Structure of PDB 8g7h Chain B Binding Site BS02

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 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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PDB8g7h Identification and analysis of small molecule inhibitors of FosB from Staphylococcus aureus.
Resolution1.81 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:8g7h, PDBe:8g7h, PDBj:8g7h
PDBsum8g7h
PubMed37252104
UniProtQ739M9|FOSB_BACC1 Metallothiol transferase FosB (Gene Name=fosB)

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