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Human 14-3-3 sigma fused to the STARD1 peptide including phosphoserine-57

Analyse Human 14-3-3 sigma fused to the STARD1 peptide including phosphoserine-57 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6T5H
Type
protein
Length
475 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
14-3-3 protein SIGMA,STEROIDOGENIC acute regulatory protein, mitochondrial
UniProt
P31947, P49675
Pockets
4 · best druggability 0.54

Structure

x-ray diffraction · 2 distinct chains · 80% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A14-3-3 protein SIGMA,STEROIDOGENIC acute regulatory protein, mitochondrialprotein23481% helix, 0% strandP31947, P49675
B14-3-3 protein SIGMA,STEROIDOGENIC acute regulatory protein, mitochondrialprotein24180% helix, 0% strandP31947, P49675

Ligands and binding sites

  • PGE · Triethylene glycol · additive · 3 copies · chains A, B
  • IMD · Imidazole · additive · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11780.540.7819IMD
21830.540.7926empty
31720.530.7826empty
41410.400.7425empty

Interfaces

1 interface between chains.

  • A–B · 1505 Ų buried · 36 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 modified (phosphorylation).

Compared structures

  • 6T5H · Human 14-3-3 sigma fused to the StARD1 peptide including phosphoserine-57 · the same entry in another collection · chain A against A, TM-score 1.00
  • P31947 · AlphaFold monomer V2.0 prediction for 14-3-3 protein sigma (P31947) · a predicted model of the same protein · chain A against A, TM-score 0.95
  • P49675 · AlphaFold monomer V2.0 prediction for steroidogenic acute regulatory protein… · a predicted model of the same protein · chain B against A, TM-score 0.30

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