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Structure of PDB 8e7r Chain B Binding Site BS01

Receptor Information >8e7r Chain B (length=138) Species: 1396 (Bacillus cereus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure] 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 Software 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 A Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure Global view Local view Structure summary [Spin on] [Spin off] [Reset] [High quality] [Low quality] [White background] [Black background] [Spin on] [Spin off] [Reset] [High quality] [Low quality] [White background] [Black background] 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

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