Structure of PDB 7t2r Chain F Binding Site BS05

Receptor Information
>7t2r Chain F (length=665) Species: 97477 (Acetomicrobium mobile) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKEITLTIDGKVCKGVQGDTILDVANKNDVYIPTLCYQKGLTPIGACRMC
VVQLEGNPKMLPSCTTPAQDGMVVVTKNEKLKDYRRQILELLFAGRNHFC
MYCSQSGDCELQRLAIEHEMDSVRFPYLYEDFEVDATDPNLMMDHNRCVL
CQRCIRTCSEIVGAHTLDLERRGWQAKVIADLGKRLRESDTCVNCGACAQ
SCPTGTITIREFAYRGRRSECDAVVESVCPLCAVGCKIKTYVRTGSIVRV
EGTGVEEPDGGQLCHMGRWWLPESTERERVTVPLIREGASYREATWEEAL
ALASAEFKKAYDQEKAGAILSSLCTDEELTLFSALFRNALKMKHIDTFDG
DIIRGFFKGFMPFREQGVRPFTAAHHILDSDLIITMFADPQKEAPVVASY
IRVACLHRNAKLMNLSYGPSPFPGLVDLDIRLPEGQAVPKALSNLAEIIG
KISIEESARAMGLDPKIAEEVALMLISARRPIFIIGGRATKSHELVTAAC
NLAVASKAFFEDGLGVVPLLVSANSLGARNTVVSENPWLGRERRDFLYVF
STAMVPEEEEILAAISATRFVVVQTPFKVRPLVNLADILLPAPAWYERSG
HFCTIEGERRKLNTIVPPKGEIKSLHYVMDEFAKKLGVKLERPEVSPCEE
IFKSQLRASEARIVT
Ligand information
Ligand IDSF4
InChIInChI=1S/4Fe.4S
InChIKeyLJBDFODJNLIPKO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45
CACTVS 3.385S1[Fe]S[Fe]1.S2[Fe]S[Fe]2
FormulaFe4 S4
NameIRON/SULFUR CLUSTER
ChEMBL
DrugBank
ZINC
PDB chain7t2r Chain F Residue 705 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7t2r Structure and electron transfer pathways of an electron-bifurcating NiFe-hydrogenase.
Resolution3.2 Å
Binding residue
(original residue number in PDB)		H98 F99 C100 C103 Q105 S106 C109 R147 T204
Binding residue
(residue number reindexed from 1)		H98 F99 C100 C103 Q105 S106 C109 R147 T204
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0008137 NADH dehydrogenase (ubiquinone) activity
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
GO:0051536 iron-sulfur cluster binding
GO:0051539 4 iron, 4 sulfur cluster binding
Biological Process
GO:0042773 ATP synthesis coupled electron transport
GO:1902600 proton transmembrane transport
Cellular Component
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7t2r, PDBe:7t2r, PDBj:7t2r
PDBsum7t2r
PubMed35213221
UniProtI4BYB4

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