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X-ray structure of CLK4-KD(146-480)/CX-4945 at 2.46A

Analyse X-ray structure of CLK4-KD(146-480)/CX-4945 at 2.46A in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6FYV
Type
protein
Length
329 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Dual specificity protein kinase CLK4
EC
2.7.12.1
UniProt
Q9HAZ1
Ligands
3NG, SO4
Pockets
1 · best druggability 0.67

Structure

x-ray diffraction · 1 distinct chain · 40% helix, 19% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ADual specificity protein kinase CLK4 (EC 2.7.12.1)protein32940% helix, 19% strandQ9HAZ1

Ligands and binding sites

  • 3NG · 5-[(3-chlorophenyl)amino]benzo[c][2,6]naphthyridine-8-carboxylic acid · ligand · 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

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13980.670.80473NG

Compared structures

  • 6FYV · X-ray structure of CLK4-KD(146-480)/CX-4945 at 2.46A · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9HAZ1 · AlphaFold monomer V2.0 prediction for dual specificity protein kinase CLK4 (Q9HAZ1) · a predicted model of the same protein · chain A against A, TM-score 0.99

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