Structure of PDB 8a82 Chain A Binding Site BS01

Receptor Information
>8a82 Chain A (length=354) Species: 682634 (Serratia plymuthica 4Rx13) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MEKYDIQSETQRKAFDLMPHFFLDQEEQANFHFMMHMRLLLNAPEFMATF
ERDLFEKKLADLQAKCPDLANMDCADTFIKMKSYDFSNMDRHTFQHMIND
ASNPPIIAKGFLNDTKAVQQWTHEYLIEHYKDTEIIAVGYKKLKLEKILR
SQLDKDSKVSYYINNSAEIFNDYPDLIDEVGAEKILDLFYGHSANSFSQL
FVGNLRTWGTNWHQGNDISCALMISGVKRWYFIDPRLGYILRPFFDGANG
MSAKMDARLDMNFHKIHSPLYAYAPKFYVDLEPGDVIFFTKYWPHAVINT
TPLQIMANMRMTEVNLDTMTKGKDVPTLMPVYDNILNSDPSFIKFKFDIF
NNLG
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 chain8a82 Chain A Residue 901 [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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PDB8a82 Heterocomplex structure of a polyketide synthase component involved in modular backbone halogenation.
Resolution2.05 Å
Binding residue
(original residue number in PDB)		H220 H302
Binding residue
(residue number reindexed from 1)		H213 H295
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:8a82, PDBe:8a82, PDBj:8a82
PDBsum8a82
PubMed36917986
UniProtK7WEY7

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