Structure of PDB 4x7b Chain A Binding Site BS02

Receptor Information

>4x7b Chain A (length=391) Species: 646309 (Geobacillus stearothermophilus T6)

RANDAPIVLLHGFTGWGREEMFGFKYWGGVRGDIEQWLNDNGYRTYTLAV
GPLSSNWDRACEAYAQLVGGTVDYGAAHAAKYGHARFGRTYPGLLPELKR
GGRIHIIAHSQGGQTARMLVSLLENGSQEEREYAKAHNVSLSPLFEGGHH
FVLSVTTIATPHDGTTLVNMVDFTDRFFDLQKAVLKAAAVASNVPYTSQV
YDFKLDQWGLRRQPGESFDQYFERLKRSPVWTSTDTARYDLSVPGAEKLN
QWVKASPNTYYLSFTTERTYRGALTGNYYPELGMNAFSAVVCAPFLGSYR
NATLGIDDRWLENDGIVNAFSMNGPKRGSTDRIVPYDGTIKKGVWNDMGT
YNVDHLEVIGVDPNPLFDIRAFYLRLAEQLASLQPHHHHHH

Ligand information

• Ligand ID: CA
• InChI: InChI=1S/Ca/q+2
• InChIKey: BHPQYMZQTOCNFJ-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Ca++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Ca+2]
• Formula: Ca
• Name: CALCIUM ION
• DrugBank: DB14577
• PDB chain: 4x7b Chain A Residue 402

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4x7b Structural insights into methanol-stable variants of lipase T6 from Geobacillus stearothermophilus.
• Resolution: 2.4 Å
• Binding residue (original residue number in PDB): G287 E361 D366 P367
• Binding residue (residue number reindexed from 1): G283 E357 D362 P363
• 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:4x7b, PDBe:4x7b, PDBj:4x7b
• PDBsum: 4x7b
• PubMed: 26026940
• UniProt: Q93A71