4V0S

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

Summary for 4V0S

• Entry DOI: 10.2210/pdb4v0s/pdb
• Descriptor: 3-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 Keywords: binding sites, type 2 dehydroquinase, lyase, inhibitor, protein binding, shikimis acid pathway, substrate specificity
• Biological source: MYCOBACTERIUM TUBERCULOSIS
• Total number of polymer chains: 2
• Total formula weight: 32890.28

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 citation: Maneiro, 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)