Structure of PDB 2qua Chain A Binding Site BS07

Receptor Information
>2qua Chain A (length=615) Species: 615 (Serratia marcescens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SHMGIFSYKDLDENASKALFSDALAISTYAYHNIDNGFDEGYHQTGFGLG
LPLTLITALIGSTQSQGGLPGLPWNPDSEQAAQEAVNNAGWSVISATQLG
YAGKTDARGTYYGETAGYTTAQAEVLGKYDSEGNLTAIGISFRGTSGPRE
SLIGDTIGDVINDLLAGFGPKGYADGYTLKAFGNLLGDVAKFAQAHGLSG
EDVVVSGHSLGGLAVNSMAAQSDANWGGFYAQSNYVAFASPTQYEAGGKV
INIGYENDPVFRALDGTSLTLPSLGVHDAPHTSATNNIVNFNDHYASDAW
NLLPFSILNIPTWLSHLPFFYQDGLMRVLNSEFYSLTDKDSTIIVSNLSN
VTRGNTWVEDLNRNAETHSGPTFIIGSDGNDLIKGGKGNDYLEGRDGDDI
FRDAGGYNLIAGGKGHNIFDTQQALKNTEVAYDGNTLYLRDAKGGITLAD
DISTLRSKETSWLIFNKEVDHQVTAAGLKSDSGLKAYAAATGGDGDDVLQ
ARSHDAWLFGNAGNDTLIGHAGGNLTFVGGSGDDILKGVGNGNTFLFSGD
FGRDQLYGFNASDKLVFIGTEGASGNIRDYATQQNDDLVLAFGHSQVTLI
GVSLDHISTDQVVLA
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain2qua Chain A Residue 620 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB2qua A calcium-gated lid and a large beta-roll sandwich are revealed by the crystal structure of extracellular lipase from Serratia marcescens.
Resolution1.95 Å
Binding residue
(original residue number in PDB)		E254 D276 N284 N285
Binding residue
(residue number reindexed from 1)		E256 D278 N286 N287
Annotation score1
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

View graph for
Molecular Function
External links
PDB RCSB:2qua, PDBe:2qua, PDBj:2qua
PDBsum2qua
PubMed17728256
UniProtQ59933

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