3N8N

Crystal structure of 3-dehydroquinate dehydratase from Mycobacterium tuberculosis in complex with inhibitor 6

Summary for 3N8N

Entry DOI	10.2210/pdb3n8n/pdb
Related	3N76 3N7A 3N86 3N87
Descriptor	3-dehydroquinate dehydratase, (1R,4R,5R)-3-(tert-butylcarbamoyl)-1,4,5-trihydroxycyclohex-2-ene-1-carboxylic acid (3 entities in total)
Functional Keywords	dehydroquinate dehydratase, arod, mycobacterium tuberculosis, shikimate pathway, drug discovery, lyase, lyase-lyase inhibitor complex, lyase/lyase inhibitor
Biological source	Mycobacterium tuberculosis
Total number of polymer chains	24
Total formula weight	383216.32
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. (deposition date: 2010-05-28, release date: 2011-05-11, Last modification date: 2023-09-06)
Primary citation	Dias, M.V.,Snee, W.C.,Bromfield, K.M.,Payne, R.J.,Palaninathan, S.K.,Ciulli, A.,Howard, N.I.,Abell, C.,Sacchettini, J.C.,Blundell, T.L. Structural investigation of inhibitor designs targeting 3-dehydroquinate dehydratase from the shikimate pathway of Mycobacterium tuberculosis. Biochem.J., 436:729-739, 2011 Cited by PubMed: 21410435 DOI: 10.1042/BJ20110002 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.5 Å)

Structure validation