Structure of PDB 8bew Chain E Binding Site BS03

Receptor Information
>8bew Chain E (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 IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain8bew Chain E Residue 703 [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)		C471 H558 C564 C569
Binding residue
(residue number reindexed from 1)		C471 H558 C564 C569
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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