Solution NMR Structure of DE NOVO DESIGNED PROTEIN, P-LOOP NTPASE FOLD, Northeast Structural Genomics Consortium Target OR36

3D simutaneous 13C-aromatic,13C-aliphatic,15N edited 1H-1H NOESY

LACS offset
CACB:0.15ppm
CO:0.25ppm
HA:-0.06ppm

Role of backbone strain in de novo design of complex α/β protein structures.

Northeast Structural Genomics Consortium
Northeast Structural Genomics Consortium, N.

distance geometry, molecular dynamics, torsion angle dynamics, simulated annealing
0.71mM OR36, NMR buffer 6.5 -- 0.02% NaN3, 10mM DTT, 5mM CaCL2, 100mM NaCL, 1x Proteinase Inhibitors, 20mM MES pH 6.5, 10% D2O, 50uM DSS
0.95mM OR36, NMR buffer 6.5 -- 0.02% NaN3, 10mM DTT, 5mM CaCL2, 100mM NaCL, 1x Proteinase Inhibitors, 20mM MES pH 6.5, 10% D2O, 50uM DSS
NORTHEAST STRUCTURAL GENOMICS CONSORTIUM (NESG)
refinemen,structure solution,geometry optimization
refinement,geometry optimization,structure solution
data analysis,peak picking,chemical shift assignment
Zimmerman, Moseley, Kulikowski and Montelione
Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax
Brunger, Adams, Clore, Gros, Nilges and Read