Brand  (β version)

PDB ID: 5F04

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Ligands
Code Name Style Show Link
5TB 3-cyclopentyl-1-[3-[4-(methylaminomethyl)phenyl]-1,3-diazinan-1-yl]propan-1-one PoSSuM
EDO 1,2-ethanediol PoSSuM
GOL Glycerol PoSSuM
SO4 Sulfate ion PoSSuM
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Structure summary

Code : 5F04   PDBj   RCSB PDB   PDBe
Header : TRANSCRIPTION
Title : Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with compound 3 at 1.84A resolution
Release Data : 2016-02-03
Compound :
mol_id molecule chains
1 HTH-type transcriptional regulator EthR A
Source :
mol_id organism_scientific expression_system
1 Mycobacterium tuberculosis  (taxid:83331) Escherichia coli  (taxid:562)
gene: ethR, etaR, MT3970
Authors : Surade, S., Blaszczyk, M., Nikiforov, P.O., Abell, C., Blundell, T.L.
Keywords : EthR, transcription, repressor, Mycobacterium tuberculosis
Exp. method : X-RAY DIFFRACTION ( 1.8400 Å )
Citation :

A fragment merging approach towards the development of small molecule inhibitors of Mycobacterium tuberculosis EthR for use as ethionamide boosters.

Nikiforov, P.O.,Surade, S.,Blaszczyk, M.  et al.
(2016)  Org.Biomol.Chem.  14 : 2318 - 2326

PubMed: 26806381
DOI: 10.1039/c5ob02630j

Reaction

Chain : A
UniProt : P9WMC0 (ETHR_MYCTO)
Reaction : -