Structure of PDB 5hv0 Chain A Binding Site BS03

Receptor Information
>5hv0 Chain A (length=206) Species: 1392 (Bacillus anthracis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NQIKEQTIFDHKGNVIKTEDREIQIISKFEEPLIVVLGNVLSDEECDELI
ELSKSKLARSKVGSSNDIRTSSGAFLDDNELTAKIEKRISSIMNVPASHG
EGLHILNYEVDQQYKAHYDYFAEHSRSAANNRISTLVMYLNDVEEGGETF
FPKLNLSVHPRKGMAVYFEYFYQDQSLNELTLHGGAPVTKGEKWIATQWV
RRGTYK
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 chain5hv0 Chain A Residue 310 [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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PDB5hv0 Structural analysis of cofactor binding for a prolyl 4-hydroxylase from the pathogenic bacterium Bacillus anthracis.
Resolution1.63 Å
Binding residue
(original residue number in PDB)		Y118 H127 T159 H193 K203 I205 T207 W209
Binding residue
(residue number reindexed from 1)		Y108 H117 T149 H183 K193 I195 T197 W199
Annotation score5
Binding affinityMOAD: Kd=1.1uM
PDBbind-CN: -logKd/Ki=5.96,Kd=1.1uM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003674 molecular_function
GO:0004656 procollagen-proline 4-dioxygenase activity
GO:0005506 iron ion binding
GO:0016705 oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen
GO:0031418 L-ascorbic acid binding
GO:0046872 metal ion binding
GO:0051213 dioxygenase activity
Biological Process
GO:0008150 biological_process
GO:0018401 peptidyl-proline hydroxylation to 4-hydroxy-L-proline

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:5hv0, PDBe:5hv0, PDBj:5hv0
PDBsum5hv0
PubMed27139630
UniProtA0A4Y1WAP5

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