Structure 4117113

4117067 << 4117113 >> 4117143
Original COD entry Download CIF Download DOT

Citation: Nathan Collins; Judith L. Flippen-Anderson; Ronald C. Haaseth; Jeffery R. Deschamps; Clifford George; Katalin K\"ov\'er; Victor J. Hruby (1996). Conformational Determinants of Agonist versus Antagonist Properties of [d-Pen2,d-Pen5]Enkephalin (DPDPE) Analogs at Opioid Receptors. Comparison of X-ray Crystallographic Structure, Solution 1H NMR Data, and Molecular Dynamic Simulations of [l-Ala3]DPDPE and [d-Ala3]DPDPE. Journal of the American Chemical Society, 118, pp. 2143-2152.

Formula: C31 H61 N5 O17 S2

Chemical name: Tyr-cyclo[D-Pen-D-Ala-Phe-D-Pen]

Cell parameters:

  • a = 12.271(2) Å
  • b = 9.600(2) Å
  • c = 18.750(4) Å
  • α = 90.00°
  • β = 103.56(2)°
  • γ = 90.00°

List type: noninterleaving

List: 1D

Combined 3D structure and graph

span 1 {1 1 1}
Ctrl-click to select multiple nodes

JSmol combined CIF view

Linear Graph Knot

Molecules

CIF datablock 2, entity 3 of 1

Basis: (0;1;0)

Dimensionality: 1

Formula: O28 (O)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 3, 3, 5, 4, 5, 3, 5, 6
  • 2, 4, 2, 5, 5, 4, 5, 6, 3, 5
  • 2, 4, 5, 5, 4, 4, 6, 4, 5, 5
  • 3, 3, 3, 5, 4, 5, 3, 5, 6, 5
  • 3, 4, 4, 3, 6, 6, 4, 4, 5, 3
  • 3, 4, 4, 5, 4, 5, 5, 4, 4, 6
  • 3, 6, 5, 4, 4, 5, 4, 6, 5, 4
  • 4, 3, 3, 5, 5, 5, 5, 5, 3, 5
  • 4, 3, 4, 5, 5, 3, 5, 5, 5, 5
  • 4, 4, 5, 4, 6, 5, 4, 4, 5, 4
  • 4, 4, 5, 6, 3, 5, 5, 4, 5, 6
  • 4, 5, 3, 5, 6, 5, 4, 5, 3, 5
  • 4, 5, 5, 4, 5, 3, 5, 6, 5, 4
  • 5, 3, 5, 5, 4, 5, 6, 3, 5, 5
span 1 {1 1 1}