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Structure of maternal embryonic leucine zipper kinase

Analyse Structure of maternal embryonic leucine zipper kinase in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5TWL
Type
protein
Length
319 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Maternal embryonic leucine zipper kinase
EC
2.7.11.1, 2.7.10.2
UniProt
Q14680
Ligands
H91
Pockets
3 · best druggability 0.65

Structure

x-ray diffraction · 1 distinct chain · 45% helix, 14% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AMaternal embryonic leucine zipper kinase (EC 2.7.11.1, 2.7.10.2)protein31945% helix, 14% strandQ14680

Ligands and binding sites

  • H91 · 9-(3,5-dichloro-4-hydroxyphenyl)-1-{trans-4-[(dimethylamino)methyl]cyclohexyl}-3,4-dihydropyrimido[5,4-c]quinolin-2(1H)-one · ligand · 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, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13530.650.8039H91
22640.590.7931empty
3590.320.7613empty

Compared structures

  • 5TWL · Structure of Maternal Embryonic Leucine Zipper Kinase · the same entry in another collection · chain A against A, TM-score 1.00
  • Q14680 · AlphaFold monomer V2.0 prediction for maternal embryonic leucine zipper kinase (Q14680) · a predicted model of the same protein · chain A against A, TM-score 0.99

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