2M99

Solution structure of a chymotrypsin inhibitor from the Taiwan cobra

2M99 の概要

• エントリーDOI: 10.2210/pdb2m99/pdb
• NMR情報: BMRB: 19287
• 分子名称: Protease inhibitor NACI (1 entity in total)
• 機能のキーワード: naja naja atra, chymotrypsin inhibitor, naci, hydrolase inhibitor
• 由来する生物種: Naja atra (Taiwan cobra)
• 細胞内の位置: Secreted (By similarity): Q5ZPJ7
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 6397.06

構造登録者

Lin, Y.-J.,Ikeya, T.,Guntert, P.,Chang, L.-S. (登録日: 2013-06-05, 公開日: 2013-10-16, 最終更新日: 2024-10-16)

主引用文献

Lin, Y.J.,Ikeya, T.,Guntert, P.,Chang, L.S.
NMR solution structure of a Chymotrypsin inhibitor from the Taiwan cobra Naja naja atra.
Molecules, 18:8906-8918, 2013

PubMed Abstract: 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.

PubMed: 23896616
DOI: 10.3390/molecules18088906

実験手法

SOLUTION NMR