Structure of PDB 8g7g Chain B Binding Site BS01

Receptor Information
>8g7g 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 IDYS8
InChIInChI=1S/C4H11O4P/c1-3(2)4(5)9(6,7)8/h3-5H,1-2H3,(H2,6,7,8)/t4-/m1/s1
InChIKeyNCSVFERDDBHVCB-SCSAIBSYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CC(C)[CH](O)[P](O)(O)=O
ACDLabs 12.01
OpenEye OEToolkits 2.0.7		CC(C)C(O)P(=O)(O)O
OpenEye OEToolkits 2.0.7CC(C)[C@H](O)P(=O)(O)O
CACTVS 3.385CC(C)[C@H](O)[P](O)(O)=O
FormulaC4 H11 O4 P
Name[(1R)-1-hydroxy-2-methylpropyl]phosphonic acid
ChEMBL
DrugBank
ZINC
PDB chain8g7g Chain A Residue 202 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8g7g Identification and analysis of small molecule inhibitors of FosB from Staphylococcus aureus.
Resolution2.23 Å
Binding residue
(original residue number in PDB)		H7 C9 Y39 A48
Binding residue
(residue number reindexed from 1)		H7 C9 Y39 A48
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:8g7g, PDBe:8g7g, PDBj:8g7g
PDBsum8g7g
PubMed37252104
UniProtQ739M9|FOSB_BACC1 Metallothiol transferase FosB (Gene Name=fosB)

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