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Crystal structure of the N-terminal domain of the yeast general corepressor TUP1P mutant

Analyse Crystal structure of the N-terminal domain of the yeast general corepressor… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3VP9
Type
protein
Length
147 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
General transcriptional corepressor TUP1
UniProt
P16649
Pockets
1 · best druggability 0.46

Structure

x-ray diffraction · 2 distinct chains · 84% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AGeneral transcriptional corepressor TUP1protein7083% helix, 0% strandP16649
BGeneral transcriptional corepressor TUP1protein7784% helix, 0% strandP16649

Ligands and binding sites

  • DIO · 1,4-diethylene dioxide · additive · 4 copies · chains A, B

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
1830.460.8117DIO

Interfaces

1 interface between chains.

  • A–B · 1708 Ų buried · 11 hydrogen bonds · protein-protein

Compared structures

  • 3VP9 · Crystal structure of the N-terminal domain of the yeast general corepressor Tup1p mutant · the same entry in another collection · chain A against A, TM-score 1.00
  • P16649 · AlphaFold monomer V2.0 prediction for general transcriptional corepressor TUP1 (P16649) · a predicted model of the same protein · chain A against A, TM-score 0.84

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