Structure of PDB 4ir0 Chain B Binding Site BS03

Receptor Information
>4ir0 Chain B (length=134) Species: 198094 (Bacillus anthracis str. Ames) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LQGINHICFSVSNLEKSIEFYQKILQAKLLVKGRKLAYFDLNGLWIALNV
EEDIPRNEIKQSYTHMAFTVTNEALDHLKEVLIQNDVNILPGRERDERDQ
RSLYFTDPDGHKFEFHTGTLQNRLEYYKEDKKHM
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
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB4ir0 Crystal Structure of Metallothiol Transferase FosB 2 from Bacillus anthracis str. Ames
Resolution1.6 Å
Binding residue
(original residue number in PDB)		Y64 H66 R94 Y105 E115 R124
Binding residue
(residue number reindexed from 1)		Y63 H65 R93 Y104 E114 R123
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

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:4ir0, PDBe:4ir0, PDBj:4ir0
PDBsum4ir0
PubMed
UniProtQ81W73|FOSB2_BACAN Metallothiol transferase FosB 2 (Gene Name=fosB2)

[Back to BioLiP]