BMRB Entry 51071
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR51071
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Title: NMR-driven structure of KRAS4B-G12D-GTP homodimer on a lipid bilayer nanodisc PubMed: 34703570
Deposition date: 2021-08-26 Original release date: 2021-11-01
Authors: Lee, Ki-Young; Enomoto, Masahiro; Gebregiworgis, Teklab; Gasmi-Seabrook, Genevieve; Ikura, Mitsuhiko; Marshall, Christopher
Citation: Lee, Ki-Young; Enomoto, Masahiro; Gebregiworgis, Teklab; Gasmi-Seabrook, Genevieve; Ikura, Mitsuhiko; Marshall, Christopher. "Oncogenic KRAS G12D mutation promotes dimerization through a second, phosphatidylserine-dependent interface: a model for KRAS oligomerization" Chem. Sci. 12, 12827-12837 (2021).
Assembly members:
entity_1, polymer, 185 residues, Formula weight is not available
entity_GTP, non-polymer, 523.180 Da.
entity_MG, non-polymer, 24.305 Da.
Natural source: Common Name: E. coli Taxonomy ID: 562 Superkingdom: Bacteria Kingdom: not available Genus/species: Escherichia coli
Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET28a
Entity Sequences (FASTA):
entity_1: MTEYKLVVVGADGVGKSALT
IQLIQNHFVDEYDPTIEDSY
RKQVVIDGETCLLDILDTAG
QEEYSAMRDQYMRTGEGFLC
VFAINNTKSFEDIHHYREQI
KRVKDSEDVPMVLVGNKCDL
PSRTVDTKQAQDLARSYGIP
FIETSAKTRQGVDDAFYTLV
REIRKHKEKMSKDGKKKKKK
SKTKC
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 30 |
| 15N chemical shifts | 15 |
| 1H chemical shifts | 105 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | KRAS4B-G12D | 1 |
| 2 | GTP | 2 |
| 3 | MG ion | 3 |
Entities:
Entity 1, KRAS4B-G12D 185 residues - Formula weight is not available
| 1 | MET | THR | GLU | TYR | LYS | LEU | VAL | VAL | VAL | GLY | ||||
| 2 | ALA | ASP | GLY | VAL | GLY | LYS | SER | ALA | LEU | THR | ||||
| 3 | ILE | GLN | LEU | ILE | GLN | ASN | HIS | PHE | VAL | ASP | ||||
| 4 | GLU | TYR | ASP | PRO | THR | ILE | GLU | ASP | SER | TYR | ||||
| 5 | ARG | LYS | GLN | VAL | VAL | ILE | ASP | GLY | GLU | THR | ||||
| 6 | CYS | LEU | LEU | ASP | ILE | LEU | ASP | THR | ALA | GLY | ||||
| 7 | GLN | GLU | GLU | TYR | SER | ALA | MET | ARG | ASP | GLN | ||||
| 8 | TYR | MET | ARG | THR | GLY | GLU | GLY | PHE | LEU | CYS | ||||
| 9 | VAL | PHE | ALA | ILE | ASN | ASN | THR | LYS | SER | PHE | ||||
| 10 | GLU | ASP | ILE | HIS | HIS | TYR | ARG | GLU | GLN | ILE | ||||
| 11 | LYS | ARG | VAL | LYS | ASP | SER | GLU | ASP | VAL | PRO | ||||
| 12 | MET | VAL | LEU | VAL | GLY | ASN | LYS | CYS | ASP | LEU | ||||
| 13 | PRO | SER | ARG | THR | VAL | ASP | THR | LYS | GLN | ALA | ||||
| 14 | GLN | ASP | LEU | ALA | ARG | SER | TYR | GLY | ILE | PRO | ||||
| 15 | PHE | ILE | GLU | THR | SER | ALA | LYS | THR | ARG | GLN | ||||
| 16 | GLY | VAL | ASP | ASP | ALA | PHE | TYR | THR | LEU | VAL | ||||
| 17 | ARG | GLU | ILE | ARG | LYS | HIS | LYS | GLU | LYS | MET | ||||
| 18 | SER | LYS | ASP | GLY | LYS | LYS | LYS | LYS | LYS | LYS | ||||
| 19 | SER | LYS | THR | LYS | CYS |
Entity 2, GTP - C10 H16 N5 O14 P3 - 523.180 Da.
| 1 | GTP |
Entity 3, MG ion - Mg - 24.305 Da.
| 1 | MG |
Samples:
sample_1: KRAS4B-G12D, ILV 13C-methyl / K 15N-amide, 80 uM
sample_conditions_1: ionic strength: 0.1 M; pH: 7.4; pressure: 1 atm; temperature: 288 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HMQC | sample_1 | isotropic | sample_conditions_1 |
Software:
NMRViewJ - chemical shift assignment
NMR spectrometers:
- Bruker AVANCE III 800 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts