Structure of PDB 7w5s Chain A Binding Site BS01

Receptor Information
>7w5s Chain A (length=302) Species: 1676613 (Actinomadura sp. ATCC 39365) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MDVPLMELSGRAPVVRLHDIEADMAAATDAIRSQLTGWGFMAAEVPGIGE
RVEAMMNEFAAACRATGPSLSDYAYDVVPQLAVGGTHGFFPYNSEIPRLA
NGVPDPKEFIHVSGAMIGDQPPGAGDVLRAFPAFGTRAAEVFDIAFRLIS
LFGEVVRGMMPPGTPELDLSHDATNLRVIHYRDVGDREVLAHEHSGIQML
GLQLPPSDQGLQYVLHDGTWVEPVIAGTDVVLCNIGRMLTSASDGRFRPS
THRVHTKPMPAGYERLSSVLFAYPQHKARQWKMVDGELMSLNATWGDFID
SR
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 chain7w5s 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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PDB7w5s Structural and Functional Insights into a Nonheme Iron- and alpha-Ketoglutarate-Dependent Halogenase That Catalyzes Chlorination of Nucleotide Substrates.
Resolution1.76 Å
Binding residue
(original residue number in PDB)		H194 H252
Binding residue
(residue number reindexed from 1)		H194 H252
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:7w5s, PDBe:7w5s, PDBj:7w5s
PDBsum7w5s
PubMed35435717
UniProtA0A1U8X168

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