BMRB Entry 31006
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PDB ID: 7uha
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR31006
MolProbity Validation Chart
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
All files associated with the entry
Citation: Cai, F.; Kampourakis, T.; Cockburn, K.; Sykes, B.. "Drugging the Sarcomere, a Delicate Balance: Position of N-Terminal Charge of the Inhibitor W7" ACS Chem. Biol. 17, 1495-1504 (2022).
PubMed: 35649123
Assembly members:
entity_1, polymer, 125 residues, 14186.127 Da.
entity_CA, non-polymer, 40.078 Da.
entity_WW6, non-polymer, 326.842 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 BL21(DE3)
Entity Sequences (FASTA):
entity_1: MDDIYKAAVEQLTEEQKNEF
KAAFDIFVLGAEDGSISTKE
LGKVMRMLGQNPTPEELQEM
IDEVDEDGSGTVDFDEFLVM
MVRSMKDDSKGKFKRPTLRR
VRISADAMMQALLGARAKGH
HHHHH
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 391 |
| 15N chemical shifts | 114 |
| 1H chemical shifts | 800 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | unit_1 | 1 |
| 2 | unit_2 | 2 |
| 3 | unit_3 | 3 |
Entities:
Entity 1, unit_1 125 residues - 14186.127 Da.
| 1 | MET | ASP | ASP | ILE | TYR | LYS | ALA | ALA | VAL | GLU | ||||
| 2 | GLN | LEU | THR | GLU | GLU | GLN | LYS | ASN | GLU | PHE | ||||
| 3 | LYS | ALA | ALA | PHE | ASP | ILE | PHE | VAL | LEU | GLY | ||||
| 4 | ALA | GLU | ASP | GLY | SER | ILE | SER | THR | LYS | GLU | ||||
| 5 | LEU | GLY | LYS | VAL | MET | ARG | MET | LEU | GLY | GLN | ||||
| 6 | ASN | PRO | THR | PRO | GLU | GLU | LEU | GLN | GLU | MET | ||||
| 7 | ILE | ASP | GLU | VAL | ASP | GLU | ASP | GLY | SER | GLY | ||||
| 8 | THR | VAL | ASP | PHE | ASP | GLU | PHE | LEU | VAL | MET | ||||
| 9 | MET | VAL | ARG | SER | MET | LYS | ASP | ASP | SER | LYS | ||||
| 10 | GLY | LYS | PHE | LYS | ARG | PRO | THR | LEU | ARG | ARG | ||||
| 11 | VAL | ARG | ILE | SER | ALA | ASP | ALA | MET | MET | GLN | ||||
| 12 | ALA | LEU | LEU | GLY | ALA | ARG | ALA | LYS | GLY | HIS | ||||
| 13 | HIS | HIS | HIS | HIS | HIS |
Entity 2, unit_2 - Ca - 40.078 Da.
| 1 | CA |
Entity 3, unit_3 - 326.842 Da.
| 1 | WW6 |
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