Thioredoxin glutathione reductase of Schistosoma mansoni fragment screen hit 4.

2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.

Fragment library screening by X-ray crystallography and binding site analysis on thioredoxin glutathione reductase of Schistosoma mansoni.

0.1 M Calcium chloride dihydrate, 0.1 M Magnesium chloride hexahydrate, 0.1 M PIPES pH 7.0 and 22.5 % v/v PEG Smear Medium

Medical Research Council (MRC, United Kingdom)

REMARK 350
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC
REMARK 350 SOFTWARE USED: PISA v1.52 [20/10/2014]
REMARK 350 TOTAL BURIED SURFACE AREA: 10430 ANGSTROM**2
REMARK 350 SURFACE AREA FOR THE COMPLEX: 47630 ANGSTROM**2
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -74 KCAL/MOL
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A
REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000
REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000
REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000
REMARK 350 IN ADDITION APPLY THE FOLLOWING TO CHAINS: B
REMARK 350 BIOMT1 2 -1.000000 0.000000 0.000000 1.00000
REMARK 350 BIOMT2 2 0.000000 1.000000 0.000000 -0.50000
REMARK 350 BIOMT3 2 0.000000 0.000000 -1.000000 1.00000

Bi-functional, Oxidoreductase, Homodimer, FLAVOPROTEIN