Structure of PDB 1sxt Chain A Binding Site BS01

Receptor Information

>1sxt Chain A (length=224) Species: 1280 (Staphylococcus aureus)

KDLRKKSELQGTALGNLKQIYYYNEKAKTENKESHDQFLQHTILFKGFFT
DHSWYNDLLVDFDSKDIVDKYKGKKVDLYGAYYGYQCAGGTPNKTACMYG
GVTLHDNNRLTEEKKVPINLWLDGKQNTVPLETVKTNKKNVTVQELDLQA
RRYLQEKYNLYNSDVFDGKVQRGLIVFHTSTEPSVNYDLFGAQGQYSNTL
LRIYRDNKTINSENMHIDIYLYTS

Ligand information

• Ligand ID: ZN
• InChI: InChI=1S/Zn/q+2
• InChIKey: PTFCDOFLOPIGGS-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Zn++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Zn+2]
• Formula: Zn
• Name: ZINC ION
• ChEMBL: CHEMBL1236970
• DrugBank: DB14532
• PDB chain: 1sxt Chain A Residue 501

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1sxt The Co-crystal structure of staphylococcal enterotoxin type A with Zn2+ at 2.7 A resolution. Implications for major histocompatibility complex class II binding.
• Resolution: 2.7 Å
• Binding residue (original residue number in PDB): H187 H225 D227
• Binding residue (residue number reindexed from 1): H178 H216 D218
• Annotation score: 4

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

External links

• PDB: RCSB:1sxt, PDBe:1sxt, PDBj:1sxt
• PDBsum: 1sxt
• PubMed: 8943278
• UniProt: P0A0L2|ETXA_STAAU Enterotoxin type A (Gene Name=entA)