4BQS

Crystal structure of Mycobacterium tuberculosis shikimate kinase in complex with ADP and a shikimic acid derivative.

Summary for 4BQS

Entry DOI	10.2210/pdb4bqs/pdb
Descriptor	SHIKIMATE KINASE, ADENOSINE-5'-DIPHOSPHATE, (1R,6R,10S)-6,10-dihydroxy-2-oxabicyclo[4.3.1]deca-4(Z),7-diene-8-carboxylic acid, ... (4 entities in total)
Functional Keywords	transferase, phosphotransferases (alcohol group acceptor), shikimic acid pathway, inhibitor
Biological source	MYCOBACTERIUM TUBERCULOSIS
Total number of polymer chains	3
Total formula weight	57755.26
Authors	Otero, J.M.,Garcia-Doval, C.,Llamas-Saiz, A.L.,Blanco, B.,Prado, V.,Lence, E.,Lamb, H.,Hawkins, A.R.,Gonzalez-Bello, C.,van Raaij, M.J. (deposition date: 2013-06-02, release date: 2013-08-07, Last modification date: 2023-12-20)
Primary citation	Blanco, B.,Prado, V.,Lence, E.,Otero, J.M.,Garcia-Doval, C.,van Raaij, M.J.,Llamas-Saiz, A.L.,Lamb, H.,Hawkins, A.R.,Gonzalez-Bello, C. Mycobacterium tuberculosis shikimate kinase inhibitors: design and simulation studies of the catalytic turnover. J. Am. Chem. Soc., 135:12366-12376, 2013 Cited by PubMed: 23889343 DOI: 10.1021/ja405853p PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.15 Å)

Structure validation