2025-03-01_00000163|medium|9BOV

Structure of electron bifurcating Nfn-ABC complexed with NAD from Caldicellulosiruptor saccharolyticus; Electron microscopy 3.00Å
Protein #1 1178 residues (100% resolved)

MRLVRVNIDNKEIFAEEGKTILEVAHENNIEIPHLCYDKRLKPYGACGLCVVEIEGSPKLARACSTYVTDKMVIKTDSPRVRNARKMALELLLSEHRGDCRPPCVLACPAHTDCQGYVGLIANGQFREAVALIKEQLPFPASIGRVCPHPCEEACRRNMVDQPIAIAELKRFVGDIDLLDDGYIPPIKPKTGKKVAIVGGGPAGLTCAFFLAKEGHDIVVYEAMPKAGGMLRYGIPEYRLPKGILDKEIELIEKMGVQIKTNMRLGVDISLEYLRKNYDAVFLAVGAWKSSTLGCPGDSAEGVIGGIEFLRKVSMNQPVNLGQRVLVVGGGNTAMDAARTAIRLGAKEVTVLYRRTREEMPAEDIEVNEAEEEGVKFQFLVAPIEVITDGGRVRALKCQRMRLGDMDESGRRRPVPIEGAEVIFEADTIISAIGQKVRVEDVEGLELTRHGTIKVDEGTYQTSLEGVFAGGDAVTGPKIAIEAIAQGKNAARVIDSYLRGKLEPIKEPYYVKQEDLTPEDFKDRERKPRVPLKVANAEERKNNFREITSTMTEKEAIAEASRCLECGCMDYFECQLYKYVNQYDVDPQRLSGYKHKRYEPQKHPFIERNPDKCILCGLCIRVCEEVVGVCALGFVNRGFETIVKPEFGLPLEETSCISCGQCADICPTGACIGKQPVAKQVPVNTVATKTVCTFCGMGCEMLVETKGNLIFDVSPVQSNEGMLCAFGRFGIKYVNDKDRILAPLIKVNGELSKTTFDQALIETAKKLQAIRASYGKDSIAIIASQRLTNEEALLLTKLAQKLDTTVIGSFDLRESVLDRIFGLNASTNSFDEIYSTDLIVAVGKVAENHAVMGAKLKKAVELGAKLVTINNGETRADERAIATYKIDNTAFFKATIKALFEMKAVDEDYVSKIAVNLDELKDDVKNVEVTDEASEFAKIIAGAKTAMVIVDEESVSDTTIGQLANILTLTQKIGRPRCGIIKVTGLGNTQGAWDMGIRMSKEGIVKLINEGKVKAAFIVSEDPQAADKNLGEVLDKLECLIVADVFLTETGKRADVVLPLVSHVESTGTVTRADGKIQNLNLVLKPKNGLSNLDLLLKLAELFGLQYNLEKLNREMVELLQNENKYNQQILYTEGFATPDKTVHLFVSKDAPAFVEKAVFDTVKNRFEKYLQDKHLKY

MRLVRVNIDNKEIFAEEGKTILEVAHENNIEIPHLCYDKRLKPYGACGLCVVEIEGSPKLARACSTYVTDKMVIKTDSPRVRNARKMALELLLSEHRGDCRPPCVLACPAHTDCQGYVGLIANGQFREAVALIKEQLPFPASIGRVCPHPCEEACRRNMVDQPIAIAELKRFVGDIDLLDDGYIPPIKPKTGKKVAIVGGGPAGLTCAFFLAKEGHDIVVYEAMPKAGGMLRYGIPEYRLPKGILDKEIELIEKMGVQIKTNMRLGVDISLEYLRKNYDAVFLAVGAWKSSTLGCPGDSAEGVIGGIEFLRKVSMNQPVNLGQRVLVVGGGNTAMDAARTAIRLGAKEVTVLYRRTREEMPAEDIEVNEAEEEGVKFQFLVAPIEVITDGGRVRALKCQRMRLGDMDESGRRRPVPIEGAEVIFEADTIISAIGQKVRVEDVEGLELTRHGTIKVDEGTYQTSLEGVFAGGDAVTGPKIAIEAIAQGKNAARVIDSYLRGKLEPIKEPYYVKQEDLTPEDFKDRERKPRVPLKVANAEERKNNFREITSTMTEKEAIAEASRCLECGCMDYFECQLYKYVNQYDVDPQRLSGYKHKRYEPQKHPFIERNPDKCILCGLCIRVCEEVVGVCALGFVNRGFETIVKPEFGLPLEETSCISCGQCADICPTGACIGKQPVAKQVPVNTVATKTVCTFCGMGCEMLVETKGNLIFDVSPVQSNEGMLCAFGRFGIKYVNDKDRILAPLIKVNGELSKTTFDQALIETAKKLQAIRASYGKDSIAIIASQRLTNEEALLLTKLAQKLDTTVIGSFDLRESVLDRIFGLNASTNSFDEIYSTDLIVAVGKVAENHAVMGAKLKKAVELGAKLVTINNGETRADERAIATYKIDNTAFFKATIKALFEMKAVDEDYVSKIAVNLDELKDDVKNVEVTDEASEFAKIIAGAKTAMVIVDEESVSDTTIGQLANILTLTQKIGRPRCGIIKVTGLGNTQGAWDMGIRMSKEGIVKLINEGKVKAAFIVSEDPQAADKNLGEVLDKLECLIVADVFLTETGKRADVVLPLVSHVESTGTVTRADGKIQNLNLVLKPKNGLSNLDLLLKLAELFGLQYNLEKLNREMVELLQNENKYNQQILYTEGFATPDKTVHLFVSKDAPAFVEKAVFDTVKNRFEKYLQDKHLKY
Protein #2 584 residues (90% resolved)

