Structure of PDB 6j5y Chain A Binding Site BS01

Receptor Information
>6j5y Chain A (length=233) Species: 287 (Pseudomonas aeruginosa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NHLFAPEAPVSLTIHGSDQTFPVRRVYCVGRNYAAHAREMGFDPEREPPF
FFCKPADAVVPVAAGSTLELAYPSQTGNYHYEIELVAAIGKGGCDIPLEQ
AEEHVWGYAVGLDMTRRDLQMRMREMGRPWEIGKAFDRSAPIGPLYPASQ
VGHPRHAAISLQVDGEDRQRSDIDQLIWSVAETVSYLSRFFELRPGDLVF
TGTPEGVGAVERGERMLGAIDGLGELSVRVVLE
Ligand information
Ligand IDPYR
InChIInChI=1S/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6)
InChIKeyLCTONWCANYUPML-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CC(=O)C(O)=O
OpenEye OEToolkits 1.7.6CC(=O)C(=O)O
ACDLabs 12.01O=C(C(=O)O)C
FormulaC3 H4 O3
NamePYRUVIC ACID
ChEMBLCHEMBL1162144
DrugBankDB00119
ZINCZINC000001532517
PDB chain6j5y Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6j5y Sequence, structure and function-based classification of the broadly conserved FAH superfamily reveals two distinct fumarylpyruvate hydrolase subfamilies.
Resolution1.98 Å
Binding residue
(original residue number in PDB)		G31 R32 H37 F53 E83 K135 T204
Binding residue
(residue number reindexed from 1)		G30 R31 H36 F52 E82 K134 T203
Annotation score5
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0018773 acetylpyruvate hydrolase activity
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:6j5y, PDBe:6j5y, PDBj:6j5y
PDBsum6j5y
PubMed31657110
UniProtQ9I111

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