BMRB Entry 25250
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR25250
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Title: Solution structure of Ovis Aries PrP with mutation delta190-197
Deposition date: 2014-09-25 Original release date: 2015-10-05
Authors: Munoz, Carola; Egalon, Angelique; Beringue, Vincent; Rezaei, Human; Dron, Michel; Sizun, Christina
Citation: Munoz, Carola; Sizun, Christina; Egalon, Angelique; Beringue, Vincent; Rezaei, Human; Dron, Michel. "Conversion ability of PrP helix 2 deletion mutants" Not known ., .-..
Assembly members:
PrPdelta190-197, polymer, 146 residues, 16655.6213 Da.
Natural source: Common Name: Sheep Taxonomy ID: 9940 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Ovis aries
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
PrPdelta190-197: MGSSHHHHHHSSGLVPRGSH
MSNKPSKPKTNMKHVAGAAA
AGAVVGGLGGYMLGSVMSRP
LIHFGNDYEDRYYRENMYRY
PNQVYYRPVDQYSNQNNFVH
DCVNITVKQGENFTETDIKI
MERVVEQMCITQYQRESQAY
YQRGAS
- assigned_chemical_shifts
Data type | Count |
13C chemical shifts | 569 |
15N chemical shifts | 141 |
1H chemical shifts | 898 |
Additional metadata:
Assembly:
Entity Assembly ID | Entity Name | Entity ID |
---|---|---|
1 | entity | 1 |
Entities:
Entity 1, entity 146 residues - 16655.6213 Da.
1 | MET | GLY | SER | SER | HIS | HIS | HIS | HIS | HIS | HIS | ||||
2 | SER | SER | GLY | LEU | VAL | PRO | ARG | GLY | SER | HIS | ||||
3 | MET | SER | ASN | LYS | PRO | SER | LYS | PRO | LYS | THR | ||||
4 | ASN | MET | LYS | HIS | VAL | ALA | GLY | ALA | ALA | ALA | ||||
5 | ALA | GLY | ALA | VAL | VAL | GLY | GLY | LEU | GLY | GLY | ||||
6 | TYR | MET | LEU | GLY | SER | VAL | MET | SER | ARG | PRO | ||||
7 | LEU | ILE | HIS | PHE | GLY | ASN | ASP | TYR | GLU | ASP | ||||
8 | ARG | TYR | TYR | ARG | GLU | ASN | MET | TYR | ARG | TYR | ||||
9 | PRO | ASN | GLN | VAL | TYR | TYR | ARG | PRO | VAL | ASP | ||||
10 | GLN | TYR | SER | ASN | GLN | ASN | ASN | PHE | VAL | HIS | ||||
11 | ASP | CYS | VAL | ASN | ILE | THR | VAL | LYS | GLN | GLY | ||||
12 | GLU | ASN | PHE | THR | GLU | THR | ASP | ILE | LYS | ILE | ||||
13 | MET | GLU | ARG | VAL | VAL | GLU | GLN | MET | CYS | ILE | ||||
14 | THR | GLN | TYR | GLN | ARG | GLU | SER | GLN | ALA | TYR | ||||
15 | TYR | GLN | ARG | GLY | ALA | SER |
Samples:
sample_1: PrPdelta190-197, [U-99% 13C; U-99% 15N], 0.35 ± 2e-05 mM; Sodium acetate 10.00 ± 0.001 mM; H2O 90 ± 0.001 mM; D2O 10 ± 0.001 mM
sample_2: PrPdelta190-197, [U-99% 15N], 0.45 ± 2e-05 mM; Sodium acetate 10.00 ± 0.001 mM; H2O 90 ± 0.001 mM; D2O 10 ± 0.001 mM
sample_3: PrPdelta190-197, [U-99% 13C; U-99% 15N], 0.35 ± 0.02 mM; Sodium acetate 10.00 ± 0.1 mM; D2O 100 ± 0.001 mM
Condition1: ionic strength: 0 M; pH: 5.300; pressure: 1.000 atm; temperature: 298.000 K
Experiments:
Name | Sample | Sample state | Sample conditions |
---|---|---|---|
2D 1H-15N HSQC | sample_1 | isotropic | Condition1 |
3D HNCO | sample_1 | isotropic | Condition1 |
3D HNCA | sample_1 | isotropic | Condition1 |
3D HN(CO)CA | sample_1 | isotropic | Condition1 |
3D CBCA(CO)NH | sample_1 | isotropic | Condition1 |
3D 1H-15N NOESY | sample_1 | isotropic | Condition1 |
2D 1H-1H NOESY | sample_2 | isotropic | Condition1 |
2D 1H-15N HSQC | sample_2 | isotropic | Condition1 |
2D 1H-13C HSQC | sample_1 | isotropic | Condition1 |
3D hCCH-TOCSY | sample_1 | isotropic | Condition1 |
2D 1H-13C HSQC | sample_3 | isotropic | Condition1 |
3D hCCH-TOCSY | sample_3 | isotropic | Condition1 |
2D 1H-1H NOESY | sample_3 | isotropic | Condition1 |
2D 1H-13C HSQC | sample_3 | isotropic | Condition1 |
3D aromatic HCCH-TOCSY | sample_3 | isotropic | Condition1 |
3D 1H-13C NOESY | sample_3 | isotropic | Condition1 |
Software:
CYANA v3.0, Peter Guntert - Structure calculation
CcpNmr_Analysis v2.2, CCPN - Assignment
Talos+ v1.0, Yang Shen - Dihedral angles
Topspin v3.1, Bruker - collection, processing
NMR spectrometers:
- Bruker Avance 800 MHz
- Bruker Avance 950 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts