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MolNFT v1 · #168076 · protein

Camkii alpha-30 cryo-EM reconstruction - class B

6W4P · CALCIUM/CALMODULIN-dependent protein kinase type II subunit…: “Camkii alpha-30 cryo-EM reconstruction - class B”. Electron microscopy, 20 pockets (best druggability 0.84). MolNFT v1 #168076 on GenesisL1: 3D structure, binding sites…

PDB
6W4P
Type
protein
Length
1,789 residues
Chains
13
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
CALCIUM/CALMODULIN-dependent protein kinase type II subunit alpha
EC
2.7.11.17
UniProt
Q9UQM7
Pockets
20 · best druggability 0.84

Structure

electron microscopy · 6 distinct chains · 32% helix, 38% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, GCALCIUM/CALMODULIN-dependent protein kinase type II subunit alpha (EC 2.7.11.17)protein12830% helix, 46% strandQ9UQM7
B, ICALCIUM/CALMODULIN-dependent protein kinase type II subunit alpha (EC 2.7.11.17)protein12629% helix, 48% strandQ9UQM7
C, JCALCIUM/CALMODULIN-dependent protein kinase type II subunit alpha (EC 2.7.11.17)protein12627% helix, 46% strandQ9UQM7
D, E, K, LCALCIUM/CALMODULIN-dependent protein kinase type II subunit alpha (EC 2.7.11.17)protein12328% helix, 48% strandQ9UQM7
F, MCALCIUM/CALMODULIN-dependent protein kinase type II subunit alpha (EC 2.7.11.17)protein12225% helix, 49% strandQ9UQM7
HCALCIUM/CALMODULIN-dependent protein kinase type II subunit alpha (EC 2.7.11.17)protein29341% helix, 18% strandQ9UQM7

Pockets

20 pockets found on a 1 Å grid, 12 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110530.840.85116empty
24360.690.8139empty
34030.680.8034empty
43940.670.8035empty
54090.670.7931empty

Interfaces

32 interfaces between chains.

  • C–J · 1147 Ų buried · 9 hydrogen bonds · protein-protein
  • F–L · 1136 Ų buried · 8 hydrogen bonds · protein-protein
  • E–M · 1131 Ų buried · 9 hydrogen bonds · protein-protein
  • A–G · 1131 Ų buried · 9 hydrogen bonds · protein-protein
  • D–I · 1093 Ų buried · 9 hydrogen bonds · protein-protein

Compared structures

  • Q9UQM7 · AlphaFold monomer V2.0 prediction for CALCIUM/CALMODULIN-dependent protein kinase type II… · a predicted model of the same protein · chain H against A, TM-score 0.98

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