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Structure of the oligomerisation domain of calcium-calmodulin dependent protein kinase II gamma

Analyse Structure of the oligomerisation domain of calcium-calmodulin dependent protein… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2UX0
Type
protein
Length
815 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v2 / PDB Bank
Contract
0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner
0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution
2.46
Source
HOMO SAPIENS
Molecule
Calcium-calmodulin dependent protein kinase (cam kinase) II gamma
EC
2.7.1.123
UniProt
Q8N4I3
Ligands
GLY
Pockets
6 · best druggability 0.72

Structure

x-ray diffraction · resolution 2.46 · 5 distinct chains · 36% helix, 45% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, CCalcium-calmodulin dependent protein kinase (cam kinase) II gamma (EC 2.7.1.123)protein13735% helix, 45% strandQ8N4I3
BCalcium-calmodulin dependent protein kinase (cam kinase) II gamma (EC 2.7.1.123)protein13637% helix, 45% strandQ8N4I3
DCalcium-calmodulin dependent protein kinase (cam kinase) II gamma (EC 2.7.1.123)protein13636% helix, 45% strandQ8N4I3
ECalcium-calmodulin dependent protein kinase (cam kinase) II gamma (EC 2.7.1.123)protein13536% helix, 45% strandQ8N4I3
FCalcium-calmodulin dependent protein kinase (cam kinase) II gamma (EC 2.7.1.123)protein13435% helix, 46% strandQ8N4I3

Ligands and binding sites

  • GLY · Glycine · ligand · 5 copies · chains A, B, C, D, E

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

Pockets

6 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15570.720.8033GLY
25320.720.8033GLY
35090.710.8033GLY
45060.700.8034GLY
54620.690.7931empty

Interfaces

6 interfaces between chains.

  • A–B · 591 Ų buried · 8 hydrogen bonds · protein-protein
  • A–F · 590 Ų buried · 9 hydrogen bonds · protein-protein
  • D–E · 585 Ų buried · 9 hydrogen bonds · protein-protein
  • B–C · 585 Ų buried · 8 hydrogen bonds · protein-protein
  • C–D · 576 Ų buried · 6 hydrogen bonds · protein-protein

Compared structures

  • 2UX0 · Structure of the oligomerisation domain of calcium-calmodulin dependent protein kinase II… · the same entry in another collection · chain A against A, TM-score 1.00

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