Structure of PDB 1gyg Chain B Binding Site BS01

Receptor Information
>1gyg Chain B (length=370) Species: 1502 (Clostridium perfringens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
WDGKIDGTGTHAMIVTQGVSILENDLSKNEPESVRKNLEILKENMHELQL
GSTYPDYDKNAYDLYQDHFWDPDTDNNFSKDNSWYLAYSIPDTGESQIRK
FSALARYEWQRGNYKQATFYLGEAMHYFGDIDTPYHPANVTAVDSAGHVK
FETFAEERKEQYKINTVGCKTNEDFYADILKNKDFNAWSKEYARGFAKTG
KSIYYSHASMSHSWDDWDYAAKVTLANSQKGTAGYIYRFLHDVSEGNDPS
VGKNVKELVAYISTSGEKDAGTDDYMYFGIKTKDGKTQEWEMDNPGNDFM
TGSKDTYTFKLKDENLKIDDIQNMWIRKRKYTAFPDAYKPENIKVIANGK
VVVDKDINEWISGNSTYNIK
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain1gyg Chain B Residue 1371 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1gyg Crystal Structure of the C. Perfringens Alpha-Toxin with the Active Site Closed by a Flexible Loop Region
Resolution1.9 Å
Binding residue
(original residue number in PDB)		D56 H68 H126 D130
Binding residue
(residue number reindexed from 1)		D56 H68 H126 D130
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 H126 D130 H136 H148 E152
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:0050429 calcium-dependent phospholipase C activity
GO:0090729 toxin activity
Biological Process
GO:0031640 killing of cells of another organism
GO:0035821 modulation of process of 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:1gyg, PDBe:1gyg, PDBj:1gyg
PDBsum1gyg
PubMed12051905
UniProtP0C216|PHLC1_CLOPE Phospholipase C (Gene Name=plc)

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