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MolNFT v1 · #42717 · protein

Solution structure of the regulatory domain of human cardiac troponin C in complex with the switch region of cardiac troponin I and W7

2KRD · Troponin C, slow skeletal and cardiac muscles: “Solution structure of the regulatory domain of human cardiac troponin C in complex with the switch region of…”. Solution nmr, 2 ligands (WW7, CA), 1 pocket (best druggability 0.63).…

PDB
2KRD
Type
protein
Length
106 residues
Chains
2
Method
solution nmr
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Troponin C, slow skeletal and cardiac muscles; Troponin I, cardiac muscle
UniProt
P63316, P19429
Ligands
WW7, CA
Pockets
1 · best druggability 0.63

Structure

solution nmr · 2 distinct chains · 53% helix, 4% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
CTroponin C, slow skeletal and cardiac musclesprotein8958% helix, 4% strandP63316
ITroponin I, cardiac muscleprotein1724% helix, 0% strandP19429

Ligands and binding sites

  • WW7 · N-(6-aminohexyl)-5-chloro-1-naphthalenesulfonamide · ligand · chains C, I
  • CA · Calcium ion · metal · chains C

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11980.630.8325WW7

Interfaces

1 interface between chains.

  • C–I · 570 Ų buried · 3 hydrogen bonds · protein-protein

Compared structures

  • 2KRD · Solution Structure of the Regulatory Domain of Human Cardiac Troponin C in Complex with… · the same entry in another collection · chain C against C, TM-score 1.00
  • P63316 · AlphaFold monomer V2.0 prediction for troponin C, slow skeletal and cardiac muscles… · a predicted model of the same protein · chain C against A, TM-score 0.66
  • P19429 · AlphaFold monomer V2.0 prediction for troponin I, cardiac muscle (P19429) · a predicted model of the same protein · chain I against A, TM-score 0.30

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