Structure of PDB 7w5v Chain A Binding Site BS01

Receptor Information
>7w5v 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 IDPO4
InChIInChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
InChIKeyNBIIXXVUZAFLBC-UHFFFAOYSA-K
SMILES
SoftwareSMILES
CACTVS 3.341[O-][P]([O-])([O-])=O
ACDLabs 10.04[O-]P([O-])([O-])=O
OpenEye OEToolkits 1.5.0[O-]P(=O)([O-])[O-]
FormulaO4 P
NamePHOSPHATE ION
ChEMBL
DrugBankDB14523
ZINC
PDB chain7w5v 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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PDB7w5v Structural and Functional Insights into a Nonheme Iron- and alpha-Ketoglutarate-Dependent Halogenase That Catalyzes Chlorination of Nucleotide Substrates.
Resolution1.81 Å
Binding residue
(original residue number in PDB)		K107 Y181 H194
Binding residue
(residue number reindexed from 1)		K107 Y181 H194
Annotation score3
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:7w5v, PDBe:7w5v, PDBj:7w5v
PDBsum7w5v
PubMed35435717
UniProtA0A1U8X168

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