› 6b5j

X-ray diffraction
2.97Å resolution

TNNI3K complexed with a 4,6-diaminopyrimidine

Released:
DOI: 10.2210/pdb6b5j/pdb
PDB entry 6b5j coloured by chain, front view.
PDB entry 6b5j coloured by chain, side view.
PDB entry 6b5j coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
4,6-Diaminopyrimidines as Highly Preferred Troponin I-Interacting Kinase (TNNI3K) Inhibitors.
Philp J, Lawhorn BG, Graves AP, Shewchuk L, Rivera KL, Jolivette LJ, Holt DA, Gatto GJ, Kallander LS
J Med Chem 61 3076-3088 (2018)
PMID: 29561151

Function and Biology Details

Reaction catalysed: 
ATP + a protein = ADP + a phosphoprotein
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-176843 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Serine/threonine-protein kinase TNNI3K Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 311 amino acids
Theoretical weight: 34.89 KDa
Source organism: Homo sapiens
Expression system: unidentified baculovirus
UniProt:
  • Canonical: Q59H18 (Residues: 420-730; Coverage: 37%)
Gene names: CARK, TNNI3K
Sequence domains: Protein tyrosine and serine/threonine kinase

Ligands and Environments

1 bound ligand:
Ligand CV4 4 x CV4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU FR-E+ SUPERBRIGHT
Spacegroup: P21
Unit cell:
a: 85.615Å b: 108.193Å c: 92.65Å
α: 90° β: 94.71° γ: 90°
R-values:
R R work R free
0.204 0.201 0.258
Expression system: unidentified baculovirus

Quick links

Citations

1 review citation

The Diverse Roles of TNNI3K in Cardiac Disease and Potential for Treatment.
Pham et al. (2021)
5 other articles

1 mention without citation

The sequence context in poly-alanine regions: structure, function and conservation.
Mier et al. (2022)