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Crystal structure of maize CK2 in complex with nbc (Z1)

Analyse Crystal structure of maize CK2 in complex with nbc (Z1) in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3PWD
Type
protein
Length
327 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Casein kinase II subunit alpha
EC
2.7.11.1
UniProt
P28523
Ligands
CZ0
Pockets
4 · best druggability 0.69

Structure

x-ray diffraction · 1 distinct chain · 42% helix, 15% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACasein kinase II subunit alpha (EC 2.7.11.1)protein32742% helix, 15% strandP28523

Ligands and binding sites

  • CZ0 · 8-hydroxy-4-methyl-9-nitro-2H-benzo[g]chromen-2-one · ligand · chains A

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

Pockets

4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13790.690.8145CZ0
2540.580.9119empty
3610.320.7515empty
4550.300.7514empty

Compared structures

  • 3PWD · Crystal structure of maize CK2 in complex with NBC (Z1) · the same entry in another collection · chain A against A, TM-score 1.00
  • P28523 · AlphaFold monomer V2.0 prediction for casein kinase II subunit alpha (P28523) · a predicted model of the same protein · chain A against A, TM-score 0.99

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