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Tarantula heavy meromyosin obtained by flexible docking to tarantula muscle thick filament cryo-EM 3D-MAP

Analyse Tarantula heavy meromyosin obtained by flexible docking to tarantula muscle… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3DTP
Type
protein
Length
2,566 residues
Chains
6
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Myosin-11,MYOSIN-7; Myosin light polypeptide 6; Myosin II regulatory light chain
UniProt
P10587, P12883, P02607, B4XT43
Pockets
20 · best druggability 0.83

Structure

electron microscopy · 4 distinct chains · 48% helix, 10% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AMyosin-11,MYOSIN-7protein93846% helix, 11% strandP10587, P12883
BMyosin-11,MYOSIN-7protein94050% helix, 10% strandP10587, P12883
C, DMyosin light polypeptide 6protein14854% helix, 7% strandP02607
E, FMyosin II regulatory light chainprotein19647% helix, 4% strandB4XT43

Pockets

20 pockets found on a 1 Å grid, 13 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110840.830.8497empty
2890.780.9821empty
39030.760.7991empty
49810.750.7884empty
52870.740.8738empty

Interfaces

11 interfaces between chains.

  • A–B · 5156 Ų buried · 59 hydrogen bonds · protein-protein
  • B–F · 2591 Ų buried · 57 hydrogen bonds · protein-protein
  • B–D · 2427 Ų buried · 37 hydrogen bonds · protein-protein
  • A–E · 2322 Ų buried · 46 hydrogen bonds · protein-protein
  • E–F · 1601 Ų buried · 45 hydrogen bonds · protein-protein

Compared structures

  • 3DTP · Tarantula heavy meromyosin obtained by flexible docking to Tarantula muscle thick… · the same entry in another collection · chain F against F, TM-score 1.00
  • P02607 · AlphaFold monomer V2.0 prediction for myosin light polypeptide 6 (P02607) · a predicted model of the same protein · chain C against A, TM-score 0.95
  • P10587 · AlphaFold monomer V2.0 prediction for myosin-11 (P10587) · a predicted model of the same protein · chain B against A, TM-score 0.85
  • P12883 · AlphaFold monomer V2.0 prediction for myosin-7 (P12883) · a predicted model of the same protein · chain B against A, TM-score 0.82

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