Structure of PDB 4x85 Chain A Binding Site BS01

Receptor Information

>4x85 Chain A (length=391) Species: 646309 (Geobacillus stearothermophilus T6)

RANDAPIVLLHGFTGWGREEMFGFKYWGGVRGDIEQWLNDNGYRTYTLAV
GPLSSNWDRACEAYAQLVGGTVDYGAAHAAKYGHARFGRTYPGLLPELKR
GGRIHIIAHSQGGQTARMLVSLLENGSQEEREYAKAHNVSLSPLFEGGHH
FVLSVTTIATPHDGTTLVNMVDFTDRFFDLQKAVLKAAAVASNVPYTSQV
YDFKLDQWGLRRQPGESFDQYFERLKRSPVWTSTDTARYDLSVPGAEKLN
QWVKASPNTYYLSFTTERTYRGALTGNYYPELGMNAFSAVVCAPFLGSYR
NATLGIDDRWLENDGIVNAFSMNGPKRGSTDRIVPYDGTIKKGVWNDMGT
YNVDHLEVIGVDPNPLFDIWAFYLRLAEQLASLQPHHHHHH

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: 4x85 Chain A Residue 401

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4x85 Structural insights into methanol-stable variants of lipase T6 from Geobacillus stearothermophilus.
• Resolution: 2.192 Å
• Binding residue (original residue number in PDB): D62 H82 H88 D239
• Binding residue (residue number reindexed from 1): D58 H78 H84 D235
• 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:4x85, PDBe:4x85, PDBj:4x85
• PDBsum: 4x85
• PubMed: 26026940
• UniProt: Q93A71