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Crystal structure of AMPPNP bound Ck1a alpha from C. neoformans

Analyse Crystal structure of AMPPNP bound Ck1a alpha from C. neoformans in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6K77
Type
protein
Length
330 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v2 / PDB Bank
Contract
0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner
0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution
2.4
Source
Cryptococcus neoformans var. grubii Bt85
Molecule
Casein kinase II subunit alpha
UniProt
A0A226BA59
Ligands
ANP, MG, SO4
Pockets
3 · best druggability 0.73

Structure

x-ray diffraction · resolution 2.4 · 1 distinct chain · 45% helix, 15% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACasein kinase II subunit alphaprotein33045% helix, 15% strandA0A226BA59

Ligands and binding sites

  • ANP · Phosphoaminophosphonic acid-adenylate ester · ligand · chains A
  • MG · Magnesium ion · metal · chains A
  • SO4 · Sulfate ion · ion · 3 copies · chains A

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
15000.730.8149ANP, MG, SO4
2610.400.8114empty
3580.350.7812empty

Compared structures

  • 6K77 · Crystal structure of amppnp bound CK1A alpha from C. neoformans · the same entry in another collection · chain A against A, TM-score 1.00

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