Structure of PDB 5hv4 Chain A Binding Site BS03

Receptor Information
>5hv4 Chain A (length=193) Species: 1392 (Bacillus anthracis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TNNNQIEQTIFDHKGNVIKTEDREIQIISKFEEPLIVVLGNVLSDEECDE
LIELSKSKLAAFLDDNELTAKIEKRISSIMNVPASHGEGLHILNYEVDQQ
YKAHYDYFAEHSRSAANNRISTLVMYLNDVEEGGETFFPKLNLSVHPRKG
MAVYFEYFYQDQSLNELTLHGGAPVTKGEKWIATQWVRRGTYK
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 chain5hv4 Chain A Residue 306 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5hv4 Structural analysis of cofactor binding for a prolyl 4-hydroxylase from the pathogenic bacterium Bacillus anthracis.
Resolution2.35 Å
Binding residue
(original residue number in PDB)		T159 G195 K203 I205 T207
Binding residue
(residue number reindexed from 1)		T136 G172 K180 I182 T184
Annotation score5
Binding affinityMOAD: 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:5hv4, PDBe:5hv4, PDBj:5hv4
PDBsum5hv4
PubMed27139630
UniProtA0A4Y1WAP5

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