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MolNFT v2 · #222531 · protein

The structure of the native cardiac thin filament troponin core in Ca2+-free tilted state from the upper strand

8UWX · Actin, alpha cardiac muscle 1: “The structure of the native cardiac thin filament troponin core in Ca2+-free tilted state from the upper…”. Electron microscopy at 6.0, 14 pockets (best druggability 0.81). MolNFT v2 #222531 on…

PDB
8UWX
Type
protein
Length
1,281 residues
Chains
7
Method
electron microscopy
Collection
MolNFT v2 / PDB Bank
Contract
0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner
0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution
6.0
Source
Sus scrofa
Molecule
Actin, alpha cardiac muscle 1; Troponin C, slow skeletal and cardiac muscles; Troponin I…
UniProt
B6VNT8, P63317, A0A4X1V710, A0A5G2Q8N0, P42639
Pockets
14 · best druggability 0.81

Structure

electron microscopy · resolution 6.0 · 5 distinct chains · 57% helix, 9% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BActin, alpha cardiac muscle 1protein37539% helix, 18% strandB6VNT8
CTroponin C, slow skeletal and cardiac musclesprotein16052% helix, 1% strandP63317
DTroponin I, cardiac muscleprotein13375% helix, 0% strandA0A4X1V710
ETroponin T2, cardiac typeprotein7478% helix, 0% strandA0A5G2Q8N0
F, GTropomyosin alpha-1 chainprotein8298% helix, 0% strandP42639

Pockets

14 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18930.810.8494empty
28870.750.7987empty
34150.690.8145empty
44850.630.7642empty
52380.600.8033empty

Interfaces

16 interfaces between chains.

  • D–E · 2097 Ų buried · 18 hydrogen bonds · protein-protein
  • F–G · 1901 Ų buried · 10 hydrogen bonds · protein-protein
  • A–B · 1181 Ų buried · 7 hydrogen bonds · protein-protein
  • C–D · 998 Ų buried · 1 hydrogen bond · protein-protein
  • A–D · 740 Ų buried · 5 hydrogen bonds · protein-protein

Compared structures

  • P63317 · 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 0.44

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