BMRB Entry 30008
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR30008
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Title: Quantitative characterization of configurational space sampled by HIV-1 nucleocapsid using solution NMR and X-ray scattering PubMed: 26946052
Deposition date: 2016-02-05 Original release date: 2016-06-17
Authors: Deshmukh, L.; Schwieters, C.; Grishaev, A.; Clore, G.
Citation: Deshmukh, L.; Schwieters, C.; Grishaev, A.; Clore, G.. "Quantitative characterization of configurational space sampled by HIV-1 nucleocapsid using solution NMR, X-ray scattering and protein engineering" Chemphyschem 17, 1548-1552 (2016).
Assembly members:
Nucleocapsid protein p7, polymer, 55 residues, 6442.522 Da.
ZINC ION, non-polymer, 65.409 Da.
Natural source: Common Name: HIV-1 Taxonomy ID: 11706 Superkingdom: Viruses Kingdom: not available Genus/species: Retroviruses HIV-1
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
Nucleocapsid protein p7: MQRGNFRNQRKIVKCFNCGK
EGHTARNCRAPRKKGCWKCG
KEGHQMKDCTERQAN
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 125 |
| 15N chemical shifts | 42 |
| 1H chemical shifts | 42 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
| 2 | entity_ZN | 2 |
| 3 | entity_ZN | 2 |
Entities:
Entity 1, entity_1 55 residues - 6442.522 Da.
| 1 | MET | GLN | ARG | GLY | ASN | PHE | ARG | ASN | GLN | ARG | ||||
| 2 | LYS | ILE | VAL | LYS | CYS | PHE | ASN | CYS | GLY | LYS | ||||
| 3 | GLU | GLY | HIS | THR | ALA | ARG | ASN | CYS | ARG | ALA | ||||
| 4 | PRO | ARG | LYS | LYS | GLY | CYS | TRP | LYS | CYS | GLY | ||||
| 5 | LYS | GLU | GLY | HIS | GLN | MET | LYS | ASP | CYS | THR | ||||
| 6 | GLU | ARG | GLN | ALA | ASN |
Entity 2, entity_ZN - Zn - 65.409 Da.
| 1 | ZN |
Samples:
sample_1: Dithiothreitol 1 mM; Nucleocapsid protein of human immunodeficiency virus 1 (HIV-1), [U-13C; U-15N; U-2H], 0.2 mM; sodium chloride 50 mM; sodium phosphate 20 mM; zinc chloride 0.1 mM; H2O 93%; D2O 7%
sample_2: Dithiothreitol 1 mM; Nucleocapsid protein of human immunodeficiency virus 1 (HIV-1), [U-13C; U-15N; U-2H], 0.2 mM; neutral bicelles 5%; sodium chloride 50 mM; sodium phosphate 20 mM; zinc chloride 0.1 mM; H2O 93%; D2O 7%
sample_conditions_1: ionic strength: 50 mM; pH: 6.5; pressure: 1 atm; temperature: 308 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCA | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 2D ARTSY | sample_2 | anisotropic | sample_conditions_1 |
| 3D Quntitaive HNCO - NC' | sample_2 | anisotropic | sample_conditions_1 |
| 3D Quntitaive HNCO - CaC' | sample_2 | anisotropic | sample_conditions_1 |
Software:
Analysis v2.2.2, W. F. Vranken, W. Boucher, T. J. Stevens, R. H. Fogh, A. Pajon, M. Llinas, E. L. Ulrich, J. L. Markley, J. Ionides, E. D. Laue - chemical shift assignment, peak picking
Xplor-NIH v2.41, C. D. Schwieters, J. J. Kuszewski, N. Tjandra, G. M. Clore - refinement
NMR spectrometers:
- Bruker Avance 500 MHz
- Bruker Avance 800 MHz
Download simulated HSQC data in one of the following formats:
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