Structure of PDB 8e7q Chain A Binding Site BS03

Receptor Information
>8e7q 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 IDUXR
InChIInChI=1S/C3H7O5P/c1-2(3(4)5)9(6,7)8/h2H,1H3,(H,4,5)(H2,6,7,8)/t2-/m0/s1
InChIKeyGUXRZQZCNOHHDO-REOHCLBHSA-N
SMILES
SoftwareSMILES
CACTVS 3.385C[CH](C(O)=O)[P](O)(O)=O
CACTVS 3.385C[C@@H](C(O)=O)[P](O)(O)=O
OpenEye OEToolkits 2.0.7CC(C(=O)O)P(=O)(O)O
OpenEye OEToolkits 2.0.7C[C@@H](C(=O)O)P(=O)(O)O
ACDLabs 12.01O=C(O)C(C)P(=O)(O)O
FormulaC3 H7 O5 P
Name(2S)-2-phosphonopropanoic acid
ChEMBL
DrugBank
ZINCZINC000002008859
PDB chain8e7q Chain B Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8e7q Identification and analysis of small molecule inhibitors of FosB from Staphylococcus aureus.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		H7 C9 A48 N50
Binding residue
(residue number reindexed from 1)		H7 C9 A48 N50
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:8e7q, PDBe:8e7q, PDBj:8e7q
PDBsum8e7q
PubMed37252104
UniProtQ739M9|FOSB_BACC1 Metallothiol transferase FosB (Gene Name=fosB)

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