4CMG

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

Summary for 4CMG

Entry DOI	10.2210/pdb4cmg/pdb
Related	4CL8 4CLD 4CLE 4CLH 4CLO 4CLR 4CLX 4CM1 4CM3 4CM4 4CM5 4CM6 4CM7 4CM8 4CM9 4CMA 4CMB 4CMC 4CME 4CMI
Descriptor	PTERIDINE REDUCTASE 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 6-(4-fluorophenyl)-5-(4-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine, ... (5 entities in total)
Functional Keywords	oxidoreductase, ptr1, short-chain dehydrogenase/reductase
Biological source	TRYPANOSOMA BRUCEI BRUCEI
Total number of polymer chains	4
Total formula weight	127168.32
Authors	Barrack, K.L.,Hunter, W.N. (deposition date: 2014-01-16, release date: 2015-01-21, Last modification date: 2023-12-20)
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 Cited by PubMed: 25007262 DOI: 10.1021/JM500483B PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2 Å)

Structure validation