Brand  (β version)

PDB ID: 2Y76

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Ligands
Code Name Style Show Link
CB7 (1r,4s,5r)-3-(benzo[B]thiophen-5-yl)methoxy-2-(benzo[B]thiophen-5-yl)methyl-1,4,5-trihydroxycyclohex-2-ene-1-carboxylate PoSSuM
SO4 Sulfate ion PoSSuM
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Structure summary

Code : 2Y76   PDBj   RCSB PDB   PDBe
Header : LYASE
Title : Structure of Mycobacterium tuberculosis type II dehydroquinase complexed with (1R,4S,5R)-3-(benzo(B)thiophen-5-ylmethoxy)-2-(benzo(B) thiophen-5-ylmethyl)-1,4,5-trihydroxycyclohex-2-enecarboxylate
Release Data : 2011-08-17
Compound :
mol_id molecule chains synonym
1 3-DEHYDROQUINATE DEHYDRATASE A 3-DEHYDROQUINASE, TYPE II DHQASE
ec: 4.2.1.10
Source :
mol_id organism_scientific expression_system
1 MYCOBACTERIUM TUBERCULOSIS  (taxid:1773) ESCHERICHIA COLI  (taxid:83333)
expression_system_strain: K-12
expression_system_variant: SK3430
expression_system_vector_type: PLASMID
expression_system_plasmid: PKK233-2
Authors : Otero, J.M., Llamas-Saiz, A.L., Fox, G.C., Tizon, L., Prazeres, V.F.V., Lamb, H., Hawkins, A.R., Ainsa, J.A., Castedo, L., Gonzalez-Bello, C., van Raaij, M.J.
Keywords : LYASE, AMINO ACID BIOSYNTHESIS
Exp. method : X-RAY DIFFRACTION ( 2.50 Å )
Citation :

A prodrug approach for improving antituberculosis activity of potent Mycobacterium tuberculosis type II dehydroquinase inhibitors.

Tizon, L.,Otero, J.M.,Prazeres, V.F.  et al.
(2011)  J. Med. Chem.  54 : 6063 - 6084

PubMed: 21780742
DOI: 10.1021/jm2006063

Reaction

Chain : A
UniProt : P0A4Z6 (AROQ_MYCTO)
Reaction: EC: Evidence:
Physiological Direction:
3-dehydroquinate = 3-dehydroshikimate + H2O 4.2.1.10 -
-