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Smooth muscle myosin shutdown state heads region

Analyse Smooth muscle myosin shutdown state heads region in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6Z47
Type
protein
Length
2,888 residues
Chains
8
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Myosin heavy chain 11; Myosin light chain smooth muscle isoform; Myosin light chain 9
UniProt
G1N5L2, Q6W5H0, G3URE9
Ligands
ADP, MG, PO4
Pockets
20 · best druggability 0.81

Structure

electron microscopy · 4 distinct chains · 61% helix, 9% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BMyosin heavy chain 11protein88854% helix, 13% strandG1N5L2
C, DMyosin light chain smooth muscle isoformprotein15049% helix, 4% strandQ6W5H0
E, FMyosin light chain 9protein14958% helix, 5% strandG3URE9
G, HMyosin heavy chain 11protein25796% helix, 0% strandG1N5L2

Ligands and binding sites

  • ADP · Adenosine-5'-diphosphate · ligand · 2 copies · chains A, B
  • MG · Magnesium ion · metal · 4 copies · chains A, B, E, F
  • PO4 · Phosphate ion · ion · 2 copies · chains A, B

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
19860.810.8293empty
210810.810.8290empty
31660.790.9438empty
45450.780.8563empty
58770.770.8083empty

Interfaces

16 interfaces between chains.

  • G–H · 6768 Ų buried · 40 hydrogen bonds · protein-protein
  • A–B · 3458 Ų buried · 35 hydrogen bonds · protein-protein
  • A–C · 1985 Ų buried · 25 hydrogen bonds · protein-protein
  • A–E · 1967 Ų buried · 20 hydrogen bonds · protein-protein
  • B–F · 1926 Ų buried · 20 hydrogen bonds · protein-protein

Compared structures

  • 6Z47 · Smooth muscle myosin shutdown state heads region · the same entry in another collection · chain A against A, TM-score 1.00

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