Structure of PDB 4lip Chain D Binding Site BS02

Receptor Information

>4lip Chain D (length=319) Species: 292 (Burkholderia cepacia)

DNYAATRYPIILVHGLTGTDKYAGVLEYWYGIQEDLQQRGATVYVANLSG
FQSDDGPNGRGEQLLAYVKTVLAATGATKVNLVGHSQGGLTSRYVAAVAP
DLVASVTTIGTPHRGSEFADFVQGVLAYDPTGLSSTVIAAFVNVFGILTS
SSNNTNQDALAALKTLTTAQAATYNQNYPSAGLGAPGSCQTGAPTETVGG
NTHLLYSWAGTAIQPTISVFGVTGATDTSTIPLVDPANALDPSTLALFGT
GTVMVNRGSGQNDGVVSKCSALYGQVLSTSYKWNHLDEINQLLGVRGANA
EDPVAVIRTHANRLKLAGV

Ligand information

• Ligand ID: CCP
• InChI: InChI=1S/C4H11O3P/c1-2-3-4-8(5,6)7/h2-4H2,1H3,(H2,5,6,7)
• InChIKey: UOKRBSXOBUKDGE-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04: O=P(O)(O)CCCC
  OpenEye OEToolkits 1.5.0: CCCCP(=O)(O)O
  CACTVS 3.341: CCCC[P](O)(O)=O
• Formula: C4 H11 O3 P
• Name: BUTYLPHOSPHONATE
• DrugBank: DB03999
• ZINC: ZINC000029786428
• PDB chain: 4lip Chain D Residue 950

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4lip Structural basis of the chiral selectivity of Pseudomonas cepacia lipase
• Resolution: 1.75 Å
• Binding residue (original residue number in PDB): G16 L17 S87 Q88 S117 H286
• Binding residue (residue number reindexed from 1): G15 L16 S86 Q87 S116 H285
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 3.1.1.3: triacylglycerol lipase.

Gene Ontology

Molecular Function

• GO:0004806 triacylglycerol lipase activity
• GO:0016787 hydrolase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0016042 lipid catabolic process

Cellular Component

• GO:0005576 extracellular region

External links

• PDB: RCSB:4lip, PDBe:4lip, PDBj:4lip
• PDBsum: 4lip
• PubMed: 9660188
• UniProt: P22088|LIP_BURCE Triacylglycerol lipase (Gene Name=lip)