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NMR structure of the cntnc-ctni chimera bound to A7

Analyse NMR structure of the cntnc-ctni chimera bound to A7 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7JGI
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 chimera
UniProt
P63316, P19429
Ligands
V8Y, CA
Pockets
1 · best druggability 0.62

Structure

solution nmr · 1 distinct chain · 52% helix, 3% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ATroponin C, slow skeletal and cardiac MUSCLES,TROPONIN I, cardiac muscle chimeraprotein12552% helix, 3% strandP63316, P19429

Ligands and binding sites

  • V8Y · 7-{[(5-chloronaphthalen-1-yl)sulfonyl]amino}heptanoic acid · 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
12140.620.8241V8Y

Compared structures

  • 7JGI · NMR structure of the cNTnC-cTnI chimera bound to A7 · 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 0.22

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