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Structure of cobra cardiotoxin CTX I as derived from nuclear magnetic resonance spectroscopy and distance geometry calculations.

Abstract：

:The structure of cardiotoxin CTX I from Naja naja atra has been investigated by NMR spectroscopy. Sequence specific resonance assignments have been obtained for all backbone protons as well as for most side-chain protons. Distance geometry calculations were carried out using a metric matrix DG program. A total of 715 NOE constraints, 27 phi angle constraints and a list of the hydrogen bond donors were used for the metric matrix DG calculations and refinement. The average pairwise r.m.s.d. of the resulting structures was 1.01 A for the backbone heavy atoms, and 1.69 A for all heavy atoms. The protein is rich in beta structure and consists of a large triple-stranded, antiparallel beta sheet as well as a short double-stranded, antiparallel beta sheet. Non-regular hydrogen bonding is found between side-chains of the carboxy-terminal end and the rest of the core region. The structure is discussed in terms of evolutionary aspects as well as recent investigations about the biological function and active site.

journal_name

J Mol Biol

journal_title

Journal of molecular biology

authors

Jahnke W,Mierke DF,Béress L,Kessler H

doi

10.1006/jmbi.1994.1460

subject

Has Abstract

pub_date

1994-07-29 00:00:00

pages

445-58

issue

5

eissn

0022-2836

issn

1089-8638

pii

S0022-2836(84)71460-4

journal_volume

240

pub_type

杂志文章

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