TY - JOUR
T1 - Crystal Environments and Geometries of Leucine, Isoleucine, Valine, and Phenylalanine Provide Estimates of Minimum Nonbonded Contact and Preferred van der Waals Interaction Distances
AU - Gould, Robert O.
AU - Gray, Alexandra M.
AU - Taylor, Paul
AU - Walkinshaw, Malcolm D.
PY - 1985/10
Y1 - 1985/10
N2 - Minimum and optimum nonbonded contact distances have been determined for nonpolar side chains of amino acids. From the Cambridge Crystallographic Data Base, 110 crystal structures containing valine, leucine, isoleucine, or phenylalanine have been analyzed. Minimum contact distances are as follows: C.C = 3.41, C.O = 3.34, C.H = 2.68, H.O = 2.48, H.H = 2.17, all ± 0.05 A. The preferred interatomic separations are 0.3-0.5 A higher than these. Phenyl rings show preferred orientations relative both to other rings and to oxygen atoms in their environment.
AB - Minimum and optimum nonbonded contact distances have been determined for nonpolar side chains of amino acids. From the Cambridge Crystallographic Data Base, 110 crystal structures containing valine, leucine, isoleucine, or phenylalanine have been analyzed. Minimum contact distances are as follows: C.C = 3.41, C.O = 3.34, C.H = 2.68, H.O = 2.48, H.H = 2.17, all ± 0.05 A. The preferred interatomic separations are 0.3-0.5 A higher than these. Phenyl rings show preferred orientations relative both to other rings and to oxygen atoms in their environment.
UR - http://www.scopus.com/inward/record.url?scp=33845379253&partnerID=8YFLogxK
U2 - 10.1021/ja00307a016
DO - 10.1021/ja00307a016
M3 - Article
AN - SCOPUS:33845379253
SN - 0002-7863
VL - 107
SP - 5921
EP - 5927
JO - Journal of the American Chemical Society
JF - Journal of the American Chemical Society
IS - 21
ER -