Structure of PDB 4jh7 Chain B Binding Site BS01

Receptor Information
>4jh7 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 chain4jh7 Chain A Residue 204 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4jh7 Structural and Chemical Aspects of Resistance to the Antibiotic Fosfomycin Conferred by FosB from Bacillus cereus.
Resolution1.55 Å
Binding residue
(original residue number in PDB)		H7 C9 Y39 N50
Binding residue
(residue number reindexed from 1)		H7 C9 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:4jh7, PDBe:4jh7, PDBj:4jh7
PDBsum4jh7
PubMed24004181
UniProtQ739M9|FOSB_BACC1 Metallothiol transferase FosB (Gene Name=fosB)

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