Structure of PDB 4jh9 Chain B Binding Site BS01

Receptor Information
>4jh9 Chain B (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 ID1KM
InChIInChI=1S/C6H14NO6PS/c1-3(8)6(14(11,12)13)15-2-4(7)5(9)10/h3-4,6,8H,2,7H2,1H3,(H,9,10)(H2,11,12,13)/t3-,4-,6+/m0/s1
InChIKeyACZNEKUZDVGTFM-RVJQKOHUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6C[C@@H]([C@H](P(=O)(O)O)SC[C@@H](C(=O)O)N)O
OpenEye OEToolkits 1.7.6CC(C(P(=O)(O)O)SCC(C(=O)O)N)O
CACTVS 3.370C[C@H](O)[C@@H](SC[C@H](N)C(O)=O)[P](O)(O)=O
CACTVS 3.370C[CH](O)[CH](SC[CH](N)C(O)=O)[P](O)(O)=O
FormulaC6 H14 N O6 P S
Name(2R)-2-azanyl-3-[(1R,2S)-2-oxidanyl-1-phosphono-propyl]sulfanyl-propanoic acid
ChEMBL
DrugBank
ZINCZINC000038955279
PDB chain4jh9 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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PDB4jh9 Structural and Chemical Aspects of Resistance to the Antibiotic Fosfomycin Conferred by FosB from Bacillus cereus.
Resolution1.77 Å
Binding residue
(original residue number in PDB)		H7 C9 Y39 A48 N50
Binding residue
(residue number reindexed from 1)		H7 C9 Y39 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:4jh9, PDBe:4jh9, PDBj:4jh9
PDBsum4jh9
PubMed24004181
UniProtQ739M9|FOSB_BACC1 Metallothiol transferase FosB (Gene Name=fosB)

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