BMRB Entry 25591
Click here to enlarge.
PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR25591
MolProbity Validation Chart
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
NMR-STAR v2.1 text file (deprecated)
XML gzip file.
RDF gzip file.
All files associated with the entry
Title: Solid-state NMR structure of Vpu PubMed: 26362058
Deposition date: 2015-05-01 Original release date: 2015-09-28
Authors: Zhang, H.; Lin, E.; Tian, Y.; Das, B.; Opella, S.
Citation: Zhang, H.; Lin, E.; Tian, Y.; Das, B.; Opella, S.. "Structural determination of virus protein U from HIV-1 by NMR in membrane environments" Biochim. Biophys. Acta 1848, 3007-3018 (2015).
Assembly members:
HIV-1_Virus_protein_U, polymer, 81 residues, 9147.735 Da.
4-(trifluoromethyl)aniline, non-polymer, 161.124 Da.
Natural source: Common Name: human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
HIV-1_Virus_protein_U: MQPIQIAIVALVVAIIIAIV
VWSIVIIEYRKILRQRKIDR
LIDRLIERAEDSGNESEGEI
SALVELGVELGHHAPWDVDD
L
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 112 |
| 15N chemical shifts | 47 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | HIV-1 Virus protein U | 1 |
| 2 | 4-(TRIFLUOROMETHYL)ANILINE | 2 |
Entities:
Entity 1, HIV-1 Virus protein U 81 residues - 9147.735 Da.
| 1 | MET | GLN | PRO | ILE | GLN | ILE | ALA | ILE | VAL | ALA | ||||
| 2 | LEU | VAL | VAL | ALA | ILE | ILE | ILE | ALA | ILE | VAL | ||||
| 3 | VAL | TRP | SER | ILE | VAL | ILE | ILE | GLU | TYR | ARG | ||||
| 4 | LYS | ILE | LEU | ARG | GLN | ARG | LYS | ILE | ASP | ARG | ||||
| 5 | LEU | ILE | ASP | ARG | LEU | ILE | GLU | ARG | ALA | GLU | ||||
| 6 | ASP | SER | GLY | ASN | GLU | SER | GLU | GLY | GLU | ILE | ||||
| 7 | SER | ALA | LEU | VAL | GLU | LEU | GLY | VAL | GLU | LEU | ||||
| 8 | GLY | HIS | HIS | ALA | PRO | TRP | ASP | VAL | ASP | ASP | ||||
| 9 | LEU |
Entity 2, 4-(TRIFLUOROMETHYL)ANILINE - C7 H6 F3 N - 161.124 Da.
| 1 | ANI |
Samples:
sample: HIV-1 Virus protein U, [U-100% 13C; U-100% 15N], 8.5 mM; H20 100%
sample_conditions_1: ionic strength: 20 mM; pH: 7.3; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D_13C/13C_PDSD | sample | isotropic | sample_conditions_1 |
| 2D_13C/15N_HETCOR | sample | isotropic | sample_conditions_1 |
| 2D_13C/13C_TOBSY | sample | isotropic | sample_conditions_1 |
| 2D_13C-1H_DC/13C_SLF | sample | isotropic | sample_conditions_1 |
| 2D_15N-1H_DC/13C_SLF | sample | isotropic | sample_conditions_1 |
| 3D_15N/13CA/13C | sample | isotropic | sample_conditions_1 |
| 3D_15N/13C'/13C | sample | isotropic | sample_conditions_1 |
| 3D_1H-15N_DC/15N/13CA_SLF | sample | isotropic | sample_conditions_1 |
| 3D_1H-13C_DC/15N/13CA_SLF | sample | isotropic | sample_conditions_1 |
Software:
CNS, Brunger A. T. et.al. - refinement
NMR spectrometers:
- Bruker Avance 700 MHz