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Conformation of cyclic analogs of enkephalin. III. Effect of varying ring size
Author(s) -
Hall David,
Pavitt Nicola
Publication year - 1985
Publication title -
biopolymers
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.556
H-Index - 125
eISSN - 1097-0282
pISSN - 0006-3525
DOI - 10.1002/bip.360240603
Subject(s) - chemistry , enkephalin , ring (chemistry) , ring size , molecular mechanics , stereochemistry , crystallography , computational chemistry , molecular dynamics , biochemistry , organic chemistry , receptor , opioid
A comparative study has been made using molecular mechanics of the ring entity of the active enkephalin analogs, Tyr‐ cyclo (‐ N ω ‐ D ‐XXX‐Gly‐Phe‐Leu‐), where XXX is variously A 2 pr, A 2 bu, and Orn. Several conformations are favored for all three, and the lower‐energy models are compatible with a Gly 3 ‐Phe 4 bend in the active form of enkephalin. Some difficulties in assuming standard geometries in conformational surveys are illustrated.