Structure of PDB 8sm7 Chain A Binding Site BS01

Receptor Information
>8sm7 Chain A (length=347) Species: 481743 (Paenibacillus sp. Y412MC10) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KIIDVDVHNEQDDRALLPYLQEPWRSRVAASGIGYAGSGYYSPIGVMKKD
SIPPGGGKAGSDPDYMIKQLIEGYNLDYAVLTGVVYNISSTHDPDYAAAI
CSAYNDYLIAEWLGKHKAFKGALAVATQDPLLAAREIDRIGGHPDIVEVM
ISSAARSPLGQRHYHPIYEAAARNGLPVAIHPGAEGGGSSTAPTAAGYPT
RYIEWHTCLSQMFMAHLVSMVCEGVFVKYPNLKVVLVEGGVAWLPGLMWR
LDKNYKALRATVPWLTRMPSEYIRDHCYLSTQPIEEPDNPQHLIDLFNMI
DAENMLLYSSDYPHWDFDSPGHVLRGLKPEARRKIFYENAKQLYRLD
Ligand information
Ligand IDFE
InChIInChI=1S/Fe/q+3
InChIKeyVTLYFUHAOXGGBS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0		[Fe+3]
FormulaFe
NameFE (III) ION
ChEMBL
DrugBankDB13949
ZINC
PDB chain8sm7 Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8sm7 Bioinformatic Discovery of a Cambialistic Monooxygenase.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		D10 H12 H185 E242 D315
Binding residue
(residue number reindexed from 1)		D6 H8 H181 E238 D311
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0016787 hydrolase activity
GO:0016829 lyase activity
GO:0016831 carboxy-lyase activity
GO:0046872 metal ion binding
Biological Process
GO:0019748 secondary metabolic process
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8sm7, PDBe:8sm7, PDBj:8sm7
PDBsum8sm7
PubMed38198693
UniProtD3EI84

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