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Cryo-EM structure of the C-terminal half of the PARKINSON'S disease- linked protein leucine rich repeat kinase 2 (LRRK2)

Analyse Cryo-EM structure of the C-terminal half of the PARKINSON'S disease- linked… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6VP8
Type
protein
Length
1,668 residues
Chains
3
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Leucine-rich repeat SERINE/THREONINE-protein kinase 2
EC
2.7.11.1, 3.6.5.-
UniProt
Q5S007
Pockets
20 · best druggability 0.79

Structure

electron microscopy · 3 distinct chains · 24% helix, 33% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ALeucine-rich repeat SERINE/THREONINE-protein kinase 2 (EC 2.7.11.1, 3.6.5.-)protein108430% helix, 28% strandQ5S007
BLeucine-rich repeat SERINE/THREONINE-protein kinase 2 (EC 2.7.11.1, 3.6.5.-)protein26523% helix, 26% strandQ5S007
CLeucine-rich repeat SERINE/THREONINE-protein kinase 2 (EC 2.7.11.1, 3.6.5.-)protein3197% helix, 55% strandQ5S007

Pockets

20 pockets found on a 1 Å grid, 16 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19470.790.8195empty
211540.780.8089empty
3990.740.9417empty
44360.720.8252empty
56040.680.7762empty

Interfaces

2 interfaces between chains.

  • A–B · 1058 Ų buried · 13 hydrogen bonds · protein-protein
  • A–C · 992 Ų buried · 13 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 1 modified (phosphorylation).

Compared structures

  • 6VP8 · Cryo-EM structure of the C-terminal half of the Parkinson's Disease-linked protein… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q5S007 · AlphaFold monomer V2.0 prediction for leucine-rich repeat SERINE/THREONINE-protein kinase… · a predicted model of the same protein · chain C against A, TM-score 0.98

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