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Troponin of cardiac thin filament in high-calcium state

Analyse Troponin of cardiac thin filament in high-calcium state in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6KLU
Type
protein
Length
332 residues
Chains
3
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Troponin C, slow skeletal and cardiac muscles; Troponin T, cardiac muscle; Troponin I…
UniProt
P19123, P50752, P48787
Ligands
CA
Pockets
6 · best druggability 0.64

Structure

electron microscopy · 3 distinct chains · 70% helix, 2% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ATroponin C, slow skeletal and cardiac musclesprotein15062% helix, 4% strandP19123
BTroponin T, cardiac muscleprotein7474% helix, 0% strandP50752
CTroponin I, cardiac muscleprotein10877% helix, 0% strandP48787

Ligands and binding sites

  • CA · Calcium ion · metal · 3 copies · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

6 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13750.640.7843empty
2700.500.8421empty
31150.450.7820empty
4690.350.7613empty
5770.330.7517empty

Interfaces

3 interfaces between chains.

  • B–C · 2156 Ų buried · 21 hydrogen bonds · protein-protein
  • A–C · 1325 Ų buried · 10 hydrogen bonds · protein-protein
  • A–B · 415 Ų buried · 10 hydrogen bonds · protein-protein

Compared structures

  • 6KLU · Troponin of cardiac thin filament in high-calcium state · the same entry in another collection · chain A against A, TM-score 1.00
  • P50752 · AlphaFold monomer V2.0 prediction for troponin T, cardiac muscle (P50752) · a predicted model of the same protein · chain B against A, TM-score 0.90
  • P48787 · AlphaFold monomer V2.0 prediction for troponin I, cardiac muscle (P48787) · a predicted model of the same protein · chain C against A, TM-score 0.69
  • P19123 · AlphaFold monomer V2.0 prediction for troponin C, slow skeletal and cardiac muscles… · a predicted model of the same protein · chain A against A, TM-score 0.55

Analyse

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