Structure of PDB 1i4g Chain A Binding Site BS01

Receptor Information
>1i4g Chain A (length=224) Species: 1280 (Staphylococcus aureus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KDLRKKSELQGTALGNLKQIYYYNEKAKTENKESHDQFLQHTILFKGFFT
DHSWYNDLLVDFDSKDIVDKYKGKKVDLYGAYYGYQCAGGTPNKTACMYG
GVTLHDNNRLTEEKKVPINLWLDGKQNTVPLETVKTNKKNVTVQELDLQA
RRYLQEKYNLYNSDVFDGKVQRGLIVFATSTEPSVNYDLFGAQGQYSNTL
LRIYRDNKTINSENMHIDIYLYTS
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 chain1i4g Chain A Residue 460 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1i4g Cooperative zinc binding in a staphylococcal enterotoxin A mutant mimics the SEA-MHC class II interaction
Resolution2.1 Å
Binding residue
(original residue number in PDB)		H225 D227
Binding residue
(residue number reindexed from 1)		H216 D218
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:1i4g, PDBe:1i4g, PDBj:1i4g
PDBsum1i4g
PubMed11713682
UniProtP0A0L2|ETXA_STAAU Enterotoxin type A (Gene Name=entA)

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