MKIRVGLGSCGMAAGGNKVMECIQQELRSRNLDIPVEPTGCIGLCFFEPLVDVIDGDDVYTYGNVTPEMIPKIIESHVIGKKPLDEFIVSTSFEPYPMLKSQVRIALKNCGRINPEDIDDYIKNGGYEALKKVLTSMTPEEVIEEIKISGLRGRGGAGFPTWFKWDAARKASGDIKYVVCNADEGDPGAFMDRSILEGDPHAVLEGMTIAAYAIGAKEGYIYVRAEYPLAIKRLEIAIEQARNRNLLGNNILNTNFSFDIKLKKGAGAFVCGEETALIASIEGERGMPRLKPPFPAQSGLWGRPTNINNVETYANVPWIITNGGKAFASLGTEKSKGTKVFALAGKIKRGGLVEVPMGMSLREVIYNIGGGIKDDKAFKAVQMGGPSGGCIPADLIDTPVDYESITKTGAIMGSGGMIVMDETTCMVDIARFFLEFTCKESCGKCTYCRVGTRRMLEILDRICNGEGRDGDLELLEELAVSVKDGSLCGLGQTAPNPVLTTLRYFKDEYIAHIRDKKCPAKQCKALITYSILPEKCTGCGLCARKCPTKAITGERLKPHVIDQSKCTKCGTCMNVCRFGAVNVE

MKIRVGLGSCGMAAGGNKVMECIQQELRSRNLDIPVEPTGCIGLCFFEPLVDVIDGDDVYTYGNVTPEMIPKIIESHVIGKKPLDEFIVSTSFEPYPMLKSQVRIALKNCGRINPEDIDDYIKNGGYEALKKVLTSMTPEEVIEEIKISGLRGRGGAGFPTWFKWDAARKASGDIKYVVCNADEGDPGAFMDRSILEGDPHAVLEGMTIAAYAIGAKEGYIYVRAEYPLAIKRLEIAIEQARNRNLLGNNILNTNFSFDIKLKKGAGAFVCGEETALIASIEGERGMPRLKPPFPAQSGLWGRPTNINNVETYANVPWIITNGGKAFASLGTEKSKGTKVFALAGKIKRGGLVEVPMGMSLREVIYNIGGGIKDDKAFKAVQMGGPSGGCIPADLIDTPVDYESITKTGAIMGSGGMIVMDETTCMVDIARFFLEFTCKESCGKCTYCRVGTRRMLEILDRICNGEGRDGDLELLEELAVSVKDGSLCGLGQTAPNPVLTTLRYFKDEYIAHIRDKKCPAKQCKALITYSILPEKCTGCGLCARKCPTKAITGERLKPHVIDQSKCTKCGTCMNVCRFGAVNVE
Protein #3 176 residues (38% resolved)

MYMSCPECENRLASNFKNQKVDLSLLDPVLDEYKGEKSNIIAILQKTQEIYRFLPLDALNYISEKTGVKKAKIYGIATFYAQFRLKPVGKYVILQCQGTACHVNGSEEIKNALCDELNIKPGDTTEDGMFTLEEVACLGCCSLAPVMMINGETYGKLTPDKAREIIRRIYEREKNV

MYMSCPECENRLASNFKNQKVDLSLLDPVLDEYKGEKSNIIAILQKTQEIYRFLPLDALNYISEKTGVKKAKIYGIATFYAQFRLKPVGKYVILQCQGTACHVNGSEEIKNALCDELNIKPGDTTEDGMFTLEEVACLGCCSLAPVMMINGETYGKLTPDKAREIIRRIYEREKNV
Non polymer #4 FAD

InChI=1S/C27H33N9O15P2/c1-10-3-12-13(4-11(10)2)35(24-18(32-12)25(42)34-27(43)33-24)5-14(37)19(39)15(38)6-48-52(44,45)51-53(46,47)49-7-16-20(40)21(41)26(50-16)36-9-31-17-22(28)29-8-30-23(17)36/h3-4,8-9,14-16,19-21,26,37-41H,5-7H2,1-2H3,(H,44,45)(H,46,47)(H2,28,29,30)(H,34,42,43)/t14-,15+,16+,19-,20+,21+,26+/m0/s1

Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O
Non polymer #5 FES

InChI=1S/2Fe.2S

S1[Fe]S[Fe]1
Non polymer #6 FMN

InChI=1S/C17H21N4O9P/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(22)14(24)12(23)6-30-31(27,28)29/h3-4,11-12,14,22-24H,5-6H2,1-2H3,(H,20,25,26)(H2,27,28,29)/t11-,12+,14-/m0/s1

Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O
Non polymer #7 NAD

InChI=1S/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1

c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N
Non polymer #8 SF4

InChI=1S/4Fe.4S

[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45
Non polymer #9 ZN

InChI=1S/Zn/q+2

[Zn+2]
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Reference