Structure of PDB 1i4r Chain A Binding Site BS01

Receptor Information
>1i4r Chain A (length=234) Species: 1280 (Staphylococcus aureus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ESQPDPTPDELHKSSEFTGTMGNMKYLYDDHYVSATKVMSVDKFLAHDLI
YNISDKKLKNYDKVKTELLNEDLAKKYKDEVVDVYGSNYYVNCYFSSKDN
GGKTCMYGGITKHEGNHFDNGNLQNVLIRVYENKRNTISFEVQTDKKSVT
AQELDIKARNFLINKKNLYEFNSSPYETGYIKFIENNGNTFWYDMMPAPG
DKFDQSKYLMMYNDNKTVDSKSVKIEVHLTTKNG
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 chain1i4r Chain A Residue 240 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1i4r Structure of staphylococcal enterotoxin C2 at various pH levels.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		D83 H118 H122
Binding residue
(residue number reindexed from 1)		D83 H113 H117
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
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:1i4r, PDBe:1i4r, PDBj:1i4r
PDBsum1i4r
PubMed11526318
UniProtP34071|ENTC2_STAAU Enterotoxin type C-2 (Gene Name=entC2)

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