1bzf
From Proteopedia
|
NMR SOLUTION STRUCTURE AND DYNAMICS OF THE COMPLEX OF LACTOBACILLUS CASEI DIHYDROFOLATE REDUCTASE WITH THE NEW LIPOPHILIC ANTIFOLATE DRUG TRIMETREXATE, 22 STRUCTURES
Overview
We have determined the three-dimensional solution structure of the complex, of Lactobacillus casei dihydrofolate reductase and the anticancer drug, trimetrexate. Two thousand seventy distance, 345 dihedral angle, and 144, hydrogen bond restraints were obtained from analysis of multidimensional, NMR spectra recorded for complexes containing 15N-labeled protein., Simulated annealing calculations produced a family of 22 structures fully, consistent with the constraints. Several intermolecular protein-ligand, NOEs were obtained by using a novel approach monitoring temperature, effects of NOE signals resulting from dynamic processes in the bound, ligand. At low temperature (5 degrees C) the trimethoxy ring of bound, trimetrexate is flipping sufficiently slowly to give narrow signals in, slow ... [(full description)]
About this Structure
1BZF is a [Single protein] structure of sequence from [Lactobacillus casei] with TMQ as [ligand]. Active as [[1]], with EC number [1.5.1.3]. Full crystallographic information is available from [OCA].
Reference
Structure and dynamics in solution of the complex of Lactobacillus casei dihydrofolate reductase with the new lipophilic antifolate drug trimetrexate., Polshakov VI, Birdsall B, Frenkiel TA, Gargaro AR, Feeney J, Protein Sci. 1999 Mar;8(3):467-81. PMID:10091649
Page seeded by OCA on Mon Oct 29 19:22:14 2007
