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Crystal structure of 14-3-3[ZETA]-LKB1 fusion protein

Analyse Crystal structure of 14-3-3[ZETA]-LKB1 fusion protein in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4ZDR
Type
protein
Length
484 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
14-3-3 protein ZETA/DELTA,GGSGGS LINKER,SERINE/THREONINE- protein kinase STK11
UniProt
P63104, Q15831
Ligands
TME, SO4
Pockets
3 · best druggability 0.61

Structure

x-ray diffraction · 2 distinct chains · 78% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A14-3-3 protein ZETA/DELTA,GGSGGS LINKER,SERINE/THREONINE- protein kinase STK11protein24378% helix, 0% strandP63104, Q15831
B14-3-3 protein ZETA/DELTA,GGSGGS LINKER,SERINE/THREONINE- protein kinase STK11protein24177% helix, 0% strandP63104, Q15831

Ligands and binding sites

  • TME · Propane · ligand · 6 copies · chains A, B
  • SO4 · Sulfate ion · ion · 2 copies · chains A, B
  • GOL · Glycerol · additive · 3 copies · chains A, B

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

Pockets

3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13730.610.7734SO4
22360.600.8030SO4
33340.530.7426empty

Interfaces

1 interface between chains.

  • A–B · 962 Ų buried · 9 hydrogen bonds · protein-protein

Compared structures

  • 4ZDR · Crystal structure of 14-3-3[zeta]-LKB1 fusion protein · the same entry in another collection · chain A against A, TM-score 1.00
  • P63104 · AlphaFold monomer V2.0 prediction for 14-3-3 protein ZETA/DELTA (P63104) · a predicted model of the same protein · chain B against A, TM-score 0.94
  • Q15831 · AlphaFold monomer V2.0 prediction for SERINE/THREONINE-protein kinase STK11 (Q15831) · a predicted model of the same protein · chain B against A, TM-score 0.33

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