Solution Structure of a Novel Chromoprotein Derived from Apo-Neocarzinostatin and a Synthetic Chromophore

2-HYDROXY-7-METHOXY-5-METHYL-NAPHTHALENE-1-CARBOXYLIC ACID MESO-2,5-DIHYDROXY-CYCLOPENT-3-ENYL ESTER

HHHHHHLQGAAPTATVTPSSGLSDGTVVKVAGAGLQAGTAYDVGQCAWVDTGVLACNPADFSSVTADANGSASTSLTVRR
SFEGFLFDGTRWGTVDCTTAACQVGLSDAAGNGPEGVAISFN

structures with favorable non-bond energy

RESTRAINTS FOR STRUCTURE CALCULATION: INTERMOLECULAR NOES 20, INTRARESIDUE NOES 173, SEQUENTIAL NOES (I, I + 1) 227, MEDIUM-RANGE NOES (I, I+2 - I+4) 115, LONG-RANGE NOES (I, I>5) 295, PSI ANGLE RESTRAINTS 39, HYDROGEN BONDS 74, DISULPHIDE BONDS 12.
Simulated annealing with torsion angle dynamics

1.0 mM u-15N 1, 1.0 mM 2, 25 mM phosphate pH 5.0, 0.1 mM TSP, 0.005% sodium azide w/v

Delaglio, F., Grzesiek, S., Vuister, G. W., Zhu, G., Pfeifer, J., and Bax, A.

Bartels, C., Xia, T. H., Billeter, M., Guntert, P., and Wurthrich, K.

Beta sandwich, IgG fold, Chromophore, ligand, ANTIBIOTIC

AAPTATVTPSSGLSDGTVVKVAGAGLQAGTAYDVGQCAWVDTGVLACNPADFSSVTADANGSASTSLTVRRSFEGFLFDG
TRWGTVDCTTAACQVGLSDAAGNGPEGVAISFN