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Cell Reactant:DNA Gyrase
Syringe Reactant:BDBM283
Meas. Tech.:Isothermal Titration Calorimetry
Entry Date:03/31/03
 
ΔG°:-12.2±0.140 (kcal/mole)
pH:7.5±n/a
Log10Kb:8.93± 8.34
Temperature:298.15±n/a (K)
ΔH° :-9.47±0.570 (kcal/mole)
ΔHobs :-9.47±0.570 (kcal/mole)
Ionic Strength:n/a
Corrected for ΔHioniz:not known
Protons Released:0
ΔCp :-0.35±0.03 (kcal/mole)
Stoich. Param.:1
ΔS° :0.0100±0 (kcal/mole-K)
Comments:Displacement titration measurements were used because the constant of association was too high to measure directly.
 
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:
BDBM283
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.
NameBDBM283
Synonyms:6-[(8-chloro-4-hydroxy-3-{[4-hydroxy-3-(3-methylbut-2-en-1-yl)benzene]amido}-2-oxo-2H-chromen-7-yl)oxy]-5-hydroxy-3-methoxy-2,2-dimethyloxan-4-yl 5-methyl-1H-pyrrole-2-carboxylate | Clorobiocin | Coumarin-Based, DNA Gyrase Inhibitor | cid_54677920
TypeAntibiotic
Emp. Form.C35H37ClN2O11
Mol. Mass.697.128
SMILESCOC1C(OC(=O)c2ccc(C)[nH]2)C(O)C(Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2Cl)OC1(C)C |(-11.67,5.02,;-11.54,3.68,;-10.41,2.64,;-9.47,1.42,;-9.65,-.11,;-9.68,-1.17,;-8.71,-2.36,;-10.68,-1.93,;-11.03,-.43,;-13.62,-1.04,;-13.27,-2.54,;-14.39,-3.59,;-11.8,-2.98,;-7.94,1.61,;-8.07,.08,;-7.35,3.03,;-6.07,3.72,;-4.54,3.57,;-4.54,2.03,;-3.21,1.26,;-1.87,2.03,;-.54,1.26,;-.54,-.28,;.79,2.03,;1.98,1.05,;3.09,1.05,;3.55,-.42,;4.14,1.87,;4.14,3.41,;5.48,4.18,;6.81,3.41,;7.98,4.41,;6.81,1.87,;7.64,1.05,;8.4,1.75,;9.16,.93,;9.22,-.17,;10.21,1.4,;5.48,1.1,;.79,3.57,;2.05,4.46,;-.54,4.34,;-1.87,3.57,;-3.21,4.34,;-3.1,6.11,;-8.29,4.26,;-9.81,4.06,;-9.92,5.25,;-9.68,3.15,)|
Structure
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