BMRB Entry 52002
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR52002
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Title: Backbone Resonance Assignments of Human GMPPNP-bound KRAS4a Isoform PubMed: 38354232
Deposition date: 2023-06-15 Original release date: 2023-08-16
Authors: Cornilescu, Gabriel
Citation: Whitley, Matthew; Tran, Timothy; Rigby, Megan; Yi, Ming; Dharmaiah, Srisathiyanarayanan; Waybright, Timothy; Ramakrishnan, Nitya; Perkins, Shelley; Taylor, Troy; Messing, Simon; Esposito, Dominic; Nissley, Dwight; McCormick, Frank; Stephen, Andrew; Turbyville, Thomas; Cornilescu, Gabriel; Simanshu, Dhirendra. "Comparative analysis of KRAS4a and KRAS4b splice variants reveals distinctive structural and functional properties" Sci. Adv. 10, eadj4137-eadj4137 (2024).
Assembly members:
entity_1, polymer, 169 residues, Formula weight is not available
entity_GNP, non-polymer, 522.196 Da.
entity_MG, non-polymer, 24.305 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: KRAS4B
Entity Sequences (FASTA):
entity_1: MTEYKLVVVGAGGVGKSALT
IQLIQNHFVDEYDPTIEDSY
RKQVVIDGETCLLDILDTAG
QEEYSAMRDQYMRTGEGFLC
VFAINNTKSFEDIHHYREQI
KRVKDSEDVPMVLVGNKCDL
PSRTVDTKQAQDLARSYGIP
FIETSAKTRQRVEDAFYTLV
REIRQYRLK
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 116 |
| 15N chemical shifts | 114 |
| 1H chemical shifts | 114 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | KRAS4a(1-169) | 1 |
| 2 | GppNHp | 2 |
| 3 | Magnesium ion | 3 |
Entities:
Entity 1, KRAS4a(1-169) 169 residues - Formula weight is not available
| 1 | MET | THR | GLU | TYR | LYS | LEU | VAL | VAL | VAL | GLY | ||||
| 2 | ALA | GLY | 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 | ARG | VAL | GLU | ASP | ALA | PHE | TYR | THR | LEU | VAL | ||||
| 17 | ARG | GLU | ILE | ARG | GLN | TYR | ARG | LEU | LYS |
Entity 2, GppNHp - C10 H17 N6 O13 P3 - 522.196 Da.
| 1 | GNP |
Entity 3, Magnesium ion - Mg - 24.305 Da.
| 1 | MG |
Samples:
sample_1: KRAS4a(1-169), [U-99% 13C; U-99% 15N], 0.42 ± .05 mM; GNP 0.8 ± .05 mM; Magnesium ion 0.8 ± .05 mM; Hepes 20 mM; NaCl 150 mM; TCEP 1 mM
sample_conditions_1: ionic strength: 20 mM; pH: 7.4; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D C(CO)NH | sample_1 | isotropic | sample_conditions_1 |
Software:
NMRFAM-SPARKY - chemical shift assignment
NMRPipe - processing
NMR spectrometers:
- Bruker AVANCE NEO 700 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts