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Cell Reactant:DNA Gyrase
Syringe Reactant:BDBM284
Meas. Tech.:Isothermal Titration Calorimetry
Entry Date:03/31/03
 
ΔG°:-9.64±0.120 (kcal/mole)
pH:7.5±n/a
Log10Kb:7.08± 6.30
Temperature:298.15±n/a (K)
ΔH° :-4.52±0.740 (kcal/mole)
ΔHobs :-4.52±0.740 (kcal/mole)
Ionic Strength:n/a
Corrected for ΔHioniz:not known
Protons Released:n/a
ΔCp :-0.2±0.02 (kcal/mole)
Stoich. Param.:n/a
ΔS° :0.0200±0 (kcal/mole-K)
Comments:n/a
 
Citation Lafitte, DLamour, VTsvetkov, POMakarov, AAKlich, MDeprez, PMoras, DBriand, CGilli, R DNA gyrase interaction with coumarin-based inhibitors: the role of the hydroxybenzoate isopentenyl moiety and the 5'-methyl group of the noviose. Biochemistry41:7217-23 (2002) [PubMed]  Article
More Info.:  Get all data from this article ,  ITC RUN data ,  Solution Info ,  Data Fit Method ,  Instrument Info
 
DNA Gyrase
Source:Bacterial clone
Purity:97%
Prep. Method:Gilbert, E. J., and Maxwell, A. (1994) Mol. Microbiol. 12, 365-373.
Name:DNA Gyrase
Synonyms:n/a
Type:Enzyme
Mol. Mass.:38989.92
Organism:Escherichia coli
Description:A0A0C2BP49
Residue:354
Sequence:
MSNSYDSSSIKVLKGLDAVRKRPGMYIGDTDDGTGLHHMVFEVVDNAIDEALAGHCKEII
VTIHADNSVSVQDDGRGIPTGIHPEEGVSAAEVIMTVLHAGGKFDDNSYKVSGGLHGVGV
SVVNALSQKLELVIQREGKIHRQIYEHGVPQAPLAVTGETEKTGTMVRFWPSLETFTNVT
EFEYEILAKRLRELSFLNSGVSIRLRDKRDGKEDHFHYEGGIKAFVEYLNKNKTPIHPNI
FYFSTEKDGIGVEVALQWNDGFQENIYCFTNNIPQRDGGTHLAGFRAAMTRTLNAYMDKE
GYSKKAKVSATGDDAREGLIAVVSVKVPDPKFSSQTKDKLVSSEVKSAVEQQMN
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM284
Source:Synthesis
Purity:n/a
Prep. Method:Ferroud, D., Collard, J., Klich, M., Dupuis-Hamelin, C., Mauvais, P., Lassaigne, P., Bonnefoy, A., and Musicki, B.(1999) Bioorg. Med. Chem. Lett. 9, 2881-2886.
NameBDBM284
Synonyms:Coumarin-Based, DNA Gyrase Inhibitor | RU 64135 | {[7-({3-hydroxy-5-methoxy-6,6-dimethyl-4-[(5-methyl-1H-pyrrol-2-yl)carbonyloxy]oxan-2-yl}oxy)-8-methyl-2-oxo-2H-chromen-4-yl]methyl}phosphonate
TypeAntibiotic
Emp. Form.C25H28NO11P
Mol. Mass.549.4648
SMILESCOC1C(OC(=O)c2ccc(C)[nH]2)C(O)C(Oc2ccc3c(CP([O-])([O-])=O)cc(=O)oc3c2C)OC1(C)C
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:

   
    

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