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3N76

Crystal structure of 3-dehydroquinate dehydratase from Mycobacterium tuberculosis in complex with compound 5

Summary for 3N76
Entry DOI10.2210/pdb3n76/pdb
Related3N7A 3N86 3N87 3N8N
Descriptor3-dehydroquinate dehydratase, (1S,3R,4R,5S)-1,3,4-TRIHYDROXY-5-(3-PHENOXYPROPYL)CYCLOHEXANECARBOXYLIC ACID (3 entities in total)
Functional Keywordsdehydroquinate dehydratase, arod, shikimate pathway, drug discovery, mycobacterium tuberculosis, lyase, lyase-lyase inhibitor complex, lyase/lyase inhibitor
Biological sourceMycobacterium tuberculosis
Total number of polymer chains1
Total formula weight16118.27
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: 2010-05-26, release date: 2011-05-11, Last modification date: 2023-09-06)
Primary citationDias, 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 (1.9 Å)
Structure validation

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