Structure of PDB 7w5t Chain A Binding Site BS02

Receptor Information
>7w5t Chain A (length=289) Species: 1676613 (Actinomadura sp. ATCC 39365) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DVPLMELSGRAPVVRLHDIEADMAAATDAIRSQLTGWGFMAAEVPGIGER
VEAMMNEFAAACRATGPSLSDYAYDVVPQLAVGGTHGFFPYDPKEFIHVS
GAMIGDQPPGAGDVLRAFPAFGTRAAEVFDIAFRLISLFGEVVRGMMPPG
TPELDLSHDATNLRVIHYRDVGDREVLAHEHSGIQMLGLQLPPSDQGLQY
VLHDGTWVEPVIAGTDVVLCNIGRMLTSASDGRFRPSTHRVHTKPMPAGY
ERLSSVLFAYPQHKARQWKMVDGELMSLNATWGDFIDSR
Ligand information
Ligand IDAKG
InChIInChI=1S/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10)
InChIKeyKPGXRSRHYNQIFN-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)C(=O)CCC(=O)O
OpenEye OEToolkits 1.7.6C(CC(=O)O)C(=O)C(=O)O
CACTVS 3.385OC(=O)CCC(=O)C(O)=O
FormulaC5 H6 O5
Name2-OXOGLUTARIC ACID
ChEMBLCHEMBL1686
DrugBankDB08845
ZINCZINC000001532519
PDB chain7w5t Chain A Residue 404 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7w5t Structural and Functional Insights into a Nonheme Iron- and alpha-Ketoglutarate-Dependent Halogenase That Catalyzes Chlorination of Nucleotide Substrates.
Resolution1.74 Å
Binding residue
(original residue number in PDB)		R177 I179 Y181 H194 H252 V254 R265 S267
Binding residue
(residue number reindexed from 1)		R164 I166 Y168 H181 H239 V241 R252 S254
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:7w5t, PDBe:7w5t, PDBj:7w5t
PDBsum7w5t
PubMed35435717
UniProtA0A1U8X168

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