BMRB Entry 19930
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR19930
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NMR-STAR v3 text file.
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Citation: Tokunaga, Yuji; Takeuchi, Koh; Takahashi, Hideo; Shimada, Ichio. "Allosteric enhancement of MAP kinase p38a's activity and substrate selectivity by docking interactions." Nat. Struct. Mol. Biol. 21, 704-711 (2014).
PubMed: 25038803
Assembly members:
Non-phosphorylated_human_p38_alpha_(apo), polymer, 367 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 Vector: pET15b
Entity Sequences (FASTA):
Non-phosphorylated_human_p38_alpha_(apo): MAHHHHHHSQERPTFYRQEL
NKTIWEVPERYQNLSPVGSG
AYGSVCAAFDTKTGLRVAVK
KLSRPFQSIIHAKRTYRELR
LLKHMKHENVIGLLDVFTPA
RSLEEFNDVYLVTHLMGADL
NNIVKCQKLTDDHVQFLIYQ
ILRGLKYIHSADIIHRDLKP
SNLAVNEDCELKILDFGLAR
HTDDEMTGYVATRWYRAPEI
MLNWMHYNQTVDIWSVGCIM
AELLTGRTLFPGTDHIDQLK
LILRLVGTPGAELLKKISSE
SARNYIQSLTQMPKMNFANV
FIGANPLAVDLLEKMLVLDS
DKRITAAQALAHAYFAQYHD
PDDEPVADPYDQSFESRDLL
IDEWKSLTYDEVISFVPPPL
DQEEMES
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 154 |
| 1H chemical shifts | 462 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | non-phosphorylated human p38 alpha (apo) | 1 |
Entities:
Entity 1, non-phosphorylated human p38 alpha (apo) 367 residues - Formula weight is not available
| 1 | MET | ALA | HIS | HIS | HIS | HIS | HIS | HIS | SER | GLN | ||||
| 2 | GLU | ARG | PRO | THR | PHE | TYR | ARG | GLN | GLU | LEU | ||||
| 3 | ASN | LYS | THR | ILE | TRP | GLU | VAL | PRO | GLU | ARG | ||||
| 4 | TYR | GLN | ASN | LEU | SER | PRO | VAL | GLY | SER | GLY | ||||
| 5 | ALA | TYR | GLY | SER | VAL | CYS | ALA | ALA | PHE | ASP | ||||
| 6 | THR | LYS | THR | GLY | LEU | ARG | VAL | ALA | VAL | LYS | ||||
| 7 | LYS | LEU | SER | ARG | PRO | PHE | GLN | SER | ILE | ILE | ||||
| 8 | HIS | ALA | LYS | ARG | THR | TYR | ARG | GLU | LEU | ARG | ||||
| 9 | LEU | LEU | LYS | HIS | MET | LYS | HIS | GLU | ASN | VAL | ||||
| 10 | ILE | GLY | LEU | LEU | ASP | VAL | PHE | THR | PRO | ALA | ||||
| 11 | ARG | SER | LEU | GLU | GLU | PHE | ASN | ASP | VAL | TYR | ||||
| 12 | LEU | VAL | THR | HIS | LEU | MET | GLY | ALA | ASP | LEU | ||||
| 13 | ASN | ASN | ILE | VAL | LYS | CYS | GLN | LYS | LEU | THR | ||||
| 14 | ASP | ASP | HIS | VAL | GLN | PHE | LEU | ILE | TYR | GLN | ||||
| 15 | ILE | LEU | ARG | GLY | LEU | LYS | TYR | ILE | HIS | SER | ||||
| 16 | ALA | ASP | ILE | ILE | HIS | ARG | ASP | LEU | LYS | PRO | ||||
| 17 | SER | ASN | LEU | ALA | VAL | ASN | GLU | ASP | CYS | GLU | ||||
