2CDX: STRUCTURE OF COBRA CARDIOTOXIN CTXI AS DERIVED FROM NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY AND DISTANCE GEOMETRY CALCULATIONS

Citation:
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.
PDB ID: 2CDXDownload
MMDB ID: 57915
PDB Deposition Date: 1994/9/6
Updated in MMDB: 2017/12
Experimental Method:
solution nmr
Source Organism:
Similar Structures:
Biological Unit for 2CDX: monomeric; determined by author
Molecular Components in 2CDX
Label Count Molecule
Protein (1 molecule)
1
Cardiotoxin CTX I
Molecule annotation
* Click molecule labels to explore molecular sequence information.

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