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Monophosphorylated PSER33 B-catenin peptide bound to B-TRCP/SKP1 complex

Analyse Monophosphorylated PSER33 B-catenin peptide bound to B-TRCP/SKP1 complex in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6M94
Type
protein
Length
544 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
F-BOX/WD repeat-containing protein 1A; S-phase kinase-associated protein 1; Catenin beta-1
UniProt
Q9Y297, P63208, P35222
Ligands
PO4
Pockets
1 · best druggability 0.50

Structure

x-ray diffraction · 3 distinct chains · 30% helix, 34% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AF-BOX/WD repeat-containing protein 1Aprotein40222% helix, 43% strandQ9Y297
BS-phase kinase-associated protein 1protein13358% helix, 9% strandP63208
CCatenin beta-1protein90% helix, 0% strandP35222

Ligands and binding sites

  • PO4 · Phosphate ion · ion · chains A
  • DMS · Dimethyl sulfoxide · additive · chains A, C

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
12930.500.7336PO4

Interfaces

2 interfaces between chains.

  • A–B · 1430 Ų buried · 13 hydrogen bonds · protein-protein
  • A–C · 545 Ų buried · 17 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 1 modified (phosphorylation).

Compared structures

  • 6M94 · Monophosphorylated pSer33 b-Catenin peptide bound to b-TrCP/Skp1 Complex · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9Y297 · AlphaFold monomer V2.0 prediction for F-BOX/WD repeat-containing protein 1A (Q9Y297) · a predicted model of the same protein · chain A against A, TM-score 0.99
  • P63208 · AlphaFold monomer V2.0 prediction for S-phase kinase-associated protein 1 (P63208) · a predicted model of the same protein · chain B against A, TM-score 0.94
  • P35222 · AlphaFold monomer V2.0 prediction for catenin beta-1 (P35222) · a predicted model of the same protein · chain C against A, TM-score 0.47

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