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Solution structure of endothelin B receptor selective antagonist RES-701-1 determined by 1H NMR spectroscopy.

Abstract：

:The three-dimensional structure of the endothelin B receptor (ETB) selective antagonist RES-701-1 has been determined by 1H NMR in deuterated dimethyl sulphoxide. RES-701-1 consists of 16 amino acid residues with a novel internal linkage between the beta-carboxyl group of Asp9 and the alpha-amino group of Gly1. The structural calculations were carried out with the combined use of distance geometry and simulated annealing. The result indicates that RES-701-1 adopts an extraordinary folding; the 'tail' (Trp10-Trp16) passes through the 'ring' region (Gly1-Asp9). Several critical NOEs directly support this extraordinary folding. The folding of RES-701-1 turned out to be the same as that Frèchet et al. calculated for RP 71955 which possesses the same internal linkage as RES-701-1. The obtained structure suggested that the region consisting of Thr6, Ala7, Tyr14 and Tyr15 and/or, the region consisting of Asn2, Tyr14 and Tyr15 are involved in a binding with ETB.

journal_name

Bioorg Med Chem

journal_title

Bioorganic & medicinal chemistry

authors

Katahira R,Shibata K,Yamasaki M,Matsuda Y,Yoshida M

doi

10.1016/0968-0896(95)00122-w

subject

Has Abstract

pub_date

1995-09-01 00:00:00

pages

1273-80

issue

9

eissn

0968-0896

issn

1464-3391

pii

096808969500122W

journal_volume

3

pub_type

杂志文章

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