2CDX

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

Summary for 2CDX

• Entry DOI: 10.2210/pdb2cdx/pdb
• Descriptor: CARDIOTOXIN CTX I (1 entity in total)
• Functional Keywords: cardiotoxin
• Biological source: Naja atra (Chinese cobra)
• Cellular location: Secreted : P60304
• Total number of polymer chains: 1
• Total formula weight: 6711.23

Authors

Jahnke, W.,Mierke, D.F.,Beress, L.,Kessler, H. (deposition date: 1994-09-06, release date: 1994-11-30, Last modification date: 2017-11-29)

Primary citation

Jahnke, W.,Mierke, D.F.,Beress, L.,Kessler, H.
Structure of cobra cardiotoxin CTX I as derived from nuclear magnetic resonance spectroscopy and distance geometry calculations.
J.Mol.Biol., 240:445-458, 1994

PubMed 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.

PubMed: 8046750
DOI: 10.1006/jmbi.1994.1460

Experimental method

SOLUTION NMR