3N86

Crystal structure of 3-dehydroquinate dehydratase from Mycobacterium tuberculosis in complex with inhibitor 4

Summary for 3N86

• Entry DOI: 10.2210/pdb3n86/pdb
• Related: 3N76 3N7A 3N87 3N8N
• Descriptor: 3-dehydroquinate dehydratase, (1R,5R)-1,5-dihydroxy-4-oxo-3-[3-oxo-3-(phenylamino)propyl]cyclohex-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: 387053.78

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: 2010-05-27, 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; PubMed: 21410435; DOI: 10.1042/BJ20110002

Experimental method

X-RAY DIFFRACTION (1.9 Å)