Cell Reactant:

Syringe Reactant:

Meas. Tech.:

Isothermal Titration Calorimetry

Entry Date.:

03/31/03

ΔG°:

-51±0.6 (kJ/mole)

pH:

7.5±n/a

Log₁₀Kb:

8.3

Temperature:

298.15±n/a (K)

ΔH° :

-39.6±2.4 (kJ/mole)

ΔH_obs :

-39.6±2.4 (kJ/mole)

Corrected for ΔH_ioniz:

not known

Protons Released:

0

ΔC_p :

-1.46±0.14 (kJ/mole)

Stoich. Param.:

1

ΔS° :

0.0383±0.0034 (kJ/mole-K)

Comments:

Displacement titration measurements were used because the constant of association was too high to measure directly.

Citation

 Lafitte, D; Lamour, V; Tsvetkov, PO; Makarov, AA; Klich, M; Deprez, P; Moras, D; Briand, C; Gilli, R DNA gyrase interaction with coumarin-based inhibitors: the role of the hydroxybenzoate isopentenyl moiety and the 5'-methyl group of the noviose. Biochemistry 41:7217-23 (2002) [PubMed]  Article

More Info.:

Get all data from this article,  ITC RUN data,  Solution Info,  Data Fit Method,  Instrument Info

Source:

Bacterial clone

Purity:

97%

Prep. Method:

Gilbert, E. J., and Maxwell, A. (1994) Mol. Microbiol. 12, 365-373.

Name:

DNA gyrase subunit B

Synonyms:

gyrB

Type:

Enzyme

Mol. Mass.:

89941.28

Organism:

Escherichia coli

Description:

C3SLN3

Residue:

804

Sequence:

MSNSYDSSSIKVLKGLDAVRKRPGMYIGDTDDGTGLHHMVFEVVDNAIDEALAGHCKEIIVTIHADNSVSVQDDGRGIPTGIHPEEGVSAAEVIMTVLHAGGKFDDNSYKVSGGLHGVGVSVVNALSQKLELVIQREGKIHRQIYEHGVPQAPLAVTGETEKTGTMVRFWPSLETFTNVTEFEYEILAKRLRELSFLNSGVSIRLRDKRDGKEDHFHYEGGIKAFVEYLNKNKTPIHPNIFYFSTEKDGIGVEVALQWNDGFQENIYCFTNNIPQRDGGTHLAGFRAAMTRTLNAYMDKEGYSKKAKVSATGDDAREGLIAVVSVKVPDPKFSSQTKDKLVSSEVKSAVEQQMNELLAEYLLENPTDAKIVVGKIIDAARAREAARRAREMTRRKGALDLAGLPGKLADCQERDPALSELYLVEGDSAGGSAKQGRNRKNQAILPLKGKILNVEKARFDKMLSSQEVATLITALGCGIGRDEYNPDKLRYHSIIIMTDADVDGSHIRTLLLTFFYRQMPEIVERGHVYIAQPPLYKVKKGKQEQYIKDDEAMDQYQISIALDGATLHTNASAPALAGEALEKLVSEYNATQKMINRMERRYPKAMLKELIYQPTLTEADLSDEQTVTRWVNALVSELNDKEQHGSQWKFDVHTNAEQNLFEPIVRVRTHGVDTDYPLDHEFITGGEYRRICTLGEKLRGLLEEDAFIERGERRQPVASFEQALDWLVKESRRGLSIQRYKGLGEMNPEQLWETTMDPESRRMLRVTVKDAIAADQLFTTLMGDAVEPRRAFIEENALKAANIDI

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Blast E-value cutoff:

Source:

Synthesis

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.

Name:

BDBM283

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

Type:

Antibiotic

Emp. Form.:

C35H37ClN2O11

Mol. Mass.:

697.128

SMILES:

COC1C(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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