Structure of PDB 8bew Chain D Binding Site BS04

Receptor Information
>8bew Chain D (length=571) Species: 2325 (Thermoanaerobacter kivui) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MNMVMLTIDGKQVQVEKGTTIKKAAEKLGIEIPGLCDDNDLKPFGACRLC
VVEDARGNLVASCHTPVREGMVVKTNSPKVLKARRVILELLLSSHNADCF
ECDKNLHCKLQKYAYELNIRNIRFKGEKRNYEIKDNGPIYYDPNKCILCG
KCVRICEEVQHICAIDFASRGFKAYISTPFEKPLLESDCIFCGQCVRVCP
TGALAEKTDIERIYEAISDPNKVVVVQVAPAVRVALGEEFGLEPGEIVTG
KMVAALKRLGFDKVFDTQFAADMTIVEETAELVERLEKGENFPMFTSCCP
SWILAVEKFYPELIPNISTARSPQQIFGAIAKNYYAKKIGVARENMFVVS
VMPCIGKKFEATRPEFNNDVDAVLTTRELARMIKESGIDFIKLEEENFDS
PLGESTGAAAIFGVTGGVMEAALRTAYSIMTGEELEGDKIEFTAVRGLEG
IKEAEVDIKGKKVRIAIANGIGNAKKLIEKIKSGETKYDFVEVMACPGGC
MSGGGQPYTDDPEFRKKRMEGIYKNDRNLPKRKSHENEEVKKVYEEYYEK
PCGPKAHEELHTHYHSRKKEY
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 chain8bew Chain D Residue 604 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8bew Molecular Basis of the Electron Bifurcation Mechanism in the [FeFe]-Hydrogenase Complex HydABC.
Resolution3.49 Å
Binding residue
(original residue number in PDB)		C146 C149 G150 C152 C199 A203 L204
Binding residue
(residue number reindexed from 1)		C146 C149 G150 C152 C199 A203 L204
Annotation score1
Enzymatic activity
Enzyme Commision number 1.12.1.3: hydrogen dehydrogenase (NADP(+)).
Gene Ontology
Molecular Function
GO:0005506 iron ion binding
GO:0008137 NADH dehydrogenase (ubiquinone) activity
GO:0008901 ferredoxin hydrogenase activity
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
GO:0050583 hydrogen dehydrogenase (NADP+) activity
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:8bew, PDBe:8bew, PDBj:8bew
PDBsum8bew
PubMed36811855
UniProtA0A097ATG3

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