Structure of PDB 8g7h Chain B Binding Site BS01

Receptor Information
>8g7h 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 IDYRQ
InChIInChI=1S/C3H9O4P/c1-3(2-4)8(5,6)7/h3-4H,2H2,1H3,(H2,5,6,7)/t3-/m0/s1
InChIKeyAAZGNRIYIVFCOY-VKHMYHEASA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7C[C@@H](CO)P(=O)(O)O
CACTVS 3.385C[C@@H](CO)[P](O)(O)=O
CACTVS 3.385C[CH](CO)[P](O)(O)=O
ACDLabs 12.01
OpenEye OEToolkits 2.0.7		CC(CO)P(=O)(O)O
FormulaC3 H9 O4 P
Name[(2S)-1-hydroxypropan-2-yl]phosphonic acid
ChEMBL
DrugBank
ZINC
PDB chain8g7h 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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PDB8g7h Identification and analysis of small molecule inhibitors of FosB from Staphylococcus aureus.
Resolution1.81 Å
Binding residue
(original residue number in PDB)		H7 Y39 N50
Binding residue
(residue number reindexed from 1)		H7 Y39 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:8g7h, PDBe:8g7h, PDBj:8g7h
PDBsum8g7h
PubMed37252104
UniProtQ739M9|FOSB_BACC1 Metallothiol transferase FosB (Gene Name=fosB)

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