structures with the lowest energy and least restraints violation
Representative
Model #1
lowest energy
-
Components
#1: Protein
CUGBPElav-likefamilymember2 / CELF-2 / Bruno-like protein 3 / CUG triplet repeat RNA-binding protein 2 / CUG-BP2 / CUG-BP- and ...CELF-2 / Bruno-like protein 3 / CUG triplet repeat RNA-binding protein 2 / CUG-BP2 / CUG-BP- and ETR-3-like factor 2 / ELAV-type RNA-binding protein 3 / ETR-3 / Neuroblastoma apoptosis-related RNA-binding protein / hNAPOR / RNA-binding protein BRUNOL-3
Mass: 12842.679 Da / Num. of mol.: 1 / Mutation: Y114W Source method: isolated from a genetically manipulated source Source: (gene. exp.) Homo sapiens (human) / Gene: CELF2, BRUNOL3, CUGBP2, ETR3, NAPOR / Production host: Escherichia coli (E. coli) / References: UniProt: O95319
#2: RNA chain
RNA (5'-R(*UP*UP*UP*AP*A)-3')
Mass: 1531.952 Da / Num. of mol.: 1 / Source method: obtained synthetically / Source: (synth.) Homo sapiens (human)
-
Experimental details
-
Experiment
Experiment
Method: SOLUTION NMR
NMR experiment
Conditions-ID
Experiment-ID
Solution-ID
Sample state
Spectrometer-ID
Type
1
1
1
isotropic
5
2D 1H-15N HSQC
1
2
1
isotropic
5
2D 1H-13C HSQC aliphatic
1
3
1
isotropic
5
2D 1H-13C HSQC aromatic
1
4
1
isotropic
5
3D 1H-15N NOESY
1
5
1
isotropic
5
3D 1H-13C NOESY aliphatic
1
14
2
isotropic
4
3D F1 13C-filtered 1H-1H NOESY 13C-1H HSQC aromatic
1
13
2
isotropic
5
3D F1 13C-filtered 1H-1H NOESY 13C-1H HSQC aliphatic
1
12
3
isotropic
5
natural abundance 2D 13C-1H HSQC
1
11
2
isotropic
5
2D F2 13C-filtered 1H-1H NOESY
1
10
2
isotropic
5
2D 1H-1H NOESY
1
9
2
isotropic
5
2D 1H-1H TOCSY
1
8
1
isotropic
5
3D HNHA
1
7
1
isotropic
1
2D 1H-15N HSQC long range
1
6
1
isotropic
5
3D 1H-13C NOESY aromatic
-
Sample preparation
Details
Type
Solution-ID
Contents
Details
Label
Solvent system
solution
1
0.6 mM [U-99% 13C; U-99% 15N] CUG-BP2 third RNA Recognition Motif, 1.8 mM unlabeled 5'-UUUAA-3' RNA, 95% H2O/5% D2O
CUG-BP2 RRM3 in complex with 5'-UUUAA-3' RNA; 1:3 protein:RNA ratio
13Csample1:3
95% H2O/5% D2O
solution
2
0.8 mM [U-99% 13C; U-99% 15N] CUG-BP2 third RNA Recognition Motif, 0.8 mM non-labeled 5'-UUUAA-3' RNA, 95% H2O/5% D2O
CUG-BP2 RRM3 in complex with 5'-UUUAA-3' RNA; 1:1 protein:RNA ratio
13Csample1:1
95% H2O/5% D2O
solution
3
0.8 mM [U-99% 15N] CUG-BP2 third RNA Recognition Motif, 0.8 mM non-labeled 5'-UUUAA-3' RNA, 95% H2O/5% D2O
CUG-BP2 RRM3 in complex with 5'-UUUAA-3' RNA; 1:1 protein:RNA ratio
15Nsample1:1
95% H2O/5% D2O
Sample
Conc. (mg/ml)
Component
Isotopic labeling
Solution-ID
0.6mM
CUG-BP2 third RNA Recognition Motif
[U-99% 13C; U-99% 15N]
1
1.8mM
5'-UUUAA-3' RNA
unlabeled
1
0.8mM
CUG-BP2 third RNA Recognition Motif
[U-99% 13C; U-99% 15N]
2
0.8mM
5'-UUUAA-3' RNA
non-labeled
2
0.8mM
CUG-BP2 third RNA Recognition Motif
[U-99% 15N]
3
0.8mM
5'-UUUAA-3' RNA
non-labeled
3
Sample conditions
Details: 10 mM NaCl, 20 mM K2HPO4/KH2PO4, beta-mercaptoethanol 0.1%, DEPC treated Ionic strength: 130 mM / Label: condition / pH: 5.8 Not defined / Pressure: ambient Pa / Temperature: 298 K
Conformer selection criteria: structures with the lowest energy and least restraints violation Conformers calculated total number: 50 / Conformers submitted total number: 20
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