Structure of PDB 8ji7 Chain A Binding Site BS01

Receptor Information
>8ji7 Chain A (length=230) Species: 2712845 (Aetokthonos hydrillicola Thurmond2011) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKAILQLILEKRQEFEKLPCFEFVRDETISPEERLILYPCIAAFALNFRD
LNRYDYRDDSSDYYQKIINIHTQEDAKHWEWFLNDLELLGFDKTMRFSEA
LRFVWSDDLLHTRRLCHNIAVLSHDLEPVMKMVVIEAMETAGLVIFHALA
KPGESIAKATRRKYLYVADSHVEVETGHITILEQTQLSSEQEEKAKEIVN
KVFQWSTNLIGEFERYVKAHRSEKAQPTAA
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 chain8ji7 Chain A Residue 301 [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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PDB8ji7 The structural and functional investigation into an unusual nitrile synthase.
Resolution1.61 Å
Binding residue
(original residue number in PDB)		H79 H172 E176
Binding residue
(residue number reindexed from 1)		H78 H171 E175
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:8ji7, PDBe:8ji7, PDBj:8ji7
PDBsum8ji7
PubMed37973794
UniProtA0A861B387

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