ITC Summary

Reaction Details

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Cell Reactant:

DNA Gyrase

Syringe Reactant:

BDBM284

Meas. Tech.:

Isothermal Titration Calorimetry

Entry Date:

03/31/03

ΔG°:

-40.3±0.5 (kJ/mole)

pH:

7.5±n/a

Log₁₀Kb:

7.08± 6.30

Temperature:

298.15±n/a (K)

ΔH° :

-18.9±3.10 (kJ/mole)

ΔH_obs :

-18.9±3.10 (kJ/mole)

Ionic Strength:

n/a

Corrected for ΔH_ioniz:

not known

Protons Released:

n/a

ΔC_p :

-0.83±0.07 (kJ/mole)

Stoich. Param.:

n/a

ΔS° :

0.0718±0.00540 (kJ/mole-K)

Comments:

n/a

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. 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 subunit B

Synonyms:

gyrB

Type:

Enzyme

Mol. Mass.:

89941.28

Organism:

Escherichia coli

Description:

C3SLN3

Residue:

804

Sequence:

MSNSYDSSSIKVLKGLDAVRKRPGMYIGDTDDGTGLHHMVFEVVDNAIDEALAGHCKEII
VTIHADNSVSVQDDGRGIPTGIHPEEGVSAAEVIMTVLHAGGKFDDNSYKVSGGLHGVGV
SVVNALSQKLELVIQREGKIHRQIYEHGVPQAPLAVTGETEKTGTMVRFWPSLETFTNVT
EFEYEILAKRLRELSFLNSGVSIRLRDKRDGKEDHFHYEGGIKAFVEYLNKNKTPIHPNI
FYFSTEKDGIGVEVALQWNDGFQENIYCFTNNIPQRDGGTHLAGFRAAMTRTLNAYMDKE
GYSKKAKVSATGDDAREGLIAVVSVKVPDPKFSSQTKDKLVSSEVKSAVEQQMNELLAEY
LLENPTDAKIVVGKIIDAARAREAARRAREMTRRKGALDLAGLPGKLADCQERDPALSEL
YLVEGDSAGGSAKQGRNRKNQAILPLKGKILNVEKARFDKMLSSQEVATLITALGCGIGR
DEYNPDKLRYHSIIIMTDADVDGSHIRTLLLTFFYRQMPEIVERGHVYIAQPPLYKVKKG
KQEQYIKDDEAMDQYQISIALDGATLHTNASAPALAGEALEKLVSEYNATQKMINRMERR
YPKAMLKELIYQPTLTEADLSDEQTVTRWVNALVSELNDKEQHGSQWKFDVHTNAEQNLF
EPIVRVRTHGVDTDYPLDHEFITGGEYRRICTLGEKLRGLLEEDAFIERGERRQPVASFE
QALDWLVKESRRGLSIQRYKGLGEMNPEQLWETTMDPESRRMLRVTVKDAIAADQLFTTL
MGDAVEPRRAFIEENALKAANIDI

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.

Name

BDBM284

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

Type

Antibiotic

Emp. Form.

C25H28NO11P

Mol. Mass.

549.4648

SMILES

COC1C(OC(=O)c2ccc(C)[nH]2)C(O)C(Oc2ccc3c(CP([O-])([O-])=O)cc(=O)oc3c2C)OC1(C)C

Structure

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