BMRB Entry 19992
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR19992
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Title: Kelch domain of human Keap1 PubMed: 25582950
Deposition date: 2014-05-28 Original release date: 2015-03-11
Authors: Khan, Halema; Choy, Wing Yiu; Killoran, Ryan; Fan, Jingsong; Yang, Daiwen; Brickenden, Anne
Citation: Khan, Halema; Killoran, Ryan; Brickenden, Anne; Fan, Jingsong; Yang, Daiwen; Choy, Wing-Yiu. "Molecular effects of cancer-associated somatic mutations on the structural and target recognition properties of Keap1" Biochem. J. 467, 139-149 (2015).
Assembly members:
human_Kelch_domain, polymer, 293 residues, Formula weight is not available
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):
human_Kelch_domain: GSHMAPKVGRLIYTAGGYFR
QSLSYLEAYNPSDGTWLRLA
DLQVPRSGLAGCVVGGLLYA
VGGRNNSPDGNTDSSALDCY
NPMTNQWSPCAPMSVPRNRI
GVGVIDGHIYAVGGSHGCIH
HNSVERYEPERDEWHLVAPM
LTRRIGVGVAVLNRLLYAVG
GFDGTNRLNSAECYYPERNE
WRMITAMNTIRSGAGVCVLH
NCIYAAGGYDGQDQLNSVER
YDVETETWTFVAPMKHRRSA
LGITVHQGRIYVLGGYDGHT
FLDSVECYDPDTDTWSEVTR
MTSGRSGVGVAVT
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 252 |
| 15N chemical shifts | 252 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Kelch domain | 1 |
Entities:
Entity 1, Kelch domain 293 residues - Formula weight is not available
| 1 | GLY | SER | HIS | MET | ALA | PRO | LYS | VAL | GLY | ARG | ||||
| 2 | LEU | ILE | TYR | THR | ALA | GLY | GLY | TYR | PHE | ARG | ||||
| 3 | GLN | SER | LEU | SER | TYR | LEU | GLU | ALA | TYR | ASN | ||||
| 4 | PRO | SER | ASP | GLY | THR | TRP | LEU | ARG | LEU | ALA | ||||
| 5 | ASP | LEU | GLN | VAL | PRO | ARG | SER | GLY | LEU | ALA | ||||
| 6 | GLY | CYS | VAL | VAL | GLY | GLY | LEU | LEU | TYR | ALA | ||||
| 7 | VAL | GLY | GLY | ARG | ASN | ASN | SER | PRO | ASP | GLY | ||||
| 8 | ASN | THR | ASP | SER | SER | ALA | LEU | ASP | CYS | TYR | ||||
| 9 | ASN | PRO | MET | THR | ASN | GLN | TRP | SER | PRO | CYS | ||||
| 10 | ALA | PRO | MET | SER | VAL | PRO | ARG | ASN | ARG | ILE | ||||
| 11 | GLY | VAL | GLY | VAL | ILE | ASP | GLY | HIS | ILE | TYR | ||||
| 12 | ALA | VAL | GLY | GLY | SER | HIS | GLY | CYS | ILE | HIS | ||||
| 13 | HIS | ASN | SER | VAL | GLU | ARG | TYR | GLU | PRO | GLU | ||||
| 14 | ARG | ASP | GLU | TRP | HIS | LEU | VAL | ALA | PRO | MET | ||||
| 15 | LEU | THR | ARG | ARG | ILE | GLY | VAL | GLY | VAL | ALA | ||||
| 16 | VAL | LEU | ASN | ARG | LEU | LEU | TYR | ALA | VAL | GLY | ||||
| 17 | GLY | PHE | ASP | GLY | THR | ASN | ARG | LEU | ASN | SER | ||||
| 18 | ALA | GLU | CYS | TYR | TYR | PRO | GLU | ARG | ASN | GLU | ||||
| 19 | TRP | ARG | MET | ILE | THR | ALA | MET | ASN | THR | ILE | ||||
| 20 | ARG | SER | GLY | ALA | GLY | VAL | CYS | VAL | LEU | HIS | ||||
| 21 | ASN | CYS | ILE | TYR | ALA | ALA | GLY | GLY | TYR | ASP | ||||
| 22 | GLY | GLN | ASP | GLN | LEU | ASN | SER | VAL | GLU | ARG | ||||
| 23 | TYR | ASP | VAL | GLU | THR | GLU | THR | TRP | THR | PHE | ||||
| 24 | VAL | ALA | PRO | MET | LYS | HIS | ARG | ARG | SER | ALA | ||||
| 25 | LEU | GLY | ILE | THR | VAL | HIS | GLN | GLY | ARG | ILE | ||||
| 26 | TYR | VAL | LEU | GLY | GLY | TYR | ASP | GLY | HIS | THR | ||||
| 27 | PHE | LEU | ASP | SER | VAL | GLU | CYS | TYR | ASP | PRO | ||||
| 28 | ASP | THR | ASP | THR | TRP | SER | GLU | VAL | THR | ARG | ||||
| 29 | MET | THR | SER | GLY | ARG | SER | GLY | VAL | GLY | VAL | ||||
| 30 | ALA | VAL | THR |
Samples:
15N_Kelch: human Kelch domain, [U-100% 13C; U-100% 15N; U-80% 2H], 600 uM; Sodium Phosphate 50 mM; NaCl 100 mM; D2O 10%; H2O 90%
sample_conditions_1: temperature: 273 K; pH: 7.0; pressure: 1 atm; ionic strength: 150 mM
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | 15N_Kelch | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | 15N_Kelch | isotropic | sample_conditions_1 |
| 3D HNCACB | 15N_Kelch | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | 15N_Kelch | isotropic | sample_conditions_1 |
Software:
VNMRJ, Varian - collection
NMR spectrometers:
- Bruker Avance 800 MHz
Related Database Links:
| PDB | |
| DBJ | BAA09481 BAG09615 BAG51647 BAK62444 |
| EMBL | CAG15151 CAH92386 |
| GB | AAH02417 AAH02930 AAH15945 AAI51546 AAK43722 |
| REF | NP_001094612 NP_001108143 NP_001126406 NP_001266890 NP_036421 |
| SP | Q14145 Q5R774 Q684M4 |
| TPG | DAA27941 |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts