Structure of PDB 2aq2 Chain B Binding Site BS01

Receptor Information
>2aq2 Chain B (length=234) Species: 1280 (Staphylococcus aureus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SQPDPMPDDLHKSSEFTGTMGNMKYLYDDHYVSATKVKSVDKFLAHDLIY
NISDKKLKNYDKVKTELLNEDLAKKYKDEVVDVYGSNYYVNCYFSSKDNV
WWPGKTCMYGGITKHEGNHFDNGNLQNVLVRVYENKRNTISFEVQTDKKS
VTAQELDIKARNFLINKKNLYEFNSSPYETGYIKFIENNGNTFWYDMMPA
PGDKFDQSKYLMMYNDNKTVDSKSVKIEVHLTTK
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 chain2aq2 Chain B Residue 1001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2aq2 Structural basis of affinity maturation and intramolecular cooperativity in a protein-protein interaction.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		D83 H116 H120
Binding residue
(residue number reindexed from 1)		D82 H115 H119
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:2aq2, PDBe:2aq2, PDBj:2aq2
PDBsum2aq2
PubMed16338399
UniProtP0A0L5|ENTC3_STAAU Enterotoxin type C-3 (Gene Name=entC3)

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