| 18 | LEU | LYS | ILE | LEU | ASP | PHE | GLY | LEU | ALA | ARG | ||||
| 19 | HIS | THR | ASP | ASP | GLU | MET | THR | GLY | TYR | VAL | ||||
| 20 | ALA | THR | ARG | TRP | TYR | ARG | ALA | PRO | GLU | ILE | ||||
| 21 | MET | LEU | ASN | TRP | MET | HIS | TYR | ASN | GLN | THR | ||||
| 22 | VAL | ASP | ILE | TRP | SER | VAL | GLY | CYS | ILE | MET | ||||
| 23 | ALA | GLU | LEU | LEU | THR | GLY | ARG | THR | LEU | PHE | ||||
| 24 | PRO | GLY | THR | ASP | HIS | ILE | ASP | GLN | LEU | LYS | ||||
| 25 | LEU | ILE | LEU | ARG | LEU | VAL | GLY | THR | PRO | GLY | ||||
| 26 | ALA | GLU | LEU | LEU | LYS | LYS | ILE | SER | SER | GLU | ||||
| 27 | SER | ALA | ARG | ASN | TYR | ILE | GLN | SER | LEU | THR | ||||
| 28 | GLN | MET | PRO | LYS | MET | ASN | PHE | ALA | ASN | VAL | ||||
| 29 | PHE | ILE | GLY | ALA | ASN | PRO | LEU | ALA | VAL | ASP | ||||
| 30 | LEU | LEU | GLU | LYS | MET | LEU | VAL | LEU | ASP | SER | ||||
| 31 | ASP | LYS | ARG | ILE | THR | ALA | ALA | GLN | ALA | LEU | ||||
| 32 | ALA | HIS | ALA | TYR | PHE | ALA | GLN | TYR | HIS | ASP | ||||
| 33 | PRO | ASP | ASP | GLU | PRO | VAL | ALA | ASP | PRO | TYR | ||||
| 34 | ASP | GLN | SER | PHE | GLU | SER | ARG | ASP | LEU | LEU | ||||
| 35 | ILE | ASP | GLU | TRP | LYS | SER | LEU | THR | TYR | ASP | ||||
| 36 | GLU | VAL | ILE | SER | PHE | VAL | PRO | PRO | PRO | LEU | ||||
| 37 | ASP | GLN | GLU | GLU | MET | GLU | SER |
Samples:
sample_2: Non-phosphorylated human p38 alpha (apo), U-2H15N13C, ILVM-methyl-1H13C], 0.2 mM; TRIS, [U-100% 2H], 25 mM; potassium chloride 150 mM; DTT, [U-2H], 5 mM; H2O 90%; D2O, [U-100% 2H], 10%
sample_conditions_1: ionic strength: 150 mM; pH: 7.5; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| (H)CC(CO)NH | sample_2 | isotropic | sample_conditions_1 |
| H(CCCO)NH | sample_2 | isotropic | sample_conditions_1 |
| HCCH-TOCSY | sample_2 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY aliphatic | sample_2 | isotropic | sample_conditions_1 |
Software:
TOPSPIN, Bruker Biospin - processing
SPARKY, Goddard - chemical shift assignment
CARA, Keller, R. - chemical shift assignment
NMR spectrometers:
- Bruker Avance 600 MHz
- Bruker Avance 700 MHz
- Bruker Avance 800 MHz
Related Database Links:
| BMRB | 17471 17940 19934 19935 19936 19937 |
| PDB | |
| DBJ | BAB85654 BAE21782 BAE30324 BAE31659 BAF84398 |
| EMBL | CAG38743 |
| GB | AAA20888 AAA57456 AAA74301 AAB51285 AAC36131 |
| PRF | 2111247A 2124426A |
| REF | NP_001003206 NP_001136366 NP_001161985 NP_001161986 NP_036081 |
| SP | O02812 P47811 P70618 Q16539 |
| AlphaFold | O02812 P47811 P70618 Q16539 |