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Ternary complex of estrogen receptor alpha peptide and 14-3-3 sigma C42 mutant bound to disulfide fragment ppi stabilizer 2

Analyse Ternary complex of estrogen receptor alpha peptide and 14-3-3 sigma C42 mutant… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6HMT
Type
protein
Length
241 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
14-3-3 protein sigma; Estrogen receptor
UniProt
P31947
Ligands
GEH, MG
Pockets
1 · best druggability 0.42

Structure

x-ray diffraction · 2 distinct chains · 79% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A14-3-3 protein sigmaprotein23681% helix, 0% strandP31947
BEstrogen receptorprotein50% helix, 0% strand—

Ligands and binding sites

  • GEH · 2-(4-chloranylphenoxy)-2-methyl-~{N}-(2-sulfanylethyl) propanamide · ligand · chains A, B
  • MG · Magnesium ion · metal · 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, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1880.420.7815GEH

Interfaces

1 interface between chains.

  • A–B · 463 Ų buried · 12 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 1 covalent, 1 modified (covalent ligand, phosphorylation).

Compared structures

  • 6HMT · Ternary complex of Estrogen Receptor alpha peptide and 14-3-3 sigma C42 mutant bound to… · 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

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