Structure of PDB 2wxu Chain A Binding Site BS04

Receptor Information
>2wxu Chain A (length=361) Species: 1502 (Clostridium perfringens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
WDGKIDGTGTHAMIVTQGVSILENDLSKNEPESVRKNLEILKENMHELQL
GSTYPDYDKNAYDLYQDHFWDPDIWYLAYSIPDTGESQIRKFSALARYEW
QRGNYKQATFYLGEAMHYFGDIDTPYHPANVTAVDSAGHVKFETFAEERK
EQYKINTAGCKTNEAFYTDILKNKDFNAWSKEYARGFAKTGKSIYYSHAS
MSHSWDDWDYAAKVTLANSQKGTAGYIYRFLHDVSEGNDPSVGKNVKELV
AYISTSGEKDAGTDDYMYFGIKTKDGKTQEWEMDNPGNDFMTGSKDTYTF
KLKDENLKIDDIQNMWIRKRKYTAFPDAYKPENIKIIANGKVVVDKDINE
WISGNSTYNIK
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 chain2wxu Chain A Residue 1381 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2wxu Comparison of a Nontoxic Variant of Clostridium Perfringens [Alpha]-Toxin with the Toxic Wild-Type Strain
Resolution1.8 Å
Binding residue
(original residue number in PDB)		D293 N294 G296 D298
Binding residue
(residue number reindexed from 1)		D284 N285 G287 D289
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H11 D56 H68 H126 D130 H136 H148 E152
Catalytic site (residue number reindexed from 1) H11 D56 H68 H117 D121 H127 H139 E143
Enzyme Commision number 3.1.4.3: phospholipase C.
Gene Ontology
Molecular Function
GO:0004629 phospholipase C activity
GO:0008270 zinc ion binding
GO:0016787 hydrolase activity
GO:0016788 hydrolase activity, acting on ester bonds
GO:0034480 phosphatidylcholine phospholipase C activity
GO:0046872 metal ion binding
GO:0090729 toxin activity
Biological Process
GO:0031640 killing of cells of another organism
GO:0035821 modulation of process of another organism
GO:0044179 hemolysis in another organism
Cellular Component
GO:0005576 extracellular region

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2wxu, PDBe:2wxu, PDBj:2wxu
PDBsum2wxu
PubMed20944240
UniProtQ0TV31|PHLC_CLOP1 Phospholipase C (Gene Name=plc)

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