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4V0S

Crystal structure of Mycobacterium tuberculosis Type II Dehydroquinase D88N mutant inhibited by a 3-dehydroquinic acid derivative

Summary for 4V0S
Entry DOI10.2210/pdb4v0s/pdb
Descriptor3-DEHYDROQUINATE DEHYDRATASE, (1R,2S,4S,5R)-2-(2,3,4,5,6-pentafluorophenyl)methyl-1,4,5-trihydroxy-3-oxocyclohexane-1-carboxylic acid, 3,4-DIHYDROXY-2-[(2,3,4,5,6-PENTAFLUOROPHENYL)METHYL]BENZOIC ACID, ... (6 entities in total)
Functional Keywordsbinding sites, type 2 dehydroquinase, lyase, inhibitor, protein binding, shikimis acid pathway, substrate specificity
Biological sourceMYCOBACTERIUM TUBERCULOSIS
Total number of polymer chains2
Total formula weight32890.28
Authors
Otero, J.M.,Llamas-Saiz, A.L.,Santiago, C.,Lamb, H.,Hawkins, A.R.,Maneiro, M.,Peon, A.,Gonzalez-Bello, C.,van Raaij, M.J. (deposition date: 2014-09-18, release date: 2016-01-13, Last modification date: 2024-01-10)
Primary citationManeiro, M.,Otero, J.M.,Peon, A.,van Raaij, M.J.,Lamb, H.,Hawkings, A.R.,Gonzalez-Bello, C.
Investigation of the Dehydratation Mechanism Catalyzed by the Type II Dehydroquinase
To be Published,
Experimental method
X-RAY DIFFRACTION (1.55 Å)
Structure validation

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