Structure of PDB 4udu Chain C Binding Site BS01

Receptor Information
>4udu Chain C (length=218) Species: 1280 (Staphylococcus aureus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KDLRKKSELQRNALSNLRQIYYYNEKAITENKESNTLLFKGFFTGHPWYN
DLLVDLGSKDATNKYKGKKVDLYGAYYGYQCAGGTPNKTACMYGGVTLHD
NNRLTEEKKVPINLWIDGKQTTVPIDKVKTSKKEVTVQELDLQARHYLHG
KFGLYNSDSFGGKVQRGLIVFHSSEGSTVSYDLFDAQGQYPDTLLRIYRD
NKTINSENLHIDLYLYTT
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 chain4udu Chain C Residue 1234 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4udu Structure of Staphylococcal Enterotoxin E in Complex with Tcr Defines the Role of Tcr Loop Positioning in Superantigen Recognition.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		H187 H225 D227
Binding residue
(residue number reindexed from 1)		H172 H210 D212
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Cellular Component
GO:0005576 extracellular region

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Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:4udu, PDBe:4udu, PDBj:4udu
PDBsum4udu
PubMed26147596
UniProtP12993|ETXE_STAAU Enterotoxin type E (Gene Name=entE)

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