BMRB Entry 19935
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR19935
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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:
Dual-phosphorylated_human_p38_alpha, polymer, 367 residues, Formula weight is not available
ADENOSINE-5'-DIPHOSPHATE, non-polymer, 427.201 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: pET15b
Entity Sequences (FASTA):
Dual-phosphorylated_human_p38_alpha: MAHHHHHHSQERPTFYRQEL
NKTIWEVPERYQNLSPVGSG
AYGSVCAAFDTKTGLRVAVK
KLSRPFQSIIHAKRTYRELR
LLKHMKHENVIGLLDVFTPA
RSLEEFNDVYLVTHLMGADL
NNIVKCQKLTDDHVQFLIYQ
ILRGLKYIHSADIIHRDLKP
SNLAVNEDCELKILDFGLAR
HTDDEMXGXVATRWYRAPEI
MLNWMHYNQTVDIWSVGCIM
AELLTGRTLFPGTDHIDQLK
LILRLVGTPGAELLKKISSE
SARNYIQSLTQMPKMNFANV
FIGANPLAVDLLEKMLVLDS
DKRITAAQALAHAYFAQYHD
PDDEPVADPYDQSFESRDLL
IDEWKSLTYDEVISFVPPPL
DQEEMES
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 378 |
| 13C chemical shifts | 126 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | dual-phosphorylated human p38 alpha (apo) | 1 |
| 2 | ADP | 2 |
Entities:
Entity 1, dual-phosphorylated human p38 alpha (apo) 367 residues - Formula weight is not available
Residues 2-8 represent a non-native affinity tag. Thr-180 and Tyr-182 in native sequence are phosphorylated.
| 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 | TPO | GLY | PTR | 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 |
Entity 2, ADP - 427.201 Da.
| 1 | ADP |