BMRB Entry 30171
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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/BMR30171
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Title: HIV-1 reverse transcriptase thumb subdomain PubMed: 27858311
Deposition date: 2016-09-06 Original release date: 2017-01-12
Authors: Gronenborn, A.; Sharaf, N.; Byeon, I-J.
Citation: Sharaf, N.; Brereton, A.; Byeon, I-J.; Karplus, P.; Gronenborn, A.. "NMR structure of the HIV-1 reverse transcriptase thumb subdomain" J. Biomol. NMR 66, 273-280 (2016).
Assembly members:
entity_1, polymer, 90 residues, 10460.995 Da.
Natural source: Common Name: HIV-1 Taxonomy ID: 11676 Superkingdom: Viruses Kingdom: not available Genus/species: Lentivirus HIV-1
Experimental source: Production method: recombinant technology Host organism: Escherichia
Entity Sequences (FASTA):
entity_1: DKWTVQPIVLPEKDSWTVND
IQKLVGKLNWASQIYPGIKV
RQLSKLLRGTKALTEVIPLT
EEAELELAENREILKEPVHG
VYLEHHHHHH
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 276 |
| 15N chemical shifts | 86 |
| 1H chemical shifts | 577 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 90 residues - 10460.995 Da.
| 1 | ASP | LYS | TRP | THR | VAL | GLN | PRO | ILE | VAL | LEU | |
| 2 | PRO | GLU | LYS | ASP | SER | TRP | THR | VAL | ASN | ASP | |
| 3 | ILE | GLN | LYS | LEU | VAL | GLY | LYS | LEU | ASN | TRP | |
| 4 | ALA | SER | GLN | ILE | TYR | PRO | GLY | ILE | LYS | VAL | |
| 5 | ARG | GLN | LEU | SER | LYS | LEU | LEU | ARG | GLY | THR | |
| 6 | LYS | ALA | LEU | THR | GLU | VAL | ILE | PRO | LEU | THR | |
| 7 | GLU | GLU | ALA | GLU | LEU | GLU | LEU | ALA | GLU | ASN | |
| 8 | ARG | GLU | ILE | LEU | LYS | GLU | PRO | VAL | HIS | GLY | |
| 9 | VAL | TYR | LEU | GLU | HIS | HIS | HIS | HIS | HIS | HIS |
Samples:
sample_1: entity_1, [U-13C; U-15N], 1 mM; Sodium Phosphate 25 mM; NaCl 100 mM
sample_conditions_1: ionic strength: 100 mM; pH: 6.8; pressure: 1 atm; temperature: 303 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D HN(CO)CACB | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D HCCH-TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 3D H(CCO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D C(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D SIMULTANEOUS 13C- and 15N- EDITED NOESY | sample_1 | isotropic | sample_conditions_1 |
Software:
CNS, Brunger A. T. et.al. - refinement
NMR spectrometers:
- Bruker Avance600 600 MHz
- Bruker Avance700 700 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts