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Structure of cardiac native thin filament at PCA=5.8 having upper troponin in CA2+ bound state and lower troponin in CA2+ free state

Analyse Structure of cardiac native thin filament at PCA=5.8 having upper troponin in… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7KOR
Type
protein
Length
7,717 residues
Chains
29
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Actin, alpha skeletal muscle; Tropomyosin alpha-1 chain; Troponin T, cardiac muscle…
Pockets
20 · best druggability 0.85

Structure

electron microscopy · 8 distinct chains · 70% helix, 5% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, C, D, E, F, G, H, I, J, K, L, M, N, OActin, alpha skeletal muscleprotein37541% helix, 18% strand—
P, Q, W, XTropomyosin alpha-1 chainprotein27498% helix, 0% strand—
R, S, Y, ZTropomyosin alpha-1 chainprotein2990% helix, 0% strand—
TTroponin T, cardiac muscleprotein13888% helix, 0% strand—
UTroponin I, cardiac muscleprotein12673% helix, 0% strand—
V, cTroponin Cprotein16056% helix, 1% strand—
aTroponin T, cardiac muscleprotein12687% helix, 0% strand—
bTroponin I, cardiac muscleprotein17068% helix, 1% strand—

Pockets

20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110560.850.86119empty
210940.850.86113empty
310180.850.86112empty
411660.820.83107empty
58740.820.8497empty

Interfaces

89 interfaces between chains.

  • W–X · 6918 Ų buried · 42 hydrogen bonds · protein-protein
  • P–Q · 6903 Ų buried · 28 hydrogen bonds · protein-protein
  • a–b · 2346 Ų buried · 30 hydrogen bonds · protein-protein
  • T–U · 2036 Ų buried · 40 hydrogen bonds · protein-protein
  • U–V · 1810 Ų buried · 30 hydrogen bonds · protein-protein

Compared structures

  • 7KOR · Structure of cardiac native thin filament at pCa=5.8 having upper troponin in Ca2+ bound… · the same entry in another collection · chain O against O, TM-score 1.00

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