STRUCTURE OF TERT-BUCO-GLY-GLY-PSI[CH2-N+H2]NHET.BPH-4

被引：4

作者：

ELMASDOURI, L ^{[1
]}

AUBRY, A ^{[1
]}

GRAND, V ^{[1
]}

MARRAUD, M ^{[1
]}

机构：

[1] ECOLE NATL SUPER IND CHIM,INST NATL POLYTECH LORRAINE,CHIM PHYS MACROMOLEC LAB,CNRS,UA 494,F-54001 NANCY,FRANCE

来源：

ACTA CRYSTALLOGRAPHICA SECTION C-CRYSTAL STRUCTURE COMMUNICATIONS | 1992年 / 48卷 / 01期

关键词：

D O I：

10.1107/S0108270191008107

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

N-(tert-Butylcarbonylglycylaminoethyl)-N-(ethyl)ammonium tetraphenylborate, C11H24N3O2+C24H20B, M(r) = 549.57, triclinic, P1BAR, a = 11.567 (2), b = 11.922 (2), c = 14.484 (3) angstrom, alpha = 70.99 (2), beta = 74.83 (2), gamma = 59.33 (1)-degrees, V = 1613.1 angstrom 3, Z = 2, D(x) = 1.13 g cm-3, lambda(Cu K-alpha) = 1.5418 angstrom, mu = 4.69 cm-1, mu-R(max) << 1, F(000) - 592, T = 293 K, R = 0.058 for 3491 observed reflections. This pseudopeptide is folded by a short N'-H...O = C hydrogen bond (N3...O1 = 2.81 angstrom) which closes a ten-membered ring. This results in a beta-turn structure that can be classified as type II on the basis of the conformational angles for the N-terminal glycine. The conformational angles-phi(1), psi(1), phi(2) and psi(2) are -53.4 (6), 139.7 (4), 91.5 (5) and -62.6 (6)-degrees respectively.

引用

页码：173 / 175

页数：3

共 8 条

[1] GLYCINE AND BETA-FOLDING IN PEPTIDES - CRYSTAL-STRUCTURES OF 2 GLY-GLY AND ALA-GLY MODEL DIPEPTIDES [J].

AUBRY, A ;

LECOMTE, C ;

BOUSSARD, G ;

MARRAUD, M .

JOURNAL DE CHIMIE PHYSIQUE ET DE PHYSICO-CHIMIE BIOLOGIQUE, 1983, 80 (7-8) :609-614

[2]

ELMASDOURI L, 1988, INT J PEPT PROT RES, V31, P420

[3]

JOHNSON CK, 1965, ORNL3794 REP

[4]

MAIN P, 1980, MULTAN SYSTEM COMPUT

[5]

SHELDRICK GM, 1976, SHELX PROGRAM CRYSTA

[6] COMPARISON OF X-RAY AND NEUTRON-DIFFRACTION RESULTS FOR THE N-H...O=C HYDROGEN-BOND [J].

TAYLOR, R ;

KENNARD, O .

ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE, 1983, 39 (FEB) :133-138

[7]

1984, INT J PEPT PROT RES, V24, P9

[8]

1970, BIOCHEMISTRY-US, V9, P3471

← 1 →