Structure of PDB 2wyc Chain A Binding Site BS01

Receptor Information

>2wyc Chain A (length=164) Species: 208964 (Pseudomonas aeruginosa PAO1)

TGLAADIRWTAYGVPHIRAKDERGLGYGIGYAYARDNACLLAEEIVTARG
ERARYFGSEGKSSAELDNLPSDIFYAWLNQPEALQAFWQAQTPAVRQLLE
GYAAGFNRFLREADGKTTSCLGQPWLRAIATDDLLRLTRRLLVEGGVGQF
ADALVAAAPPGAEK

Ligand information

• Ligand ID: 3LA
• InChI: InChI=1S/C12H22O3/c1-2-3-4-5-6-7-8-9-11(13)10-12(14)15/h2-10H2,1H3,(H,14,15)
• InChIKey: DZHSPYMHDVROSM-UHFFFAOYSA-N
• SMILES:
  OpenEye OEToolkits 1.6.1: CCCCCCCCCC(=O)CC(=O)O
  CACTVS 3.352: CCCCCCCCCC(=O)CC(O)=O
  ACDLabs 10.04: O=C(CCCCCCCCC)CC(=O)O
• Formula: C12 H22 O3
• Name: 3-OXODODECANOIC ACID;
  3-OXO-LAURIC ACID
• ZINC: ZINC000001529423
• PDB chain: 2wyc Chain B Residue 1551

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2wyc The Quorum-Quenching N-Acyl Homoserine Lactone Acylase Pvdq is an Ntn-Hydrolase with an Unusual Substrate-Binding Pocket
• Resolution: 1.9 Å
• Binding residue (original residue number in PDB): T143 L146
• Binding residue (residue number reindexed from 1): T138 L141
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 3.5.1.97: acyl-homoserine-lactone acylase.

Gene Ontology

Molecular Function

• GO:0016787 hydrolase activity
• GO:0016811 hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds, in linear amides

Biological Process

• GO:0017000 antibiotic biosynthetic process

External links

• PDB: RCSB:2wyc, PDBe:2wyc, PDBj:2wyc
• PDBsum: 2wyc
• PubMed: 20080736
• UniProt: Q9I194|PVDQ_PSEAE Acyl-homoserine lactone acylase PvdQ (Gene Name=pvdQ)