Structure of PDB 6a12 Chain A Binding Site BS01

Receptor Information

>6a12 Chain A (length=386) Species: 33941 (Geobacillus thermoleovorans)

SRANDAPIVLLHGFTGWGREEMFGFKYWGGVRGDIEQWLNDNGYRTYTLA
VGPLSSNWDRACEAYAQLVGGTVDYGAAHAAKHGHARFGRTYPGLLPELK
RGGRIHIIAHSQGGQTARMLVSLLENGSQEEREYAKAHNVSLSPLFEGGH
HFVLSVTTIATPHDGTTLVNMVDFTDRFFDLQKAVLEAAAVASNAPYTSE
IYDFKLDQWGLRREPGESFDHYFERLKRSPVWTSTDTARYDLSVPGAETL
NRWVKASPNTYYLSFSTERTYRGALTGNYYPELGMNAFSAIVCAPFLGSY
RNAALGIDSHWLENDGIVNTISMNGPKRGSSDRIVPYDGALKKGVWNDMG
TYNVDHLEIIGVDPNPSFDIRAFYLRLAEQLASLRP

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: 6a12 Chain A Residue 401

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6a12 X-ray structure and characterization of a thermostable lipase from Geobacillus thermoleovorans.
• Resolution: 2.145 Å
• Binding residue (original residue number in PDB): G286 E360 D365 P366
• Binding residue (residue number reindexed from 1): G284 E358 D363 P364
• 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:6a12, PDBe:6a12, PDBj:6a12
• PDBsum: 6a12
• PubMed: 30471860
• UniProt: Q8L1V2