BMRB Entry 16574
Click here to enlarge.
PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR16574
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: HUMAN NEDD4 3RD WW DOMAIN COMPLEX WITH THE HUMAN T-CELL LEUKEMIA VIRUS 1 GAG-PRO POLIPROTEIN DERIVED PEPTIDE SDPQIPPPYVEP
Deposition date: 2009-10-23 Original release date: 2015-06-19
Authors: Iglesias-Bexiga, Manuel; Luque, Irene; Macias, Maria; Blanco, Francisco; Cobos, Eva; Bonet, Roman
Citation: Iglesias-Bexiga, Manuel; Luque, Irene; Macias, Maria Jesus. "HUMAN NEDD4 3RD WW DOMAIN COMPLEX WITH HUMAN T-CELL LEUKEMIA VIRUS GAP-PRO POLIPROTEIN DERIVED PEPTIDE" Not known ., .-..
Assembly members:
PROTEIN, polymer, 49 residues, 4100.688 Da.
PEPTIDE, polymer, 12 residues, 1039.193 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):
PROTEIN: GAMGPSEIEQGFLPKGWEVR
HAPNGRPFFIDHNTKTTTWE
DPRLKIPAH
PEPTIDE: SDPQIPPPYVEP
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 122 |
| 15N chemical shifts | 46 |
| 1H chemical shifts | 399 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | NEDD4 3RD WW | 1 |
| 2 | T-CELL LEUKEMIA VIRUS | 2 |
Entities:
Entity 1, NEDD4 3RD WW 49 residues - 4100.688 Da.
Residues 1-4 represent a non-native cloning tag resulting from TEV cleavage
| 1 | GLY | ALA | MET | GLY | PRO | SER | GLU | ILE | GLU | GLN | ||||
| 2 | GLY | PHE | LEU | PRO | LYS | GLY | TRP | GLU | VAL | ARG | ||||
| 3 | HIS | ALA | PRO | ASN | GLY | ARG | PRO | PHE | PHE | ILE | ||||
| 4 | ASP | HIS | ASN | THR | LYS | THR | THR | THR | TRP | GLU | ||||
| 5 | ASP | PRO | ARG | LEU | LYS | ILE | PRO | ALA | HIS |
Entity 2, T-CELL LEUKEMIA VIRUS 12 residues - 1039.193 Da.
| 1 | SER | ASP | PRO | GLN | ILE | PRO | PRO | PRO | TYR | VAL | ||||
| 2 | GLU | PRO |
Samples:
15Nsample: PROTEIN, [U-100% 15N], 1 mM; PEPTIDE 3 mM; sodium phosphate 20 mM; sodium azide 0.02 v/v; H2O 90%; D2O 10%
15N13Csample: PROTEIN, [U-100% 13C; U-100% 15N], 1 mM; PEPTIDE 3 mM; sodium phosphate 20 mM; sodium azide 0.02 v/v; H2O 90%; D2O 10%
sample_conditions_1: pH: 7.00; pressure: 1 atm; temperature: 288 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | 15Nsample | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | 15Nsample | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | 15Nsample | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | 15N13Csample | isotropic | sample_conditions_1 |
| 3D HNCACB | 15N13Csample | isotropic | sample_conditions_1 |
| 3D HCCH-TOCSY | 15N13Csample | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | 15Nsample | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY | 15N13Csample | isotropic | sample_conditions_1 |
| 3D 1H-15N TOCSY | 15Nsample | isotropic | sample_conditions_1 |
Software:
CNSSOLVE, Brunger, Adams, Clore, Gros, Nilges and Read - refinement, structure solution
XEASY, Bartels et al. - chemical shift assignment, data analysis, peak picking
TOPSPIN, Bruker Biospin - processing
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
NMR spectrometers:
- Bruker Avance 600 MHz
- Bruker Avance 700 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts