NMR solution structure of a chymotrypsin inhibitor from the Taiwan cobra Naja naja atra
- The Taiwan cobra (Naja naja atra) chymotrypsin inhibitor (NACI) consists of 57 amino acids and is related to other Kunitz-type inhibitors such as bovine pancreatic trypsin inhibitor (BPTI) and Bungarus fasciatus fraction IX (BF9), another chymotrypsin inhibitor. Here we present the solution structure of NACI. We determined the NMR structure of NACI with a root-mean-square deviation of 0.37 Å for the backbone atoms and 0.73 Å for the heavy atoms on the basis of 1,075 upper distance limits derived from NOE peaks measured in its NOESY spectra. To investigate the structural characteristics of NACI, we compared the three-dimensional structure of NACI with BPTI and BF9. The structure of the NACI protein comprises one 310-helix, one α-helix and one double-stranded antiparallel β-sheet, which is comparable with the secondary structures in BPTI and BF9. The RMSD value between the mean structures is 1.09 Å between NACI and BPTI and 1.27 Å between NACI and BF9. In addition to similar secondary and tertiary structure, NACI might possess similar types of protein conformational fluctuations as reported in BPTI, such as Cys14–Cys38 disulfide bond isomerization, based on line broadening of resonances from residues which are mainly confined to a region around the Cys14–Cys38 disulfide bond.
Author: | Yi-Jan Lin, Teppei Ikeya, Peter GüntertORCiDGND, Long-Sen Chang |
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URN: | urn:nbn:de:hebis:30:3-314449 |
DOI: | https://doi.org/10.3390/molecules18088906 |
ISSN: | 1420-3049 |
Parent Title (English): | Molecules : a journal of synthetic chemistry and natural product chemistry |
Publisher: | Molecular Diversity Preservation International |
Place of publication: | Basel |
Document Type: | Article |
Language: | English |
Date of Publication (online): | 2013/07/29 |
Date of first Publication: | 2013/07/26 |
Publishing Institution: | Universitätsbibliothek Johann Christian Senckenberg |
Release Date: | 2013/08/19 |
Tag: | BPTI; NACI; NMR spectroscopy; NMR structure determination; Naja naja atra; chymotrypsin inhibitor; disulfide bond isomerization; snake venom |
Volume: | 18 |
Issue: | 8 |
Page Number: | 13 |
First Page: | 8906 |
Last Page: | 8918 |
Note: | Updated Version, uploaded 29 July 2013 16:46 CEST] |
Note: | © 2013 by the authors; licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution license (http://creativecommons.org/licenses/by/3.0/). |
HeBIS-PPN: | 352702664 |
Institutes: | Biochemie, Chemie und Pharmazie / Biochemie und Chemie |
Wissenschaftliche Zentren und koordinierte Programme / Frankfurt Institute for Advanced Studies (FIAS) | |
Dewey Decimal Classification: | 5 Naturwissenschaften und Mathematik / 57 Biowissenschaften; Biologie / 570 Biowissenschaften; Biologie |
5 Naturwissenschaften und Mathematik / 59 Tiere (Zoologie) / 590 Tiere (Zoologie) | |
Sammlungen: | Universitätspublikationen |
Sammlung Biologie / Sondersammelgebiets-Volltexte | |
Licence (German): | Creative Commons - Namensnennung 3.0 |