BMRB Entry 52045

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR52045
MolProbity Validation Chart

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Title:
1H, 13C, 15N and 31P chemical shift assignment of poly(UG) fold RNA
Deposition date:
2023-07-18
Original release date:
2023-11-11
Authors:
Escobar, Cristian; Petersen, Riley; Tonelli, Marco; Butcher, Samuel
Citation:

Citation: Escobar, Cristian; Petersen, Riley; Tonelli, Marco; Fan, Lixin; Henzler-Wildman, Katherine; Butcher, Samuel. "Solution Structure of Poly(UG) RNA"  J. Mol. Biol. 435, 168340-168340 (2023).
PubMed: 37924862

Assembly members:

Assembly members:
entity_1, polymer, 24 residues, 7750 Da.

Natural source:

Natural source:   Common Name: not available   Taxonomy ID: not available   Superkingdom: not available   Kingdom: not available   Genus/species: not available not available

Experimental source:

Experimental source:   Production method: enzymatic semisynthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: GUGUGUGUGUGUGUGUGUGU GUGU

Data sets:
Data typeCount
13C chemical shifts194
15N chemical shifts72
1H chemical shifts222
31P chemical shifts23

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
  • Hide all

Assembly:

Entity Assembly IDEntity NameEntity ID
1(GU)121

Entities:

Entity 1, (GU)12 24 residues - 7750 Da.

1   GUGUGUGUGU
2   GUGUGUGUGU
3   GUGU

Samples:

sample_1: (GU)12 400 uM; D2O, [U-2H], 10%; H2O 90%; DSS 20 uM; potassium chloride 150 mM; HEPES 50 mM

sample_2: (GU)12 400 uM; D2O, [U-2H], 100%; DSS 20 uM; potassium chloride 150 mM; HEPES 50 mM

sample_3: (GU)12, [U-13C; U-15N]-Gua, 350 uM; D2O, [U-2H], 10%; DSS 20 uM; H2O 90%; potassium chloride 100 mM; potassium phosphate 20 mM

sample_4: (GU)12, [U-13C; U-15N]-Gua, 350 uM; D2O, [U-2H], 100%; DSS 20 uM; potassium chloride 100 mM; potassium phosphate 20 mM

sample_5: (GU)12, [U-13C; U-15N]-Ura, 200 uM; D2O, [U-2H], 10%; DSS 20 uM; H2O 90%; potassium chloride 100 mM; potassium phosphate 20 mM

sample_6: (GU)12, [U-13C; U-15N]-Ura, 200 uM; D2O, [U-2H], 100%; DSS 20 uM; potassium chloride 100 mM; potassium phosphate 20 mM

sample_7: (GU)11.5 500 uM; D2O, [U-2H], 100%; DSS 20 uM; potassium chloride 100 mM; potassium phosphate 20 mM

sample_8: (GU)12-dG1 350 uM; D2O, [U-2H], 100%; DSS 20 uM; potassium chloride 100 mM; potassium phosphate 20 mM

sample_9: (GU)12-dU2 770 uM; D2O, [U-2H], 100%; DSS 20 uM; potassium chloride 100 mM; potassium phosphate 20 mM

sample_10: (GU)12-dG3 380 uM; D2O, [U-2H], 100%; DSS 20 uM; potassium chloride 100 mM; potassium phosphate 20 mM

sample_11: (GU)12-dU4 270 uM; D2O, [U-2H], 100%; DSS 20 uM; potassium chloride 100 mM; potassium phosphate 20 mM

sample_12: (GU)12-dG5 190 uM; D2O, [U-2H], 100%; DSS 20 uM; potassium chloride 100 mM; potassium phosphate 20 mM

sample_13: (GU)12-dU6 210 uM; D2O, [U-2H], 100%; DSS 20 uM; potassium chloride 100 mM; potassium phosphate 20 mM

sample_conditions_1: pH: 7.0; temperature: 293 K

sample_conditions_2: pH: 7.0; temperature: 276 K

Experiments:

