Structure of PDB 4ir0 Chain A Binding Site BS03

Receptor Information
>4ir0 Chain A (length=147) Species: 198094 (Bacillus anthracis str. Ames) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MMLQGINHICFSVSNLEKSIEFYQKILQAKLLVKGRKLAYFDLNGLWIAL
NVEEDIPRNEIKQSYTHMAFTVTNEALDHLKEVLIQNDVNILPGRERDER
DQRSLYFTDPDGHKFEFHTGTLQNRLEYYKEDKKHMTFYIAGENLYF
Ligand information
Ligand IDFCN
InChIInChI=1S/C3H7O4P/c1-2-3(7-2)8(4,5)6/h2-3H,1H3,(H2,4,5,6)/t2-,3+/m0/s1
InChIKeyYMDXZJFXQJVXBF-STHAYSLISA-N
SMILES
SoftwareSMILES
CACTVS 3.341C[C@@H]1O[C@@H]1[P](O)(O)=O
OpenEye OEToolkits 1.5.0C[C@H]1[C@H](O1)P(=O)(O)O
ACDLabs 10.04O=P(O)(O)C1OC1C
OpenEye OEToolkits 1.5.0CC1C(O1)P(=O)(O)O
CACTVS 3.341C[CH]1O[CH]1[P](O)(O)=O
FormulaC3 H7 O4 P
NameFOSFOMYCIN;
1,2-EPOXYPROPYLPHOSPHONIC ACID
ChEMBLCHEMBL1757
DrugBankDB00828
ZINCZINC000001530427
PDB chain4ir0 Chain B Residue 202 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4ir0 Crystal Structure of Metallothiol Transferase FosB 2 from Bacillus anthracis str. Ames
Resolution1.6 Å
Binding residue
(original residue number in PDB)		H7 C9 W46
Binding residue
(residue number reindexed from 1)		H8 C10 W47
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:4ir0, PDBe:4ir0, PDBj:4ir0
PDBsum4ir0
PubMed
UniProtQ81W73|FOSB2_BACAN Metallothiol transferase FosB 2 (Gene Name=fosB2)

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