Structure of PDB 2qqd Chain D Binding Site BS01

Receptor Information
>2qqd Chain D (length=50) Species: 2190 (Methanocaldococcus jannaschii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AEINPLHAYFKLPNTVSLVAGSSEGETPLNAFDGALLNAGIGNVALIRIS
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 chain2qqd Chain E Residue 53 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2qqd Structures of the N47A and E109Q mutant proteins of pyruvoyl-dependent arginine decarboxylase from Methanococcus jannaschii.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		I51 S52
Binding residue
(residue number reindexed from 1)		I49 S50
Annotation score1
Enzymatic activity
Enzyme Commision number 4.1.1.19: arginine decarboxylase.
Gene Ontology
Molecular Function
GO:0008792 arginine decarboxylase activity
GO:0016831 carboxy-lyase activity
Biological Process
GO:0006520 amino acid metabolic process
GO:0006527 arginine catabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:2qqd, PDBe:2qqd, PDBj:2qqd
PDBsum2qqd
PubMed18391404
UniProtQ57764|PDAD_METJA Pyruvoyl-dependent arginine decarboxylase (Gene Name=pdaD)

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