التفاصيل البيبلوغرافية
| العنوان: |
DETERMINING CRITICAL AMINO ACID CONTACTS FOR KNOTTED PROTEIN FOLDING |
| المؤلفون: |
PAWEL DABROWSKI-TUMANSKI, SZYMON NIEWIECZERZAL, JOANNA I. SULKOWSKA |
| المصدر: |
TASK Quarterly, Vol 18, Iss 3 (2014) |
| بيانات النشر: |
Gdańsk University of Technology, 2014. |
| سنة النشر: |
2014 |
| المجموعة: |
LCC:Information technology |
| مصطلحات موضوعية: |
knotted protein, slipknot, 2efv folding, contact map, native, non-native, Information technology, T58.5-58.64 |
| الوصف: |
Proteins with a non-trivial topological structure are currently well recognized, while a knotted protein chain represents a new motif in protein three dimensional folds. Recent comprehensive analysis of the Protein Data Base shows that knotted proteins represent 1.5% of known protein structures. Determination of a free energy landscape of knotted proteins, and its understanding provides a serious challenge for both experimentalists and theoreticians. Moreover the role of a knot for biological activity of protein still remains elusive. In this work we study the smallest knotted proteins (PDB code 2efv) to understand/investigate their free energy landscape, by means of extensive molecular dynamics simulations. We explore the dependence of the thermodynamics, kinetics and protein folding pathways on the native-likes contact maps and on the length of the chain. We analyze two sets of native-like contacts, which differ by a number of long range interactions, and we consider the 2efv protein with two different lengths of its C-terminus end. We identify the subset of native contacts sufficient to explore the entire free energy landscape. Then, we analyze the influence of the remaining set of native contacts – we show that the set of additional contacts may enhance folding kinetics, and that it has an influence on folding pathways. |
| نوع الوثيقة: |
article |
| وصف الملف: |
electronic resource |
| اللغة: |
English |
| تدمد: |
1428-6394 |
| Relation: |
https://journal.mostwiedzy.pl/TASKQuarterly/article/view/1909; https://doaj.org/toc/1428-6394 |
| DOI: |
10.17466/TQ2014/18.3/T |
| URL الوصول: |
https://doaj.org/article/7b7d7f4c50224cb4a4e70a71788d31f6 |
| رقم الانضمام: |
edsdoj.7b7d7f4c50224cb4a4e70a71788d31f6 |
| قاعدة البيانات: |
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