Structure of PDB 3a70 Chain C Binding Site BS08

Receptor Information

>3a70 Chain C (length=616) Species: 91465 (Pseudomonas sp. MIS38)

GVYDYKNFGTADSKALFSDAMAITLYSYHNLDNGFAAGYQHNGFGLGLPA
TLVTALLGGTDSQGVIPGIPWNPDSEKLALDAVKKAGWTPITASQLGYDG
KTDARGTFFGEKAGYTTAQVEILGKYDAQGHLTEIGIAFRGTSGPRENLI
LDSIGDVINDLLAAFGPKDYAKNYVGEAFGNLLNDVVAFAKANGLSGKDV
LVSGHSLGGLAVNSMADLSGGKWGGFFADSNYIAYASPTQSSTDKVLNVG
YENDPVFRALDGSTFTGASVGVHDAPKESATDNIVSFNDHYASTAWNLLP
FSILNIPTWISHLPTAYGDGMNRIIESKFYDLTSKDSTIIVANLSDPARA
NTWVQDLNRNAETHKGSTFIIGSDSNDLIQGGSGNDYLEGRAGNDTFRDG
GGYNVILGGAGNNTLDLQKSVNTFDFANDGAGNLYVRDANGGISITRDIG
SIVTKEPGFLWGLFKDDVTHSVTASGLKVGSNVTQYDASVKGTNGADTLK
AHAGGDWLFGLDGNDHLIGGVGNDVFVGGAGNDLMESGGGADTFLFNGAF
GQDRVVGFTSNDKLVFLGVQGVLPNDDFRAHASMVGQDTVLKFGGDSVTL
VGVALNSLSADGIVIA

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: 3a70 Chain C Residue 625

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3a70 X-ray Crystallographic and MD Simulation Studies on the Mechanism of Interfacial Activation of a Family I.3 Lipase with Two Lids
• Resolution: 2.15 Å
• Binding residue (original residue number in PDB): G521 G523 D525 S538 G540 D543
• Binding residue (residue number reindexed from 1): G520 G522 D524 S537 G539 D542
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 3.1.1.3: triacylglycerol lipase.

Gene Ontology

Molecular Function

• GO:0005509 calcium ion binding
• GO:0046872 metal ion binding

Cellular Component

• GO:0005576 extracellular region

External links

• PDB: RCSB:3a70, PDBe:3a70, PDBj:3a70
• PDBsum: 3a70
• PubMed: 20438738
• UniProt: Q9RBY1