4CL8

Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor and inhibitor

Summary for 4CL8

• Entry DOI: 10.2210/pdb4cl8/pdb
• Related: 4CLD 4CLE
• Descriptor: PTERIDINE REDUCTASE 1, 2,4-diamino-6-(3-formylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... (5 entities in total)
• Functional Keywords: oxidoreductase, short-chain dehydrogenase/reductase
• Biological source: TRYPANOSOMA BRUCEI BRUCEI
• Total number of polymer chains: 4
• Total formula weight: 127002.04

Authors

Barrack, K.L.,Hunter, W.N. (deposition date: 2014-01-13, release date: 2015-01-21)

• Primary citation: Khalaf, A.I.,Huggan, J.K.,Suckling, C.J.,Gibson, C.L.,Stewart, K.,Giordani, F.,Barrett, M.P.,Wong, P.E.,Barrack, K.L.,Hunter, W.N.; Structure-Based Design and Synthesis of Antiparasitic Pyrrolopyrimidines Targeting Pteridine Reductase 1.; J.Med.Chem., 57:6479-, 2014; PubMed: 25007262; DOI: 10.1021/JM500483B

Experimental method

X-RAY DIFFRACTION (2.2 Å)