TY  - JOUR
A1  - Lin, Yi-Jan
A1  - Ikeya, Teppei
A1  - Güntert, Peter
A1  - Chang, Long-Sen
T1  - NMR solution structure of a chymotrypsin inhibitor from the Taiwan cobra Naja naja atra
T2  - Molecules : a journal of synthetic chemistry and natural product chemistry
N2  - 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.
KW  - Naja naja atra
KW  - snake venom
KW  - chymotrypsin inhibitor
KW  - NACI
KW  - BPTI
KW  - NMR spectroscopy
KW  - NMR structure determination
KW  - disulfide bond isomerization
Y1  - 2013
UR  - http://publikationen.ub.uni-frankfurt.de/frontdoor/index/index/docId/31444
UR  - https://nbn-resolving.org/urn:nbn:de:hebis:30:3-314449
SN  - 1420-3049
N1  - Updated Version, uploaded 29 July 2013 16:46 CEST]
N1  - © 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/).
VL  - 18
IS  - 8
SP  - 8906
EP  - 8918
PB  - Molecular Diversity Preservation International
CY  - Basel
ER  -