BMRB Entry 16695
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR16695
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Title: Backbone Assignments for the HIV-1 Integrase Core Domain (residues 50-212) PubMed: 20363759
Deposition date: 2010-01-29 Original release date: 2010-05-05
Authors: Fitzkee, Nicholas; Masse, James; Shen, Yang; Davies, David; Bax, Ad
Citation: Fitzkee, Nicholas; Masse, James; Shen, Yang; Davies, David; Bax, Ad. "Solution conformation and dynamics of the HIV-1 integrase core domain." J. Biol. Chem. 285, 18072-18084 (2010).
Assembly members:
Integrase_Core_Domain, polymer, 166 residues, Formula weight is not available
Natural source: Common Name: HIV Taxonomy ID: 11676 Superkingdom: Viruses Kingdom: not available Genus/species: Lentivirus HIV-1
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
Integrase_Core_Domain: GSHMHGEVDSSPGIWQLDCT
HLEGKVILVAVHVASGYIEA
EVIPAETGQETAYFLLKLAG
RWPVKTVHTDNGSNFTSTTV
KAACEWAGIKQEFGIPYNPQ
SQGVIESMNKELKKIIGQVR
DQAEHLKTAVQMAVFIHNKK
RKGGIGGYSAGERIVDIIAT
DIETKE
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 489 |
| 15N chemical shifts | 158 |
| 1H chemical shifts | 158 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Integrase, chain 1 | 1 |
| 2 | Integrase, chain 2 | 1 |
Entities:
Entity 1, Integrase, chain 1 166 residues - Formula weight is not available
| 1 | GLY | SER | HIS | MET | HIS | GLY | GLU | VAL | ASP | SER | ||||
| 2 | SER | PRO | GLY | ILE | TRP | GLN | LEU | ASP | CYS | THR | ||||
| 3 | HIS | LEU | GLU | GLY | LYS | VAL | ILE | LEU | VAL | ALA | ||||
| 4 | VAL | HIS | VAL | ALA | SER | GLY | TYR | ILE | GLU | ALA | ||||
| 5 | GLU | VAL | ILE | PRO | ALA | GLU | THR | GLY | GLN | GLU | ||||
| 6 | THR | ALA | TYR | PHE | LEU | LEU | LYS | LEU | ALA | GLY | ||||
| 7 | ARG | TRP | PRO | VAL | LYS | THR | VAL | HIS | THR | ASP | ||||
| 8 | ASN | GLY | SER | ASN | PHE | THR | SER | THR | THR | VAL | ||||
| 9 | LYS | ALA | ALA | CYS | GLU | TRP | ALA | GLY | ILE | LYS | ||||
| 10 | GLN | GLU | PHE | GLY | ILE | PRO | TYR | ASN | PRO | GLN | ||||
| 11 | SER | GLN | GLY | VAL | ILE | GLU | SER | MET | ASN | LYS | ||||
| 12 | GLU | LEU | LYS | LYS | ILE | ILE | GLY | GLN | VAL | ARG | ||||
| 13 | ASP | GLN | ALA | GLU | HIS | LEU | LYS | THR | ALA | VAL | ||||
| 14 | GLN | MET | ALA | VAL | PHE | ILE | HIS | ASN | LYS | LYS | ||||
| 15 | ARG | LYS | GLY | GLY | ILE | GLY | GLY | TYR | SER | ALA | ||||
| 16 | GLY | GLU | ARG | ILE | VAL | ASP | ILE | ILE | ALA | THR | ||||
| 17 | ASP | ILE | GLU | THR | LYS | GLU |
Samples:
sample_1: Integrase Core Domain, [U-13C; U-15N; U-2H], 300-700 uM; HEPES 20 mM; sodium chloride 150 mM; magnesium chloride 40 mM; TCEP 2 mM; sodium azide 0.02 % w/v
sample_conditions_1: ionic strength: 0.25 M; pH: 6.8; pressure: 1 atm; temperature: 298 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 HN(CA)CO | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCA | sample_1 | isotropic | sample_conditions_1 |
| 3D HN(CO)CA | sample_1 | isotropic | sample_conditions_1 |
| 3D HN(COCA)CB | sample_1 | isotropic | sample_conditions_1 |
| 3D HN(CA)CB | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
Software:
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
SPARKY, Goddard - chemical shift assignment
CARA, Keller, Wutrich - chemical shift assignment
AutoLink, Masse, Keller - chemical shift assignment
NMR spectrometers:
- Bruker DRX 800 MHz
- Bruker Avance 600 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts