The 3D‐structure of a natural inhibitor of cell adhesion molecule expression

FEBS Letters

Weber, Hans-Peter²  Oberer, Lukas³  Oberhauser, Berndt¹  Ulrich Naegeli, Hans³  Foster, Carolyn A.¹  Hommel, Ulrich³ 

[1] Sandoz Research Institute, A-1235 Vienna, Austria;Nova Research Services, CH-4143 Dornach 1, Switzerland;Sandoz Pharma AG, Preclinical Research, CH-4002 Basle, Switzerland

关键词: Conformation;    Adhesion molecules;    ICAM-1;    VCAM-1;    Nuclear magnetic resonance;    X-Ray crystallography;    DGCN;    d-2-hydroxy-4-cyanobutyric acid;    ICAM-1;    intercellular adhesion molecule-1;    MALA;    N-methylalanine;    MLEU;    N-methylleucine;    MTO;    N1′-methoxy-N-methyltryptophan;    NMR;    nuclear magnetic resonance;    NOE;    nuclear Overhauser effect;    PrLEU;    propylleucine;    ROESY;    rotating frame cross-relaxation spectroscopy;    VCAM-1;    vascular cell adhesion molecule-1;   

DOI  :  10.1016/0014-5793(95)01453-5

学科分类：生物化学/生物物理

来源: John Wiley & Sons Ltd.

【 摘 要 】

The three-dimensional structure of cyclopeptolide HUN-7293, a naturally-occurring inhibitor of cell adhesion molecule expression, has been determined from nuclear magnetic resonance data recorded in solution and from X-ray diffraction analysis of single crystals. The backbone conformation of HUN-7293 is characterized by two cis-peptide bonds in both the solution and crystalline state. Differences between the solution and crystal structure are visible for the orientation of some side chains and the strength of two transannular hydrogen bonds. Such structural information helps to provide insight into the molecular architecture of HUN-7293 on the atomic level and opens the way for structure-based modifications of this novel inhibitor of cell adhesion molecule expression.

【 授权许可】

Unknown