Structure of PDB 2qub Chain A Binding Site BS05

Receptor Information

>2qub Chain A (length=615) Species: 615 (Serratia marcescens)

SHMGIFSYKDLDENASKALFSDALAISTYAYHNIDNGFDEGYHQTGFGLG
LPLTLITALIGSTQSQGGLPGLPWNPDSEQAAQEAVNNAGWSVISATQLG
YAGKTDARGTYYGETAGYTTAQAEVLGKYDSEGNLTAIGISFRGTSGPRE
SLIGDTIGDVINDLLAGFGPKGYADGYTLKAFGNLLGDVAKFAQAHGLSG
EDVVVSGHSLGGLAVNSMAAQSDANWGGFYAQSNYVAFASPTQYEAGGKV
INIGYENDPVFRALDGTSLTLPSLGVHDAPHTSATNNIVNFNDHYASDAW
NLLPFSILNIPTWLSHLPFFYQDGLMRVLNSEFYSLTDKDSTIIVSNLSN
VTRGNTWVEDLNRNAETHSGPTFIIGSDGNDLIKGGKGNDYLEGRDGDDI
FRDAGGYNLIAGGKGHNIFDTQQALKNTEVAYDGNTLYLRDAKGGITLAD
DISTLRSKETSWLIFNKEVDHQVTAAGLKSDSGLKAYAAATGGDGDDVLQ
ARSHDAWLFGNAGNDTLIGHAGGNLTFVGGSGDDILKGVGNGNTFLFSGD
FGRDQLYGFNASDKLVFIGTEGASGNIRDYATQQNDDLVLAFGHSQVTLI
GVSLDHISTDQVVLA

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: 2qub Chain A Residue 618

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2qub A calcium-gated lid and a large beta-roll sandwich are revealed by the crystal structure of extracellular lipase from Serratia marcescens.
• Resolution: 1.8 Å
• Binding residue (original residue number in PDB): R393 D394 G395 D397 G410 K412 N415
• Binding residue (residue number reindexed from 1): R395 D396 G397 D399 G412 K414 N417
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 3.1.1.3: triacylglycerol lipase.

Gene Ontology

Molecular Function

• GO:0004806 triacylglycerol lipase activity
• GO:0005509 calcium ion binding
• GO:0016787 hydrolase activity
• GO:0046872 metal ion binding

External links

• PDB: RCSB:2qub, PDBe:2qub, PDBj:2qub
• PDBsum: 2qub
• PubMed: 17728256
• UniProt: Q59933