Structure of PDB 1tcb Chain B Binding Site BS01

Receptor Information

>1tcb Chain B (length=317)

LPSGSDPAFSQPKSVLDAGLTCQGASPSSVSKPILLVPGTGTTGPQSFDS
NWIPLSTQLGYTPCWISPPPFMLNDTQVNTEYMVNAITALYAGSGNNKLP
VLTWSQGGLVAQWGLTFFPSIRSKVDRLMAFAPDYKGTVLAGPLDALAVS
APSVWQQTTGSALTTALRNAGGLTQIVPTTNLYSATDEIVQPQVSNSPLD
SSYLFNGKNVQAQAVCGPLFVIDHAGSLTSQFSYVVGRSALRSTTGQARS
ADYGITDCNPLPANDLTPEQKVAAAALLAPAAAAIVAGPKQNCEPDLMPY
ARPFAVGKRTCSGIVTP

Ligand information

• Ligand ID: BOG
• InChI: InChI=1S/C14H28O6/c1-2-3-4-5-6-7-8-19-14-13(18)12(17)11(16)10(9-15)20-14/h10-18H,2-9H2,1H3/t10-,11-,12+,13-,14-/m1/s1
• InChIKey: HEGSGKPQLMEBJL-RKQHYHRCSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: CCCCCCCCOC1C(C(C(C(O1)CO)O)O)O
  CACTVS 3.341: CCCCCCCCO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O
  OpenEye OEToolkits 1.5.0: CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
  CACTVS 3.341: CCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
  ACDLabs 10.04: O(CCCCCCCC)C1OC(C(O)C(O)C1O)CO
• Formula: C14 H28 O6
• Name: octyl beta-D-glucopyranoside;
  Beta-Octylglucoside;
  octyl beta-D-glucoside;
  octyl D-glucoside;
  octyl glucoside
• ChEMBL: CHEMBL446037
• ZINC: ZINC000040165555
• PDB chain: 1tcb Chain B Residue 501

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1tcb The sequence, crystal structure determination and refinement of two crystal forms of lipase B from Candida antarctica.
• Resolution: 2.1 Å
• Binding residue (original residue number in PDB): D223 A275
• Binding residue (residue number reindexed from 1): D223 A275
• 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:1tcb, PDBe:1tcb, PDBj:1tcb
• PDBsum: 1tcb
• PubMed: 8087556
• UniProt: P41365|LIPB_PSEA2 Lipase B