Structure of PDB 8dtd Chain A Binding Site BS01

Receptor Information
>8dtd Chain A (length=138) Species: 222523 (Bacillus cereus ATCC 10987) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MLNGINHLCFSVSNLEDSIEFYEKVLEGELLVRGRKLAYFNICGVWVALN
EEIHIPRNEIYQSYTHIAFSVEQKDFESLLQRLEENDVHILKGRERDVRD
CESIYFVDPDGHKFEFHSGTLQDRLNYYREDKPHMTFY
Ligand information
Ligand IDPPF
InChIInChI=1S/CH3O5P/c2-1(3)7(4,5)6/h(H,2,3)(H2,4,5,6)
InChIKeyZJAOAACCNHFJAH-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341OC(=O)[P](O)(O)=O
ACDLabs 10.04O=C(O)P(=O)(O)O
OpenEye OEToolkits 1.5.0C(=O)(O)P(=O)(O)O
FormulaC H3 O5 P
NamePHOSPHONOFORMIC ACID
ChEMBLCHEMBL666
DrugBankDB00529
ZINCZINC000008101109
PDB chain8dtd Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8dtd Inhibition of FosB by PPF
Resolution1.95 Å
Binding residue
(original residue number in PDB)		Y64 H66 R94 Y105 E115 R124
Binding residue
(residue number reindexed from 1)		Y64 H66 R94 Y105 E115 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:8dtd, PDBe:8dtd, PDBj:8dtd
PDBsum8dtd
PubMed36525630
UniProtQ739M9|FOSB_BACC1 Metallothiol transferase FosB (Gene Name=fosB)

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