Structure of PDB 8bew Chain D Binding Site BS03

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 603 [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)		H95 C99 C102 C108
Binding residue
(residue number reindexed from 1)		H95 C99 C102 C108
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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