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Crystal structure of YTHDC1 with compound PSI_DC1_004

Analyse Crystal structure of YTHDC1 with compound PSI_DC1_004 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7PJB
Type
protein
Length
326 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Yth domain-containing protein 1
UniProt
Q96MU7
Ligands
7RX, SO4
Pockets
6 · best druggability 0.58

Structure

x-ray diffraction · 2 distinct chains · 33% helix, 26% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AYth domain-containing protein 1protein16435% helix, 26% strandQ96MU7
BYth domain-containing protein 1protein16231% helix, 27% strandQ96MU7

Ligands and binding sites

  • 7RX · (R)-homoproline · ligand · 2 copies · chains A, B
  • SO4 · Sulfate ion · ion · 8 copies · chains A, B
  • GOL · Glycerol · additive · chains B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11150.580.85187RX, SO4
21690.550.80287RX, SO4
3790.450.8017empty
41040.430.7717empty
51010.390.7515empty

Interfaces

1 interface between chains.

  • A–B · 271 Ų buried · 1 hydrogen bond · protein-protein

Compared structures

  • 7PJB · Crystal structure of YTHDC1 with compound PSI_DC1_004 · the same entry in another collection · chain A against A, TM-score 1.00

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