Cell Reactant:

Syringe Reactant:

Meas. Tech.:

Isothermal Titration Calorimetry

Entry Date.:

07/23/08

ΔG°:

-27.4626±0.3344 (kJ/mole)

pH:

7±n/a

Log₁₀Kb:

3.8

Temperature:

303.15±n/a (K)

ΔH_obs :

-7.0224±1.045 (kJ/mole)

Corrected for ΔH_ioniz:

no

ΔS° :

0.0674±0.0037 (kJ/mole-K)

Citation

 Terán, W; Krell, T; Ramos, JL; Gallegos, MT Effector-repressor interactions, binding of a single effector molecule to the operator-bound TtgR homodimer mediates derepression. J Biol Chem 281:7102-9 (2006) [PubMed]  Article

More Info.:

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

Source:

A 651-bp fragment containing the ttgR gene was amplified by PCR from P. putida DOT-T1E chromosomal DNA, and cloned in E. coli expression vector. TtgR protein was over-expressed and purified.

Prep. Method:

TtgR protein was further purified by size exclusion chromatography using a Sephacryl HR-200 column (Amersham Biosciences). Eluted fractions of TtgR were pooled, concentrated, and dialyzed against the buffer.

Name:

Transcriptional Regulator TtgR

Synonyms:

HTH-type transcriptional regulator ttgR | TTGR_PSEPT | Toluene efflux pump ttgABC operon repressor | ttgR

Type:

Repressor; homodimer

Mol. Mass.:

23852.57

Organism:

Pseudomonas putida

Description:

n/a

Residue:

210

Sequence:

MVRRTKEEAQETRAQIIEAAERAFYKRGVARTTLADIAELAGVTRGAIYWHFNNKAELVQALLDSLHETHDHLARASESEDEVDPLGCMRKLLLQVFNELVLDARTRRINEILHHKCEFTDDMCEIRQQRQSAVLDCHKGITLALANAVRRGQLPGELDAERAAVAMFAYVDGLIRRWLLLPDSVDLLGDVEKWVDTGLDMLRLSPALRK

Blast this sequence in BindingDB or PDB

  
Blast E-value cutoff:

Prep. Method:

All chemicals were manipulated in glass vessels and effector samples were neither degassed nor filtered, to avoid evaporation or nonspecific binding. Analyses were carried out using 5% DMSO to facilitate solubilization.

Name:

BDBM23451

Synonyms:

5,14-dihydroxy-8,17-dioxatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-1(10),2,4,6,11(16),12,14-heptaen-9-one | 7,12-Dihydroxycoumestan | CHEMBL30707 | Chrysanthin | Coumestrol | Cumoestrol | US8552057, 3

Type:

Coumestan

Emp. Form.:

C15H8O5

Mol. Mass.:

268.221

SMILES:

Oc1ccc2c(c1)oc1c2c(=O)oc2cc(O)ccc12

Structure:

Search PDB for entries with ligand similarity:

Similarity to this molecule at least: