Detailed Information on Publication Record
2021
4D-CHAINS
EVANGELIDIS, Thomas and Konstantinos TRIPSIANESBasic information
Original name
4D-CHAINS
Authors
EVANGELIDIS, Thomas (300 Greece, belonging to the institution) and Konstantinos TRIPSIANES (300 Greece, guarantor, belonging to the institution)
Edition
2021
Other information
Language
English
Type of outcome
Software
Field of Study
10608 Biochemistry and molecular biology
Country of publisher
Czech Republic
Confidentiality degree
není předmětem státního či obchodního tajemství
References:
RIV identification code
RIV/00216224:14740/21:00133155
Organization unit
Central European Institute of Technology
Keywords in English
protein;NMR;assignment;structure;
Technical parameters
Software licencovaný firmě AIffinity (www.aiffinity.cz, IČO 11992719), licenční smlouva uzavřená dne 20.10.2021.
Tags
Změněno: 5/3/2024 10:46, Mgr. Eva Dubská
Abstract
V originále
Automated methods for NMR structure determination of proteins are continuously becoming more robust. However, current methods addressing larger, more complex targets rely on analyzing 6–10 complementary spectra, suggesting the need for alternative approaches. Here, we describe 4D-CHAINS/autoNOE-Rosetta, a complete pipeline for NOE-driven structure determination of medium- to larger-sized proteins. The 4D-CHAINS algorithm analyzes two 4D spectra recorded using a single, fully protonated protein sample in an iterative ansatz where common NOEs between different spin systems supplement conventional through-bond connectivities to establish assignments of sidechain and backbone resonances at high levels of completeness and with a minimum error rate. The 4D-CHAINS assignments are then used to guide automated assignment of long-range NOEs and structure refinement in autoNOE-Rosetta. Our results on four targets ranging in size from 15.5 to 27.3 kDa illustrate that the structures of proteins can be determined accurately and in an unsupervised manner in a matter of days.
Links
| MUNI/E/0086/2017, interní kód MU |
|