THE POTENTIAL-ENERGY SURFACE OF METHYL O-(ALPHA-D-MANNOPYRANOSYL)-ALPHA-D-MANNOPYRANOSIDE IN AQUEOUS-SOLUTION - CONCLUSIONS DERIVED FROM OPTICAL-ROTATION
Es. Stevens, THE POTENTIAL-ENERGY SURFACE OF METHYL O-(ALPHA-D-MANNOPYRANOSYL)-ALPHA-D-MANNOPYRANOSIDE IN AQUEOUS-SOLUTION - CONCLUSIONS DERIVED FROM OPTICAL-ROTATION, Biopolymers, 34(10), 1994, pp. 1403-1407
The optical rotation of methyl O-(alpha-D-mannopyranosyl)-alpha-D-mann
opyranoside is calculated semiempirically as a function of the linkage
dihedral angles phi (H1-C1-O1-C2') and psi (C1-O1-C2'-H2'). Although
the rotation calculated for the global energy minimum conformation fou
nd in several rigid-residue modeling calculations (phi,psi = -40 degre
es,-20 degrees) is in good agreement with the observed solution rotati
on, the observed rotation is also compatible with the limited flexibil
ity inferred from more recent relaxed residue modeling calculations on
a structurally related rhamnose disaccharide (C) 1994 John Wiley and
Sons, Inc.