain A residue 178 type catalytic sequence C description 320 source MCSA : MCSA1 102) chain A residue 215 type catalytic sequence D description 320 source MCSA : MCSA1 103) chain A residue 350 type catalytic sequence C description 320 source MCSA : MCSA1 104) chain A residue 353 type catalytic sequence D description 320 source MCSA : MCSA1 105) chain B residue 129 type catalytic sequence C description 320 source MCSA : MCSA2 106) chain B residue 178 type catalytic sequence C description 320 source MCSA : MCSA2 107) chain B residue 215 type catalytic sequence D description 320 source MCSA : MCSA2 108) chain B residue 350 type catalytic sequence C description 320 source MCSA : MCSA2 109) chain B residue 353 type catalytic sequence D description 320 source MCSA : MCSA2

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