NameSampleSample stateSample conditions
1D 1Hsample_1isotropicsample_conditions_1
1D 31Psample_5isotropicsample_conditions_1
3D H,H,C NOESY-1H,13C-HSQC sensitivity-enhancedsample_5isotropicsample_conditions_1
3D H,H,C NOESY-1H,13C-HSQC sensitivity-enhanced CC decoupledsample_5isotropicsample_conditions_1
2D H,H NOESY-1H,15N-HSQCsample_5isotropicsample_conditions_1
2D H,N HCN BESTsample_5isotropicsample_conditions_1
2D 1H-13C HSQC sensitivity-enhanced CC decoupledsample_5isotropicsample_conditions_1
2D 1H-15N HSQC long-rangesample_5isotropicsample_conditions_1
2D 1H-13C HSQC sensitivity-enhanced CC decoupledsample_5isotropicsample_conditions_1
2D 1H-15N HSQC BESTsample_5isotropicsample_conditions_1
3D H,H,C NOESY-1H,13C-HSQC sensitivity-enhancedsample_6isotropicsample_conditions_1
3D H,H,C NOESY-1H,13C-HSQC sensitivity-enhanced CC decoupledsample_6isotropicsample_conditions_1
3D H,H,C 13C-filtered NOESY-1H,13C-HSQC sensitivity-enhanced CC decoupledsample_6isotropicsample_conditions_1
3D H,H,C 13C-filtered NOESY-1H,13C-HSQC sensitivity-enhancedsample_6isotropicsample_conditions_1
3D HC(C)H-TOCSYsample_6isotropicsample_conditions_1
3D HC(C)H-COSYsample_6isotropicsample_conditions_1
2D 1H-13C HSQC constant-timesample_6isotropicsample_conditions_1
3D HCP sensitivity-enhancedsample_6isotropicsample_conditions_1
3D H,H,C NOESY-1H,13C-HSQC sensitivity-enhancedsample_3isotropicsample_conditions_1
3D H,H,C NOESY-1H,13C-HSQC sensitivity-enhancedsample_3isotropicsample_conditions_1
2D H,H NOESY-1H,15N-HSQCsample_3isotropicsample_conditions_1
2D H,N HCN BESTsample_3isotropicsample_conditions_1
2D 1H-13C HSQC sensitivity-enhanced CC decoupledsample_3isotropicsample_conditions_1
2D 1H-15N HSQC long-rangesample_3isotropicsample_conditions_1
2D 1H-13C HSQC sensitivity-enhancedsample_3isotropicsample_conditions_1
2D 1H-15N HSQC BESTsample_3isotropicsample_conditions_1
3D H,N,N NOESY-1H,15N-HSQCsample_3isotropicsample_conditions_2
2D 1H-15N HSQC BESTsample_3isotropicsample_conditions_2
2D 1H-13C HSQC sensitivity-enhancedsample_3isotropicsample_conditions_2
2D 1H-13C HSQC constant-timesample_3isotropicsample_conditions_2
3D H,H,C NOESY-1H,13C-HSQC sensitivity-enhancedsample_4isotropicsample_conditions_1
3D H,H,C NOESY-1H,13C-HSQC sensitivity-enhancedsample_4isotropicsample_conditions_1
3D H,H,C 13C-filtered NOESY-1H,13C-HSQC sensitivity-enhancedsample_4isotropicsample_conditions_1
3D H,H,C 13C-filtered NOESY-1H,13C-HSQC sensitivity-enhancedsample_4isotropicsample_conditions_1
3D HC(C)H-TOCSYsample_4isotropicsample_conditions_1
3D HC(C)H-COSYsample_4isotropicsample_conditions_1
2D 1H-13C HSQC constant-timesample_4isotropicsample_conditions_1
3D HCP sensitivity-enhancedsample_4isotropicsample_conditions_1
2D 1H-1H NOESYsample_4isotropicsample_conditions_1
2D 1H-1H NOESYsample_4isotropicsample_conditions_1
2D 1H-1H TOCSYsample_4isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_7isotropicsample_conditions_1
2D 1H-1H TOCSYsample_7isotropicsample_conditions_1
2D 1H-1H NOESYsample_7isotropicsample_conditions_2
2D 1H-1H TOCSYsample_7isotropicsample_conditions_2
2D 1H-1H NOESYsample_8isotropicsample_conditions_1
2D 1H-1H TOCSYsample_8isotropicsample_conditions_1
2D 1H-1H NOESYsample_8isotropicsample_conditions_2
2D 1H-1H TOCSYsample_8isotropicsample_conditions_2
2D 1H-1H NOESYsample_9isotropicsample_conditions_1
2D 1H-1H TOCSYsample_9isotropicsample_conditions_1
2D 1H-1H NOESYsample_9isotropicsample_conditions_2
2D 1H-1H TOCSYsample_9isotropicsample_conditions_2
2D 1H-1H NOESYsample_10isotropicsample_conditions_1
2D 1H-1H TOCSYsample_10isotropicsample_conditions_1
2D 1H-1H NOESYsample_10isotropicsample_conditions_2
2D 1H-1H TOCSYsample_10isotropicsample_conditions_2
2D 1H-1H NOESYsample_11isotropicsample_conditions_1
2D 1H-1H NOESYsample_11isotropicsample_conditions_2
2D 1H-1H NOESYsample_12isotropicsample_conditions_1
2D 1H-1H NOESYsample_12isotropicsample_conditions_2
2D 1H-1H NOESYsample_13isotropicsample_conditions_1
2D 1H-13C HSQC sensitivity-enhanced CC decoupledsample_4isotropicsample_conditions_1
2D 1H-13C HSQC sensitivity-enhanced CC decoupledsample_6isotropicsample_conditions_1
2D 1H-15N HSQC long-rangesample_3isotropicsample_conditions_1
2D 13C-15N CONsample_5isotropicsample_conditions_1
2D 13C-15N CONsample_5isotropicsample_conditions_1
2D 1H-13C HN(CA)COsample_5isotropicsample_conditions_1

Software:

VNMRj v4.2 revision A - collection

TOPSPIN v3.5 - collection

MestReNova v14.3.1-31739 - data analysis

SPARKY v1.470 - chemical shift assignment, peak picking

SMILE v2.0 beta - processing

NMRPipe - processing

X-PLOR NIH v3.5 - refinement, structure solution

NMR spectrometers:

  • Bruker AVANCE III HD 750 MHz
  • Bruker AVANCE III 600 MHz
  • Varian VNMRS DD 600 MHz
  • Varian VNMRS DD 800 MHz