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MolNFT v1 · #10114 · protein

Structure of the C-domain of human cardiac troponin C in complex with CA2+ sensitizer emd 57033

1IH0 · Troponin C, slow skeletal and cardiac muscles: “Structure of the C-domain of human cardiac troponin C in complex with CA2+ sensitizer emd 57033”. Solution nmr, 2 ligands (EMD, CA), 1 pocket (best druggability 0.55). MolNFT v1 #10114…

PDB
1IH0
Type
protein
Length
71 residues
Chains
1
Method
solution nmr
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Troponin C, slow skeletal and cardiac muscles
UniProt
P63316
Ligands
EMD, CA
Pockets
1 · best druggability 0.55

Structure

solution nmr · 1 distinct chain · 51% helix, 6% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ATroponin C, slow skeletal and cardiac musclesprotein7151% helix, 6% strandP63316

Ligands and binding sites

  • EMD · 5-[1-(3,4-dimethoxy-benzoyl)-1,2,3,4-tetrahydro-quinolin-6-yl]-6-methyl-3,6-dihydro-[1,3,4]thiadiazin-2-one · ligand · chains A
  • CA · Calcium ion · metal · 2 copies · chains A

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
1940.550.8417EMD

Compared structures

  • 1IH0 · Structure of the C-domain of Human Cardiac Troponin C in Complex with Ca2+ Sensitizer EMD… · the same entry in another collection · chain A against A, 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 A against A, TM-score 0.78

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