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Crystal structure of human myosin 1C in complex with calmodulin in the pre-power stroke state

Analyse Crystal structure of human myosin 1C in complex with calmodulin in the… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4BYF
Type
protein
Length
1,690 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Unconventional myosin-ic; Calmodulin
EC
3.6.4.1
UniProt
O00159, P62158
Ligands
AOV, MG
Pockets
20 · best druggability 0.79

Structure

x-ray diffraction · 4 distinct chains · 51% helix, 12% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AUnconventional myosin-ic (EC 3.6.4.1)protein69850% helix, 13% strandO00159
BCalmodulinprotein14858% helix, 8% strandP62158
CUnconventional myosin-ic (EC 3.6.4.1)protein69650% helix, 13% strandO00159
DCalmodulinprotein14859% helix, 8% strandP62158

Ligands and binding sites

  • AOV · Adp orthovanadate · ligand · 2 copies · chains A, C
  • MG · Magnesium ion · metal · 3 copies · chains A, C, D

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18550.790.8255empty
27670.780.8253empty
37930.750.8085MG, AOV
48230.710.7768empty
54460.670.7953MG, AOV

Interfaces

4 interfaces between chains.

  • C–D · 1942 Ų buried · 23 hydrogen bonds · protein-protein
  • A–B · 1909 Ų buried · 21 hydrogen bonds · protein-protein
  • A–D · 351 Ų buried · 5 hydrogen bonds · protein-protein
  • A–C · 319 Ų buried · 0 hydrogen bonds · protein-protein

Compared structures

  • 4BYF · Crystal structure of human Myosin 1c in complex with calmodulin in the pre-power stroke… · the same entry in another collection · chain A against A, TM-score 1.00
  • O00159 · AlphaFold monomer V2.0 prediction for unconventional myosin-ic (O00159) · a predicted model of the same protein · chain A against A, TM-score 0.85

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