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Complex structure of myub (1080-1122) of human myosin VI with K63-diub

Analyse Complex structure of myub (1080-1122) of human myosin VI with K63-diub in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2N13
Type
protein
Length
238 residues
Chains
4
Method
solution nmr
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Unconventional myosin-VI; Ubiquitin
UniProt
Q9UM54, P0CG47
Pockets
3 · best druggability 0.56

Structure

solution nmr · 3 distinct chains · 29% helix, 22% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, DUnconventional myosin-VIprotein4360% helix, 0% strandQ9UM54
BUbiquitinprotein7622% helix, 28% strandP0CG47
CUbiquitinprotein7618% helix, 28% strandP0CG47

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1550.560.9019empty
21160.420.7721empty
3690.320.7516empty

Interfaces

4 interfaces between chains.

  • C–D · 613 Ų buried · 6 hydrogen bonds · protein-protein
  • A–B · 581 Ų buried · 5 hydrogen bonds · protein-protein
  • A–C · 283 Ų buried · 1 hydrogen bond · protein-protein
  • B–C · 171 Ų buried · 2 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 1 isopeptide (isopeptide).

Compared structures

  • 2N13 · Complex structure of MyUb (1080-1122) of human Myosin VI with K63-diUb · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9UM54 · AlphaFold monomer V2.0 prediction for unconventional myosin-VI (Q9UM54) · a predicted model of the same protein · chain A against A, TM-score 0.76

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