1XY8

NMR strcutre of sst1-selective somatostatin (SRIF) analog 1

1XY8 の概要

• エントリーDOI: 10.2210/pdb1xy8/pdb
• 関連するPDBエントリー: 1XXZ 1XY4 1XY5 1XY6 1XY9
• NMR情報: BMRB: 6425
• 分子名称: SST1-selective somatosatin analog (1 entity in total)
• 機能のキーワード: gamma turn, hormone-growth factor complex, hormone/growth factor
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 1689.03

構造登録者

Grace, C.R.R.,Durrer, L.,Koerber, S.C.,Erchegyi, J.,Reubi, J.C.,Rivier, J.E.,Riek, R. (登録日: 2004-11-09, 公開日: 2005-02-15, 最終更新日: 2026-03-18)

主引用文献

Grace, C.R.R.,Durrer, L.,Koerber, S.C.,Erchegyi, J.,Reubi, J.C.,Rivier, J.E.,Riek, R.
Somatostatin receptor 1 selective analogues: 4. Three-dimensional consensus structure by NMR
J.Med.Chem., 48:523-533, 2005

PubMed Abstract: The three-dimensional NMR structures of six analogues of somatostatin (SRIF) are described. These analogues with the amino acid 4-(N-isopropyl)-aminomethylphenylalanine (IAmp) at position 9 exhibit potent and highly selective binding to human SRIF subtype 1 receptors (sst(1)). The conformations reveal that the backbones of these analogues have a hairpin-like structure similar to the sst(2)-subtype-selective analogues. This structure serves as a scaffold for retaining a unique arrangement of the side chains of d-Trp(8), IAmp(9), Phe(7), and Phe(11) or m-I-Tyr(11) (m-I-Tyr = mono-iodo-tyrosine). The conformational preferences and results from biological analyses of these analogues(1,2) allow a detailed study of the structure-activity relationship of SRIF. The proposed consensus pharmacophore of the sst(1)-selective analogues requires a unique set of distances between an indole/2-naphthyl ring, an IAmp side chain, and two aromatic rings. This motif is necessary and sufficient to explain the binding affinities of all of the analogues studied and is distinct from the existing models suggested for sst(4) as well as sst(2)/sst(5) selectivity.

PubMed: 15658866
DOI: 10.1021/jm049518u

実験手法

SOLUTION NMR