BMRB Entry 34145
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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/BMR34145
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Title: G-quadruplex of Human papillomavirus type 52 PubMed: 30987050
Deposition date: 2017-05-29 Original release date: 2018-06-06
Authors: Marusic, M.; Plavec, J.
Citation: Marusic, Maja; Plavec, Janez. "Towards Understanding of Polymorphism of the G-rich Region of Human Papillomavirus Type 52" Molecules 24, E1294-E1294 (2019).
Assembly members:
entity_1, polymer, 23 residues, 7276.684 Da.
Natural source: Common Name: Human papillomavirus type 52 Taxonomy ID: 10618 Superkingdom: Viruses Kingdom: not available Genus/species: Alphapapillomavirus Alphapapillomavirus 9
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
entity_1: GGGTAGGGCAGGGGACACAG
GGT
- assigned_chemical_shifts
- spectral_peak_list
Data type | Count |
13C chemical shifts | 27 |
1H chemical shifts | 221 |
Additional metadata:
Assembly:
Entity Assembly ID | Entity Name | Entity ID |
---|---|---|
1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 23 residues - 7276.684 Da.
1 | DG | DG | DG | DT | DA | DG | DG | DG | DC | DA | ||||
2 | DG | DG | DG | DG | DA | DC | DA | DC | DA | DG | ||||
3 | DG | DG | DT |
Samples:
sample_1: entity_1 1.2 ± 0.1 mM; potassium phosphate 10 ± 0.5 mM; potassium chloride 40 ± 0.5 mM
sample_2: entity_1 1.2 ± 0.1 mM; potassium phosphate 10 ± 0.5 mM; potassium chloride 40 ± 0.5 mM
sample_3: entity_1, 15N site-specifically labelled at 5%, 0.9 ± 0.1 mM; potassium phosphate 10 ± 0.5 mM; potassium chloride 40 ± 0.5 mM
sample_conditions_1: ionic strength: 50 mM; pH: 6.8; pressure: 1 atm; temperature: 298 K
Experiments:
Name | Sample | Sample state | Sample conditions |
---|---|---|---|
2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
2D 1H-1H NOESY | sample_2 | isotropic | sample_conditions_1 |
2D 1H-1H TOCSY | sample_2 | isotropic | sample_conditions_1 |
2D DQF-COSY | sample_2 | isotropic | sample_conditions_1 |
2D HP COSY | sample_2 | isotropic | sample_conditions_1 |
2D 1H-13C HSQC aromatic | sample_3 | isotropic | sample_conditions_1 |
Software:
vnmrj v3., Agilent - collection
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
SPARKY v3.115, Goddard - chemical shift assignment, data analysis, peak picking
AMBER v14, Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, ... and Kollman - refinement, structure calculation
NMR spectrometers:
- Varian VNMRS 800 MHz
- Varian DD2 600 MHz