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Title 

STAP refinement of the NMR database: a database of 2405 refined solution NMR structures

 

STAP NMR 구조개선 데이타베이스

Authors 

Joshua YangJihan KimSang Ho OhGukjeong HanSanghyuk LeeJinhyuk Lee

Publisher 

Oxford University Press

Issue Date 

2012

Citation 

Nucleic Acids Research, vol. 40, no. D, pp. D525-D530

Abstract 

According to several studies, some nuclear magnetic resonance (NMR) structures are of lower quality, less reliable and less suitable for structural analysis than high-resolution X-ray crystallographic structures. We present a public database of 2405 refined NMR solution structures [statistical torsion angle potentials (STAP) refinement of the NMR database, http://psb.kobic.re.kr/STAP/refinement] from the Protein Data Bank (PDB). A simulated annealing protocol was employed to obtain refined structures with target potentials, including the newly developed STAP. The refined database was extensively analysed using various quality indicators from several assessment programs to determine the nuclear Overhauser effect (NOE) completeness, Ramachandran appearance, χ1-χ2 rotamer normality, various parameters for protein stability and other indicators. Most quality indicators are improved in our protocol mainly due to the inclusion of the newly developed knowledge-based potentials. This database can be used by the NMR structure community for further development of research and validation tools, structure-related studies and modelling in many fields of research.

ISSN 

0305-1048

Link 

http://dx.doi.org/10.1093/nar/gkr1021

Appears in Collections

1. Journal Articles > Journal Articles

Registered Date

2017-04-19


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