Structure of PDB 8bew Chain B Binding Site BS04

Receptor Information
>8bew Chain B (length=630) Species: 2325 (Thermoanaerobacter kivui) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MVKLKSIQELENLREKIKEAKKKEKIVIRICGGTGCRASGSLAVRDELVK
VLKREGFANVDVNLSSDCLENTSEVHVKMTGCQGFCAQGPLMTIEPLGVF
YVGVKPEDVEEIVEKSIKKNEIIERLLYHDPATGKTYVKRDENPFYAKQT
RLVLKHCGTVDPASVYDYIAEGGYSAIAKALTMDRKQIIDEVIKSGLRGR
GGAGFPTGEKWLGAYKNQSPKKYIICNGDEGDPGAFMDRSVMEGDPHKVI
EGMMIGAYAIGSDEGYIYVRAEYPLAVQMLRKAIEECEKLGLLGDNILGT
GFSFRLHVREGAGAFVCGESTALTYSIEGKRGMPRVRPPRTNECGLWEMP
TVLNNVETFACIPEIILNGGEWFASIGTPTSTGTKIFALSGKVNRTGLVE
VPMGLKLRELIFDIGGGIANNKKFKAVQLGGPSGGCVPESQLDLPIDFDS
LSKAGAIMGSGGVVVVDEDTCMVDFAKFFTNFIVEESCGKCIPCREGNKK
MLEILERITEGKGKEGDIELLEELGDVIISASLCGLGKTAPNPVLSTIKH
FRDEYEAHIRDKKCPAGACQALAAYKIDPGKCIGCGKCVKVCPVGAISGE
KKKPHVIDQSKCIKCGACAENCPKGAIYKG
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 chain8bew Chain B Residue 704 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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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)
C31 G33 C36 C82 Q83 F85 C86
Binding residue
(residue number reindexed from 1)
C31 G33 C36 C82 Q83 F85 C86
Annotation score1
Enzymatic activity
Enzyme Commision number 1.12.1.3: hydrogen dehydrogenase (NADP(+)).
Gene Ontology
Molecular Function
GO:0008137 NADH dehydrogenase (ubiquinone) activity
GO:0010181 FMN binding
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
GO:0050583 hydrogen dehydrogenase (NADP+) activity
GO:0051539 4 iron, 4 sulfur cluster binding
Biological Process
GO:1902600 proton transmembrane transport

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Molecular Function

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Biological Process
External links
PDB RCSB:8bew, PDBe:8bew, PDBj:8bew
PDBsum8bew
PubMed36811855
UniProtA0A097ATG4

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