Structure of PDB 3umj Chain A Binding Site BS02

Receptor Information

>3umj Chain A (length=386) Species: 213419 (Geobacillus zalihae)

LRANDAPIVLLHGFTGWGREEMFGFKYWGGVRGDIEQWLNDNGYRTYTLA
VGPLSSNWDRACEAYAQLVGGTVDYGAAHAAKHGHARFGRTYPGLLPELK
RGGRIHIIAHSQGGQTARMLVSLLENGSQEEREYAKAHNVSLSPLFEGGH
HFVLSVTTIATPHDGTTLVNMVDFTDRFFDLQKAVLEAAAVASNVPYTSQ
VYDFKLDQWGLRRQPGESFDHYFERLKRSPVWTSTDTARYDLSVSGAEKL
NQWVQASPNTYYLSFSTERTYRGALTGNHYPELGMNAFSAVVCAPFLGSY
RNPTLGIDERWLENDGIVNTVSMNGPKRGSSDRIVPYDGTLKKGVWNDMG
TYNVDHLEIIGVDPNPSFDIRAFYLRLAEQLASLQP

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: 3umj Chain A Residue 902

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3umj Improvement of Thermal Stability via Outer-Loop Ion Pair Interaction of Mutated T1 Lipase from Geobacillus zalihae Strain T1
• Resolution: 2.1 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:3umj, PDBe:3umj, PDBj:3umj
• PDBsum: 3umj
• PubMed: 22312296
• UniProt: Q842J9