Het-PDB Navi2 (PDB: 3N7A)

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Ligands
Code	Name		Style	Show	Link
FA1	2,3 -anhydro-quinic acid				PoSSuM
GOL	Glycerol				PoSSuM

Non-standard Residues
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Download interaction data: 3N7A

Code :

3N7A PDBj RCSB PDB PDBe

Header :

LYASE/LYASE INHIBITOR

Title :

Crystal structure of 3-dehydroquinate dehydratase from Mycobacterium tuberculosis in complex with inhibitor 2

Release Data :

2011-05-11

Compound :

mol_id	molecule	chains	synonym
1	3-dehydroquinate dehydratase	A,B,C,D,E,F,G,H,I,J,K,L,M,N,O,P,Q,R,S,T,U,V,W,X	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:469008)
	gene: aroD, aroQ, MT2612, MTCY159.19, Rv2537c expression_system_strain: BL21(DE3) expression_system_vector_type: plasmid expression_system_plasmid: pET28(a)

Authors :

Dias, M.V.B., Snee, W.C., Bromfield, K.M., Payne, R., Palaninathan, S.K., Ciulli, A., Howard, N.I., Abell, C., Sacchettini, J.C., Blundell, T.L.

Keywords :

dehydroquinate dehydratase, mycobacterium tuberculosis, shikimate pathway, drug discovery, LYASE, LYASE-LYASE INHIBITOR complex

Exp. method :

X-RAY DIFFRACTION ( 2.00 Å )

Citation :

Structural investigation of inhibitor designs targeting 3-dehydroquinate dehydratase from the shikimate pathway of Mycobacterium tuberculosis.

Dias, M.V.,Snee, W.C.,Bromfield, K.M. et al.
(2011) Biochem.J. 436 : 729 - 739

Chain :

A, B, C, D, E, F, G, H, I, J, K, L, M, N, O, P, Q, R, S, T, U, V, W, X

UniProt :

P0A4Z6 (AROQ_MYCTO)

Reaction:	EC:	Evidence:
Reaction:	Physiological Direction:	Evidence:
3-dehydroquinate = 3-dehydroshikimate + H2O	4.2.1.10	-
3-dehydroquinate = 3-dehydroshikimate + H2O	-	-

PDB ID: 3N7A