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Isometrically contracting insect asynchronous flight muscle

Analyse Isometrically contracting insect asynchronous flight muscle in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2W49
Type
protein
Length
8,776 residues
Chains
36
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Troponin C, skeletal muscle; Troponin T, fast skeletal muscle isoforms; Troponin I, fast…
UniProt
P02588, P12620, P68246, P58772, P68135
Ligands
CA
Pockets
20 · best druggability 0.80

Structure

electron microscopy · 6 distinct chains · 68% helix, 7% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
0, 3, 6, 9Troponin C, skeletal muscleprotein15963% helix, 3% strandP02588
1, 4, 7, YTroponin T, fast skeletal muscle isoformsprotein9077% helix, 0% strandP12620
2, 5, 8, ZTroponin I, fast skeletal muscleprotein14165% helix, 0% strandP68246
A, B, U, VTropomyosin alpha-1 chainprotein27799% helix, 0% strandP58772
C, T, W, XTropomyosin alpha-1 chainprotein3995% helix, 0% strandP58772
D, E, F, G, H, I, J, K, L, M, N, O, P, Q, R, SActin, alpha skeletal muscleprotein37242% helix, 20% strandP68135

Ligands and binding sites

  • CA · Calcium ion · metal · 16 copies · chains 0, Y, 3, 1, 6, 4, 9, 7

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110730.800.81108empty
29310.790.8194empty
311370.780.80102empty
49390.780.8099empty
510060.780.8097empty

Interfaces

92 interfaces between chains.

  • U–V · 7378 Ų buried · 47 hydrogen bonds · protein-protein
  • A–B · 7372 Ų buried · 47 hydrogen bonds · protein-protein
  • Y–Z · 2430 Ų buried · 21 hydrogen bonds · protein-protein
  • 7–8 · 2420 Ų buried · 21 hydrogen bonds · protein-protein
  • 1–2 · 2419 Ų buried · 21 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 1 isopeptide (isopeptide).

Compared structures

  • 2W49 · Isometrically contracting insect asynchronous flight muscle · the same entry in another collection · chain 6 against 6, TM-score 1.00

Analyse

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