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Homology model of the in situ actomyosin complex from the a-band of mouse psoas muscle sarcomere in the rigor state

Analyse Homology model of the in situ actomyosin complex from the a-band of mouse psoas… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7NEP
Type
protein
Length
7,276 residues
Chains
21
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Actin, alpha skeletal muscle; Tropomyosin alpha-1 chain; Myosin-4; Myosin light chain…
UniProt
P68134, P58771, Q5SX39, P05977, P97457
Pockets
20 · best druggability 0.84

Structure

electron microscopy · 6 distinct chains · 58% helix, 11% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, C, D, E, F, G, H, I, J, KActin, alpha skeletal muscleprotein37439% helix, 19% strandP68134
P, QTropomyosin alpha-1 chainprotein23399% helix, 0% strandP58771
T, UTropomyosin alpha-1 chainprotein24399% helix, 0% strandP58771
L, MMyosin-4protein81345% helix, 15% strandQ5SX39
N, OMyosin light chain 1/3, skeletal muscle isoformprotein14849% helix, 8% strandP05977
R, SMyosin regulatory light chain 2, skeletal muscle isoformprotein14451% helix, 5% strandP97457

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19390.840.8696empty
29280.790.8287empty
36420.790.8461empty
41300.790.9736empty
51340.780.9636empty

Interfaces

50 interfaces between chains.

  • T–U · 6401 Ų buried · 44 hydrogen bonds · protein-protein
  • P–Q · 6154 Ų buried · 42 hydrogen bonds · protein-protein
  • L–R · 1967 Ų buried · 17 hydrogen bonds · protein-protein
  • M–S · 1934 Ų buried · 18 hydrogen bonds · protein-protein
  • L–N · 1563 Ų buried · 16 hydrogen bonds · protein-protein

Compared structures

  • 7NEP · Homology model of the in situ actomyosin complex from the A-band of mouse psoas muscle… · the same entry in another collection · chain J against J, TM-score 1.00

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