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Cocrystal structure of human camkii-alpha (CAMK2A)KINASE domain and GLUA1

Analyse Cocrystal structure of human camkii-alpha (CAMK2A)KINASE domain and GLUA1 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6X5Q
Type
protein
Length
284 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
CALCIUM/CALMODULIN-dependent protein kinase type II subunit alpha; Glutamate receptor 1
EC
2.7.11.17
UniProt
Q9UQM7, P42261
Pockets
3 · best druggability 0.68

Structure

x-ray diffraction · 2 distinct chains · 39% helix, 19% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACALCIUM/CALMODULIN-dependent protein kinase type II subunit alpha (EC 2.7.11.17)protein26740% helix, 20% strandQ9UQM7
BGlutamate receptor 1protein1724% helix, 0% strandP42261

Ligands and binding sites

  • GOL · Glycerol · additive · 3 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16120.680.7751empty
2900.350.7421GOL
3600.340.7719empty

Interfaces

1 interface between chains.

  • A–B · 814 Ų buried · 9 hydrogen bonds · protein-protein

Compared structures

  • 6X5Q · Cocrystal structure of human CaMKII-alpha (CAMK2A)kinase domain and GluA1 · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9UQM7 · AlphaFold monomer V2.0 prediction for CALCIUM/CALMODULIN-dependent protein kinase type II… · a predicted model of the same protein · chain A against A, TM-score 0.96
  • P42261 · AlphaFold monomer V2.0 prediction for glutamate receptor 1 (P42261) · a predicted model of the same protein · chain B against A, TM-score 0.36

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