Structure of PDB 5xfa Chain B Binding Site BS03

Receptor Information
>5xfa Chain B (length=234) Species: 297 (Hydrogenophilus thermoluteolus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ASETFTLDEESIPFVPGQTVLEAALAAGRYIPHLCWHPEMGNHGSCRLCV
VEANGRIQASCALPAQPGLQVVSKSETLTRVRRTLLEMLFAEGNHFCPGC
EKSGDCLLQALAYAHGMTASHFDPFYPQRRIDASHPDLWLDPNRCILCGL
CVRASLAEGKEALVIGGRGIASRLLATSASGRLGDTALAATDRAARICPV
GALNFKAAGFTTPIGKRRFDHRPPEAMSDKERYT
Ligand information
Ligand IDFES
InChIInChI=1S/2Fe.2S
InChIKeyNIXDOXVAJZFRNF-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04[Fe]1S[Fe]S1
CACTVS 3.341
OpenEye OEToolkits 1.5.0		S1[Fe]S[Fe]1
FormulaFe2 S2
NameFE2/S2 (INORGANIC) CLUSTER
ChEMBL
DrugBank
ZINC
PDB chain5xfa Chain B Residue 303 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5xfa Structural basis of the redox switches in the NAD(+)-reducing soluble [NiFe]-hydrogenase
Resolution2.7 Å
Binding residue
(original residue number in PDB)		C43 W44 G52 C54 R55 C57 C69
Binding residue
(residue number reindexed from 1)		C35 W36 G44 C46 R47 C49 C61
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:0051537 2 iron, 2 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:5xfa, PDBe:5xfa, PDBj:5xfa
PDBsum5xfa
PubMed28860386
UniProtA0A077L885

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