› 7kaa

Solution NMR

NMR solution structures of tirasemtiv drug bound to a fast skeletal troponin C-troponin I complex

Released:
DOI: 10.2210/pdb7kaa/pdb
PDB entry 7kaa coloured by chain, ensemble of 25 models, front view.
PDB entry 7kaa coloured by chain, ensemble of 25 models, side view.
PDB entry 7kaa coloured by chain, ensemble of 25 models, top view.
Source organism: Homo sapiens
Primary publication:
Structural Basis of Tirasemtiv Activation of Fast Skeletal Muscle.
Li MX, Mercier P, Hartman JJ, Sykes BD
J Med Chem 64 3026-3034 (2021)
PMID: 33703886

Function and Biology Details

Biochemical function:
Biological process:
  • not assigned
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-135937 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Troponin C, skeletal muscle; Troponin I, fast skeletal muscle Chain: A
Molecule details ›
Chain: A
Length: 152 amino acids
Theoretical weight: 17.1 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P02585 (Residues: 1-88; Coverage: 55%)
  • Canonical: P48788 (Residues: 99-148; Coverage: 28%)
Gene names: TNNC2, TNNI2
Sequence domains:

Ligands and Environments

2 bound ligands:
Ligand CA 1 x CA
Ligand W97 1 x W97
No modified residues

Experiments and Validation Details

Entry percentile scores
Chemical shift assignment: 79%
Refinement method: simulated annealing
Expression system: Escherichia coli

Quick links

Citations

3 review citations

Status of ALS Treatment, Insights into Therapeutic Challenges and Dilemmas.
Khamaysa et al. (2022)
2 more