Structure of PDB 8e7r Chain A Binding Site BS01

Receptor Information
>8e7r Chain A (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 IDPAE
InChIInChI=1S/C2H5O5P/c3-2(4)1-8(5,6)7/h1H2,(H,3,4)(H2,5,6,7)
InChIKeyXUYJLQHKOGNDPB-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C(=O)O)P(=O)(O)O
ACDLabs 10.04O=C(O)CP(=O)(O)O
CACTVS 3.341OC(=O)C[P](O)(O)=O
FormulaC2 H5 O5 P
NamePHOSPHONOACETIC ACID
ChEMBLCHEMBL50300
DrugBankDB02823
ZINCZINC000003869741
PDB chain8e7r Chain A Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8e7r Identification and analysis of small molecule inhibitors of FosB from Staphylococcus aureus.
Resolution1.975 Å
Binding residue
(original residue number in PDB)		Y64 H66 R94 Y105 R124
Binding residue
(residue number reindexed from 1)		Y64 H66 R94 Y105 R124
Annotation score1
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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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8e7r, PDBe:8e7r, PDBj:8e7r
PDBsum8e7r
PubMed37252104
UniProtQ739M9|FOSB_BACC1 Metallothiol transferase FosB (Gene Name=fosB)

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