BMRB Entry 18529
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR18529
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Title: 1H, 13C and 15N resonance assignment for the human K-Ras at physiological pH PubMed: 22886485
Deposition date: 2012-06-18 Original release date: 2012-08-29
Authors: Vo, Uybach; Embrey, Kevin; Breeze, Alexander; Golovanov, Alexander
Citation: Vo, Uybach; Embrey, Kevin; Breeze, Alexander; Golovanov, Alexander. "1H, 13C and 15N resonance assignment for the human K-Ras at physiological pH." Biomol. NMR Assignments 7, 215-219 (2013).
Assembly members:
K-Ras, polymer, 169 residues, Formula weight is not available
entity_GDP, non-polymer, 443.201 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):
K-Ras: GSHMTEYKLVVVGAGGVGKS
ALTIQLIQNHFVDEYDPTIE
DSYRKQVVIDGETCLLDILD
TAGQEEYSAMRDQYMRTGEG
FLCVFAINNTKSFEDIHHYR
EQIKRVKDSEDVPMVLVGNK
CDLPSRTVDTKQAQDLARSY
GIPFIETSAKTRQGVDDAFY
TLVREIRKH
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 489 |
| 15N chemical shifts | 161 |
| 1H chemical shifts | 473 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | K-Ras | 1 |
| 2 | GDP | 2 |
Entities:
Entity 1, K-Ras 169 residues - Formula weight is not available
First three residues 1-3 (GSH)represent non-native tag remaining after His-tag removal. It is not included in the sequence numbering, and amide signals from these residues were not visible in the spectra.
| 1 | GLY | SER | HIS | MET | THR | GLU | TYR | LYS | LEU | VAL | ||||
| 2 | VAL | VAL | GLY | ALA | GLY | GLY | VAL | GLY | LYS | SER | ||||
| 3 | ALA | LEU | THR | ILE | GLN | LEU | ILE | GLN | ASN | HIS | ||||
| 4 | PHE | VAL | ASP | GLU | TYR | ASP | PRO | THR | ILE | GLU | ||||
| 5 | ASP | SER | TYR | ARG | LYS | GLN | VAL | VAL | ILE | ASP | ||||
| 6 | GLY | GLU | THR | CYS | LEU | LEU | ASP | ILE | LEU | ASP | ||||
| 7 | THR | ALA | GLY | GLN | GLU | GLU | TYR | SER | ALA | MET | ||||
| 8 | ARG | ASP | GLN | TYR | MET | ARG | THR | GLY | GLU | GLY | ||||
| 9 | PHE | LEU | CYS | VAL | PHE | ALA | ILE | ASN | ASN | THR | ||||
| 10 | LYS | SER | PHE | GLU | ASP | ILE | HIS | HIS | TYR | ARG | ||||
| 11 | GLU | GLN | ILE | LYS | ARG | VAL | LYS | ASP | SER | GLU | ||||
| 12 | ASP | VAL | PRO | MET | VAL | LEU | VAL | GLY | ASN | LYS | ||||
| 13 | CYS | ASP | LEU | PRO | SER | ARG | THR | VAL | ASP | THR | ||||
| 14 | LYS | GLN | ALA | GLN | ASP | LEU | ALA | ARG | SER | TYR | ||||
| 15 | GLY | ILE | PRO | PHE | ILE | GLU | THR | SER | ALA | LYS | ||||
| 16 | THR | ARG | GLN | GLY | VAL | ASP | ASP | ALA | PHE | TYR | ||||
| 17 | THR | LEU | VAL | ARG | GLU | ILE | ARG | LYS | HIS |
Entity 2, GDP - C10 H15 N5 O11 P2 - 443.201 Da.
| 1 | GDP |
Samples:
K-Ras-GDP: K-Ras, [U-2H; U-13C; U-15N], 0.500 mM; HEPES 50 mM; sodium chloride 50 mM; MgCl2 2 mM; TCEP 2 mM; EDTA 0.1 mM; sodium azide 0.02%
K-Ras-GDP_2: K-Ras, [U-13C; U-15N], 0.500 mM; HEPES 50 mM; sodium chloride 50 mM; MgCl2 2 mM; TCEP 2 mM; EDTA 0.1 mM; sodium azide 0.02%
sample_conditions: pH: 7.4; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N TROSY | K-Ras-GDP | isotropic | sample_conditions |
| 3D HNCO | K-Ras-GDP | isotropic | sample_conditions |
| 3D HNCA | K-Ras-GDP | isotropic | sample_conditions |
| 3D HNCACB | K-Ras-GDP | isotropic | sample_conditions |
| 3D HN(CO)CA | K-Ras-GDP | isotropic | sample_conditions |
| 3D HN(CA)CO | K-Ras-GDP | isotropic | sample_conditions |
| 3D HN(CO)CACB | K-Ras-GDP | isotropic | sample_conditions |
| 2D 1H-13C HSQC | K-Ras-GDP_2 | isotropic | sample_conditions |
| 3D HBHA(CO)NH | K-Ras-GDP_2 | isotropic | sample_conditions |
| 3D HCCH-TOCSY | K-Ras-GDP_2 | isotropic | sample_conditions |
Software:
CCPN, CCPN - chemical shift assignment
TOPSPIN, Bruker Biospin - processing
NMR spectrometers:
- Bruker Avance 800 MHz
- Bruker Avance 600 MHz
Related Database Links:
| BMRB | 17785 25114 25115 25116 26635 |
| PDB | |
| DBJ | BAE33023 BAE37609 BAF85199 BAJ17756 |
| EMBL | CAA25624 CAA26295 CAA37336 CAA59755 CAA73253 |
| GB | AAA35689 AAA35690 AAA36554 AAA42011 AAA49189 |
| PIR | A54321 |
| PRF | 0909262A 0909262B 2105181A |
| REF | NP_001003744 NP_001028153 NP_001084379 NP_001095209 NP_001103471 |
| SP | O42277 P01116 P05774 P08644 P32883 |
| TPG | DAA29418 |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts