BMRB Entry 53733
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR53733
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
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Citation: Xiang, Xinyao; Basnet, Mamata; Yuan, Chunhua; Bruschweiler-li, Lei; Bruschweiler, Rafael. "GDP-Loaded K-Ras Transiently Binds to Effector B-Raf RBD, Mirroring the Structure of the Active GTP-Loaded Complex
" J. Am. Chem. Soc. 148, 35961-35972 (2026).
PubMed: 42677563
Assembly members:
entity_1, polymer, 172 residues, Formula weight is not available
entity_2, polymer, 76 residues, Formula weight is not available
entity_MG, non-polymer, 24.305 Da.
entity_GTP, non-polymer, 523.180 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 Vector: pTBSG1
Entity Sequences (FASTA):
entity_1: SNAMTEYKLVVVGADGVGKS
ALTIQLIQNHFVDEYDPTIE
DSYRKQVVIDGETCLLDILD
TAGQEEYSAMRDQYMRTGEG
FLCVFAINNTKSFEDIHHYR
EQIKRVKDSEDVPMVLVGNK
CDLPSRTVDTKQAQDLARSY
GIPFIETSAKTRQGVDDAFY
TLVREIRKHKEK
entity_2: SNAPIVRVFLPNKQRTVVPA
RCGVTVRDSLKKALMMRGLI
PECCAVYRIQDGEKKPIGWD
TDISWLTGEELHVEVL
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 142 |
| 15N chemical shifts | 68 |
| 1H chemical shifts | 68 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | subunit KRas-G12D | 1 |
| 2 | subunit BRBD | 2 |
| 3 | subunit Mg | 3 |
| 4 | subunit GTP | 4 |
Entities:
Entity 1, subunit KRas-G12D 172 residues - Formula weight is not available
human K-Ras4B G-domain (residues 1-169) G12D mutant
| 1 | SER | ASN | ALA | MET | THR | GLU | TYR | LYS | LEU | VAL | ||||
| 2 | VAL | VAL | GLY | ALA | ASP | 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 | LYS | ||||
| 18 | GLU | LYS |
Entity 2, subunit BRBD 76 residues - Formula weight is not available
Ras-binding domain (RBD) of human B-Raf (residues 155-227)
| 1 | SER | ASN | ALA | PRO | ILE | VAL | ARG | VAL | PHE | LEU | ||||
| 2 | PRO | ASN | LYS | GLN | ARG | THR | VAL | VAL | PRO | ALA | ||||
| 3 | ARG | CYS | GLY | VAL | THR | VAL | ARG | ASP | SER | LEU | ||||
| 4 | LYS | LYS | ALA | LEU | MET | MET | ARG | GLY | LEU | ILE | ||||
| 5 | PRO | GLU | CYS | CYS | ALA | VAL | TYR | ARG | ILE | GLN | ||||
| 6 | ASP | GLY | GLU | LYS | LYS | PRO | ILE | GLY | TRP | ASP | ||||
| 7 | THR | ASP | ILE | SER | TRP | LEU | THR | GLY | GLU | GLU | ||||
| 8 | LEU | HIS | VAL | GLU | VAL | LEU |
Entity 3, subunit Mg - Mg - 24.305 Da.
| 1 | MG |
Entity 4, subunit GTP - C10 H16 N5 O14 P3 - 523.180 Da.
| 1 | GTP |
Samples:
sample_1: entity_KRas-G12D 700 uM; entity_BRBD, [U-100% 13C; U-100% 15N], 700 uM; entity_GTP 10 mM; entity_MgCl2 5 mM; NaCl 100 mM; TCEP 2 mM
sample_conditions_1: ionic strength: 0.1 M; pH: 7.0; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | 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 15N-separated NOESY | sample_1 | isotropic | sample_conditions_1 |
Software:
TOPSPIN - collection
NMRPipe - processing
NMRViewJ - data analysis
NMR spectrometers:
- Bruker AVANCE III 850 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated peaks
SPARKY: Backbone
or all simulated peaks