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MolNFT v1 · #179959 · protein

Cocrystal structure of human camkii-alpha (CAMK2A)KINASE domain and GLUN2B(S1303D)

7KL2 · CALCIUM/CALMODULIN-dependent protein kinase type II subunit…: “Cocrystal structure of human camkii-alpha (CAMK2A)KINASE domain and GLUN2B(S1303D)”. X-ray diffraction, 3 pockets (best druggability 0.70). MolNFT v1 #179959 on…

PDB
7KL2
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…
EC
2.7.11.17
UniProt
Q9UQM7, Q13224
Pockets
3 · best druggability 0.70

Structure

x-ray diffraction · 2 distinct chains · 35% helix, 17% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACALCIUM/CALMODULIN-dependent protein kinase type II subunit alpha (EC 2.7.11.17)protein26837% helix, 18% strandQ9UQM7
BGlutamate receptor ionotropic, NMDA 2Bprotein160% helix, 6% strandQ13224

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15770.700.7944empty
2760.400.7917empty
3590.290.7414empty

Interfaces

1 interface between chains.

  • A–B · 1091 Ų buried · 21 hydrogen bonds · protein-protein

Compared structures

  • 7KL2 · Cocrystal structure of human CaMKII-alpha (CAMK2A)kinase domain and GluN2B(S1303D) · the same entry in another collection · chain B against B, 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
  • Q13224 · AlphaFold monomer V2.0 prediction for glutamate receptor ionotropic, NMDA 2B (Q13224) · a predicted model of the same protein · chain B against A, TM-score 0.30

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