SOLUTION STRUCTURE OF ORYZACYSTATIN-I, A CYSTEINE PROTEINASE INHIBITOR OF THE RICE, ORYZA SATIVA L. JAPONICA
Three-dimensional solution structure of oryzacystatin-I, a cysteine proteinase inhibitor of the rice, Oryza sativa L. japonica.
MSSDGGPVLGGVEPVGNENDLHLVDLARFAVTEHNKKANSLLEFEKLVSVKQQVVAGTLYYFTIEVKEGDAKKLYEAKVW EKPWMDFKELQEFKPVDASANA
The structure was determined using 1H and 15N NMR spectroscopy.
structures with favorable non-bond energy
A total of 1383 restraints, consisting of 1183 interproton distance restraints (338 long-range (|i - j| >= 6), 228 medium-range (2 <= |i - j| <= 5), 351 sequential (|i - j| = 1) and 266 intraresidual (|i - j| = 0)), 108 hydrogen bond restraints (representing 54 hydrogen bonds) and 92 torsion angle restraints (54 phi and 38 chi1), were used in the structure calculations by torsion angle dynamics using DYANA (ver. 1.4). A final set of 20 structures was selected from 100 calculations on the basis of agreement with the experimental data and van der Waals' energy. The average coordinates of the 20 DYANA structures were subjected to energy-minimization using CNS (ver. 0.9).
3 mM oryzacystatin-I; 50 mM sodium phosphate/100 mM NaCl/0.02% NaN3, pH 6.8; 10% D2O/90% H2O
2 mM oryzacystatin-I U-15N; 50 mM sodium phosphate/100 mM NaCl/0.02% NaN3, pH 6.8; 10% D2O/90% H2O
alpha and beta proteins, cystatin-like fold, cystatin/monellin superfamily, phytocystatin family, HYDROLASE INHIBITOR