Structure of PDB 1lbt Chain A Binding Site BS01

Receptor Information

>1lbt Chain A (length=317)

LPSGSDPAFSQPKSVLDAGLTCQGASPSSVSKPILLVPGTGTTGPQSFDS
NWIPLSTQLGYTPCWISPPPFMLNDTQVNTEYMVNAITALYAGSGNNKLP
VLTWSQGGLVAQWGLTFFPSIRSKVDRLMAFAPDYKGTVLAGPLDALAVS
APSVWQQTTGSALTTALRNAGGLTQIVPTTNLYSATDEIVQPQVSNSPLD
SSYLFNGKNVQAQAVCGPLFVIDHAGSLTSQFSYVVGRSALRSTTGQARS
ADYGITDCNPLPANDLTPEQKVAAAALLAPAAAAIVAGPKQNCEPDLMPY
ARPFAVGKRTCSGIVTP

Ligand information

• Ligand ID: T80
• InChI: InChI=1S/C29H58O7/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-29(30)36-28-27-35-26-25-34-24-23-33-22-21-32-20-19-31-2/h3-28H2,1-2H3
• InChIKey: AKUODCGCIHXMIY-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04: O=C(OCCOCCOCCOCCOCCOC)CCCCCCCCCCCCCCCCC
  CACTVS 3.341
  OpenEye OEToolkits 1.5.0: CCCCCCCCCCCCCCCCCC(=O)OCCOCCOCCOCCOCCOC
• Formula: C29 H58 O7
• Name: METHYLPENTA(OXYETHYL) HEPTADECANOATE
• ZINC: ZINC000015657542
• PDB chain: 1lbt Chain A Residue 900

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1lbt Crystallographic and molecular-modeling studies of lipase B from Candida antarctica reveal a stereospecificity pocket for secondary alcohols.
• Resolution: 2.5 Å
• Binding residue (original residue number in PDB): T40 S105 Q106 L140 Q157 E188 I189 H224 A282 I285
• Binding residue (residue number reindexed from 1): T40 S105 Q106 L140 Q157 E188 I189 H224 A282 I285
• 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

Biological Process

• GO:0016042 lipid catabolic process

External links

• PDB: RCSB:1lbt, PDBe:1lbt, PDBj:1lbt
• PDBsum: 1lbt
• PubMed: 8527460
• UniProt: P41365|LIPB_PSEA2 Lipase B