Structure of PDB 7ezz Chain B Binding Site BS01

Receptor Information
>7ezz Chain B (length=256) Species: 90370 (Salmonella enterica subsp. enterica serovar Typhi) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AVRGSIIANMLQEHNPFTLYPYDTNYLIYTNTSDLNKEAISTYNWSENAR
KDEVKFQLSLAFPLWRGILGPNSVLGASYTQKSWWQLSNSKESSPFRETN
YEPQLFLGFATDYRFAGWTLRDVEMGYNHDSNGRSDPTSRSWNRLYTRLM
AENGNWLVEVKPWYVIGSTDDNPDITKYMGYYQLKIGYHLGEAVLSAKGQ
YNWNTGYGGAEVGLSYPVTKHVRLYTQVYSGYGESLIDYNFNQTRVGVGV
MLNDIF
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 chain7ezz Chain B Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7ezz Crystal structure of Salmonella typhi outer membrane phospholipase (OMPLA) dimer with bound calcium
Resolution2.76 Å
Binding residue
(original residue number in PDB)		R167 S172
Binding residue
(residue number reindexed from 1)		R134 S139
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.1.32: phospholipase A1.
3.1.1.4: phospholipase A2.
Gene Ontology
Molecular Function
GO:0004620 phospholipase activity
GO:0004623 phospholipase A2 activity
GO:0005509 calcium ion binding
GO:0008970 phospholipase A1 activity
GO:0016787 hydrolase activity
GO:0046872 metal ion binding
GO:0052739 phosphatidylserine 1-acylhydrolase activity
Biological Process
GO:0006629 lipid metabolic process
GO:0016042 lipid catabolic process
Cellular Component
GO:0009279 cell outer membrane
GO:0016020 membrane

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Biological Process
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Cellular Component
External links
PDB RCSB:7ezz, PDBe:7ezz, PDBj:7ezz
PDBsum7ezz
PubMed
UniProtP0A232|PA1_SALTI Phospholipase A1 (Gene Name=pldA)

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