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Structure of 14-3-3 zeta in complex with ASK1 14-3-3 binding motif

Analyse Structure of 14-3-3 zeta in complex with ASK1 14-3-3 binding motif in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6EJL
Type
protein
Length
463 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
14-3-3 protein ZETA/DELTA; Mitogen-activated protein kinase kinase kinase 5
EC
2.7.11.25
UniProt
P63104, Q99683
Pockets
3 · best druggability 0.59

Structure

x-ray diffraction · 4 distinct chains · 81% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A14-3-3 protein ZETA/DELTAprotein22585% helix, 0% strandP63104
B14-3-3 protein ZETA/DELTAprotein22582% helix, 0% strandP63104
CMitogen-activated protein kinase kinase kinase 5 (EC 2.7.11.25)protein60% helix, 0% strandQ99683
DMitogen-activated protein kinase kinase kinase 5 (EC 2.7.11.25)protein70% helix, 0% strandQ99683

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11860.590.8226empty
23170.550.7526empty
3740.450.8118empty

Interfaces

3 interfaces between chains.

  • A–B · 1075 Ų buried · 15 hydrogen bonds · protein-protein
  • B–D · 569 Ų buried · 14 hydrogen bonds · protein-protein
  • A–C · 502 Ų buried · 14 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 modified (phosphorylation).

Compared structures

  • 6EJL · Structure of 14-3-3 zeta in complex with ASK1 14-3-3 binding motif · the same entry in another collection · chain D against D, 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 A against A, TM-score 0.99
  • Q99683 · AlphaFold monomer V2.0 prediction for mitogen-activated protein kinase kinase kinase 5… · a predicted model of the same protein · chain C against A, TM-score 0.65

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