Structure of PDB 1dyq Chain A Binding Site BS01

Receptor Information
>1dyq Chain A (length=228) Species: 1280 (Staphylococcus aureus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EINEKDLRKKSELQGTALGNLKQIYYYNEKAKTENKESHDQFRQHTILFK
GFFTDHSWYNDLLVRFDSKDIVDKYKGKKVDLYGAYAGYQCAGGTPNKTA
CMYGGVTLHDNNRLTEEKKVPINLWLDGKQNTVPLETVKTNKKNVTVQEL
DLQARRYLQEKYNLYNSDVFDGKVQRGLIVFHTSTEPSVNYDLFGAQGQY
SNTLLRIYRDNKTINSENMHIDIYLYTS
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 chain1dyq Chain A Residue 234 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1dyq Structural Basis for Abrogated Binding between Staphylococcal Enterotoxin a Superantigen Vaccine and Mhc-II?
Resolution1.5 Å
Binding residue
(original residue number in PDB)		H187 H225 D227
Binding residue
(residue number reindexed from 1)		H182 H220 D222
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0042289 MHC class II protein binding
GO:0046872 metal ion binding
GO:0090729 toxin activity
Biological Process
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:1dyq, PDBe:1dyq, PDBj:1dyq
PDBsum1dyq
PubMed11847286
UniProtP0A0L2|ETXA_STAAU Enterotoxin type A (Gene Name=entA)

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