Structure of PDB 8e7r Chain A Binding Site BS03

Receptor Information

>8e7r Chain A (length=138) Species: 1396 (Bacillus cereus)

MLNGINHLCFSVSNLEDSIEFYEKVLEGELLVRGRKLAYFNICGVWVALN
EEIHIPRNEIYQSYTHIAFSVEQKDFESLLQRLEENDVHILKGRERDVRD
CESIYFVDPDGHKFEFHSGTLQDRLNYYREDKPHMTFY

Ligand information

• Ligand ID: PAE
• InChI: InChI=1S/C2H5O5P/c3-2(4)1-8(5,6)7/h1H2,(H,3,4)(H2,5,6,7)
• InChIKey: XUYJLQHKOGNDPB-UHFFFAOYSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: C(C(=O)O)P(=O)(O)O
  ACDLabs 10.04: O=C(O)CP(=O)(O)O
  CACTVS 3.341: OC(=O)C[P](O)(O)=O
• Formula: C2 H5 O5 P
• Name: PHOSPHONOACETIC ACID
• ChEMBL: CHEMBL50300
• DrugBank: DB02823
• ZINC: ZINC000003869741
• PDB chain: 8e7r Chain B Residue 201

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8e7r Identification and analysis of small molecule inhibitors of FosB from Staphylococcus aureus.
• Resolution: 1.975 Å
• Binding residue (original residue number in PDB): C9 A48 N50
• Binding residue (residue number reindexed from 1): C9 A48 N50
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 2.5.1.-

Gene Ontology

Molecular Function

• GO:0000287 magnesium ion binding
• GO:0016740 transferase activity
• GO:0016765 transferase activity, transferring alkyl or aryl (other than methyl) groups
• GO:0046872 metal ion binding

Biological Process

• GO:0046677 response to antibiotic

Cellular Component

• GO:0005737 cytoplasm

External links

• PDB: RCSB:8e7r, PDBe:8e7r, PDBj:8e7r
• PDBsum: 8e7r
• PubMed: 37252104
• UniProt: Q739M9|FOSB_BACC1 Metallothiol transferase FosB (Gene Name=fosB)