5L8C

Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-039

Summary for 5L8C

• Entry DOI: 10.2210/pdb5l8c/pdb
• Descriptor: Phosphodiesterase, ZINC ION, MAGNESIUM ION, ... (9 entities in total)
• Functional Keywords: parasitic pde, african trypanosomiasis, sleeping sickness, hydrolase
• Biological source: Trypanosoma brucei
• Total number of polymer chains: 2
• Total formula weight: 83106.90

Authors

Singh, A.K.,Anthonyrajah, E.S.,Brown, D.G. (deposition date: 2016-06-07, release date: 2018-03-14, Last modification date: 2018-05-23)

• Primary citation: Blaazer, A.R.,Singh, A.K.,de Heuvel, E.,Edink, E.,Orrling, K.M.,Veerman, J.J.N.,van den Bergh, T.,Jansen, C.,Balasubramaniam, E.,Mooij, W.J.,Custers, H.,Sijm, M.,Tagoe, D.N.A.,Kalejaiye, T.D.,Munday, J.C.,Tenor, H.,Matheeussen, A.,Wijtmans, M.,Siderius, M.,de Graaf, C.,Maes, L.,de Koning, H.P.,Bailey, D.S.,Sterk, G.J.,de Esch, I.J.P.,Brown, D.G.,Leurs, R.; Targeting a Subpocket in Trypanosoma brucei Phosphodiesterase B1 (TbrPDEB1) Enables the Structure-Based Discovery of Selective Inhibitors with Trypanocidal Activity.; J. Med. Chem., 61:3870-3888, 2018; PubMed: 29672041; DOI: 10.1021/acs.jmedchem.7b01670

Experimental method

X-RAY DIFFRACTION (2.01 Å)