4AJ4

rat LDHA in complex with 4-((2-allylsulfanyl-1,3-benzothizol-6-yl) amino)-4-oxo-butanoic acid

Summary for 4AJ4

• Entry DOI: 10.2210/pdb4aj4/pdb
• Related: 4AJ1 4AJ2 4AJE 4AJH 4AJI 4AJJ 4AJK 4AJL 4AJN 4AJO 4AJP
• Descriptor: L-LACTATE DEHYDROGENASE A CHAIN, MALONATE ION, 4-oxo-4-{[2-(prop-2-en-1-ylsulfanyl)-1,3-benzothiazol-6-yl]amino}butanoic acid, ... (4 entities in total)
• Functional Keywords: oxidoreductase-inhibitor complex, fragment based lead generated inhibitors, oxidoreductase/inhibitor
• Biological source: RATTUS NORVEGICUS (NORWAY RAT)
• Cellular location: Cytoplasm: P04642
• Total number of polymer chains: 4
• Total formula weight: 148083.72

Authors

Tucker, J.A.,Brassington, C.,Hassall, G.,Vogtherr, M.,Ward, R.,Tart, J.,Davies, G. (deposition date: 2012-02-15, release date: 2012-03-21, Last modification date: 2018-04-04)

• Primary citation: Ward, R.,Brassington, C.,Breeze, A.L.,Caputo, A.,Critchlow, S.,Davies, G.,Goodwin, L.,Hassall, G.,Greenwood, R.,Holdgate, G.,Mrosek, M.,Norman, R.A.,Pearson, S.,Tart, J.,Tucker, J.A.,Vogtherr, M.,Whittaker, D.,Wingfield, J.,Winter, J.,Hudson, K.; The Design and Synthesis of Novel Lactate Dehydrogenase a Inhibitors by Fragment-Based Lead Generation; J.Med.Chem., 55:3285-, 2012; PubMed: 22417091; DOI: 10.1021/JM201734R

Experimental method

X-RAY DIFFRACTION (1.9 Å)