wwPDB validation report of PDB entry 2LTS

Solution structure of RDE-4(150-235) containing linker and dsRBD2

Backbone and stereo-specific Ile(d1), Leu, Val methyl sidechain chemical shift assignments of RDE-4 (1-243)

[U-100% 15N; U-100% 2H] RDE-4DC with [U-100% 13C-methyl] Val, Leu, and Ile (d1) and [U-100% 1H] Ile, Leu, Val and Phe

[U-100% 15N; U-100% 2H] RDE-4DC with [U-100% 13C-methyl] Val, Leu, and Ile (d1) and [U-100% 1H] Ile, Leu, Val and Tyr

THE PROTEIN USED IN THIS STUDY (UNP RESIDUES 1-243) IS A FRAGMENT OF RDE-4, AN RNAI INITIATOR PROTEIN IN C. ELEGANS. IT CONSISTS OF FOUR REGIONS, WHICH ARE THE N-TERMINAL REGION (1-43), DSRBD1 (44-107), LINKER (108-168), AND DSRBD2 (169-235). IN THE COURSE OF ASSIGNMENTS AND STRUCTURE CALCULATION, A PART OF THE LINKER (RESIDUES 126-149) IS FOUND TO BE HIGHLY FLEXIBLE. NO SPATIAL INTER-DOMAIN CONTACTS WERE OBSERVED BETWEEN THE TWO DSRBDS. THEREFORE, SOLUTION STRUCTURES OF DSRBD1 AND DSRBD2 WERE CALCULATED SEPARATELY. FOR 2LTR, RIGID PART OF N-TERMINAL REGION (32-43), DSRBD1 (44-107) AND LINKER REGION (108-136) WERE USED TO CALCULATE THE FINAL STRUCTURES, WHEREAS FOR 2LTS, RIGID PART OF THE LINKER (150-168) AND DSRBD2 (169-235) WERE CHOSEN FOR THE CALCULATION OF THE FINAL STRUCTURES. THE RELATIVE ORIENTATION BETWEEN TWO STRUCTURES COULD NOT BE DETERMINED DUE TO THE FLEXIBLE NATURE OF THE LINKER.

Schwieters, Kuszewski, Tjandra and Clore

geometric validation package for ligand chemistry in protein x-ray structures

assessment of nmr assigned chemical shifts

geometric validation of nmr ensemble structure

20191225.v01 (using entries in the PDB archive December 25th 2019)

domain identification of nmr ensemble structure

classification of nmr ensemble structure

nmr chemical shift validation and reference correction

random coil index prediction from nmr chemical shifts