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Myosin VI (md-INSERT2-cam, delta INSERT1) post-rigor state ( crystal form 2)

Analyse Myosin VI (md-INSERT2-cam, delta INSERT1) post-rigor state ( crystal form 2) in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2VB6
Type
protein
Length
869 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Myosin VI; Calmodulin
UniProt
Q29122, P62149
Ligands
ADP, BEF, CA, MG
Pockets
7 · best druggability 0.77

Structure

x-ray diffraction · 2 distinct chains · 52% helix, 13% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AMyosin VIprotein72451% helix, 15% strandQ29122
BCalmodulinprotein14558% helix, 4% strandP62149

Ligands and binding sites

  • ADP · Adenosine-5'-diphosphate · ligand · chains A
  • BEF · Beryllium trifluoride ion · ligand · chains A
  • CA · Calcium ion · metal · 4 copies · chains B
  • MG · Magnesium ion · metal · chains A

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

Pockets

7 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
111620.770.79126ADP, BEF, MG
210800.740.77102empty
3780.730.9723empty
41480.440.7627empty
51040.390.7523empty

Interfaces

1 interface between chains.

  • A–B · 2460 Ų buried · 28 hydrogen bonds · protein-protein

Compared structures

  • 2VB6 · Myosin VI (MD-insert2-CaM, Delta Insert1) Post-rigor state (crystal form 2) · the same entry in another collection · chain A against A, TM-score 1.00
  • Q29122 · AlphaFold monomer V2.0 prediction for unconventional myosin-VI (Q29122) · a predicted model of the same protein · chain A against A, TM-score 0.82
  • P62149 · AlphaFold monomer V2.0 prediction for calmodulin (P62149) · a predicted model of the same protein · chain B against A, TM-score 0.48

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