Structure of PDB 1ku0 Chain A Binding Site BS01

Receptor Information

>1ku0 Chain A (length=388) Species: 1422 (Geobacillus stearothermophilus)

ASPRANDAPIVLLHGFTGWGREEMLGFKYWGGVRGDIEQWLNDNGYRTYT
LAVGPLSSNWDRACEAYAQLVGGTVDYGAAHAAKHGHARFGRTYPGLLPE
LKRGGRVHIIAHSQGGQTARMLVSLLENGSQEEREYAKEHNVSLSPLFEG
GHRFVLSVTTIATPHDGTTLVNMVDFTDRFFDLQKAVLEAAAVASNAPYT
SEIYDFKLDQWGLRREPGESFDHYFERLKRSPVWTSTDTARYDLSVPGAE
TLNRWVKASPNTYYLSFSTERTYRGALTGNYYPELGMNAFSAIVCAPFLG
SYRNAALGIDSHWLGNDGIVNTISMNGPKRGSNDRIVPYDGTLKKGVWND
MGTYNVDHLEVIGVDPNPSFNIRAFYLRLAEQLASLRP

Ligand information

• Ligand ID: ZN
• InChI: InChI=1S/Zn/q+2
• InChIKey: PTFCDOFLOPIGGS-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Zn++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Zn+2]
• Formula: Zn
• Name: ZINC ION
• ChEMBL: CHEMBL1236970
• DrugBank: DB14532
• PDB chain: 1ku0 Chain A Residue 701

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1ku0 Novel zinc-binding center and a temperature switch in the Bacillus stearothermophilus L1 lipase.
• Resolution: 2.0 Å
• Binding residue (original residue number in PDB): D61 H81 H87 D238
• Binding residue (residue number reindexed from 1): D61 H81 H87 D238
• 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:1ku0, PDBe:1ku0, PDBj:1ku0
• PDBsum: 1ku0
• PubMed: 11859083
• UniProt: O66015