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NMR structure of the cntnc-ctni chimera bound to W8

Analyse NMR structure of the cntnc-ctni chimera bound to W8 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7UH9
Type
protein
Length
125 residues
Chains
1
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
WW9, CA
Pockets
1 · best druggability 0.66

Structure

solution nmr · 1 distinct chain · 54% helix, 2% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ATroponin C, slow skeletal and cardiac MUSCLES,TROPONIN I, cardiac muscleprotein12554% helix, 2% strandP63316, P19429

Ligands and binding sites

  • WW9 · N-(7-aminoheptyl)-5-chloronaphthalene-1-sulfonamide · ligand · chains A
  • CA · Calcium ion · metal · 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
12750.660.8231WW9

Compared structures

  • 7UH9 · NMR structure of the cNTnC-cTnI chimera bound to W8 · 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 0.65
  • P19429 · AlphaFold monomer V2.0 prediction for troponin I, cardiac muscle (P19429) · a predicted model of the same protein · chain A against A, TM-score 0.23

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