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Crystal structure of YTHDF2 with compound ZA_166

Analyse Crystal structure of YTHDF2 with compound ZA_166 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7Z8P
Type
protein
Length
295 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Yth domain-containing family protein 2
UniProt
Q9Y5A9
Ligands
IFZ, SO4
Pockets
2 · best druggability 0.46

Structure

x-ray diffraction · 2 distinct chains · 30% helix, 30% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AYth domain-containing family protein 2protein14731% helix, 30% strandQ9Y5A9
BYth domain-containing family protein 2protein14829% helix, 30% strandQ9Y5A9

Ligands and binding sites

  • IFZ · 3-bromanyl-~{N}-methyl-2~{H}-pyrazolo[4,3-d]pyrimidin-7-amine · ligand · 2 copies · chains A, B
  • SO4 · Sulfate ion · ion · 4 copies · chains A, B
  • GOL · Glycerol · additive · 3 copies · chains B, A

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

Pockets

2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1540.460.8519IFZ
2850.460.8122IFZ

Interfaces

1 interface between chains.

  • A–B · 453 Ų buried · 6 hydrogen bonds · protein-protein

Compared structures

  • 7Z8P · Crystal structure of YTHDF2 with compound ZA_166 · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9Y5A9 · AlphaFold monomer V2.0 prediction for yth domain-containing family protein 2 (Q9Y5A9) · a predicted model of the same protein · chain B against A, TM-score 0.96

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