Structure of PDB 8ji3 Chain A Binding Site BS02

Receptor Information
>8ji3 Chain A (length=231) Species: 2712845 (Aetokthonos hydrillicola Thurmond2011) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GMKAILQLILEKRQEFEKLPCFEFVRDETISPEERLILYPCIAAFALNFR
DLNRYDYRDDNSSDYYQKIINIHTQEDAKHWEWFLNDLELLGFDKTMRFS
EALRFVWSDDLLHTRRLCHNIAVLSHDLEPVMKMVVIEAMETAGLVIFHA
LAKPGESIAKATRRKYLYVADSHVEVETGHTILEQTQLSSEQEEKAKEIV
NKVFQWSTNLIGEFERYVKAHRSEKAQPTAA
Ligand information
Ligand IDFE2
InChIInChI=1S/Fe/q+2
InChIKeyCWYNVVGOOAEACU-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Fe+2]
CACTVS 3.341[Fe++]
FormulaFe
NameFE (II) ION
ChEMBL
DrugBankDB14510
ZINC
PDB chain8ji3 Chain A Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8ji3 The structural and functional investigation into an unusual nitrile synthase.
Resolution1.78 Å
Binding residue
(original residue number in PDB)		D76 E140 E176 H179
Binding residue
(residue number reindexed from 1)		D77 E141 E177 H180
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:8ji3, PDBe:8ji3, PDBj:8ji3
PDBsum8ji3
PubMed37973794
UniProtA0A861B387

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