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MolNFT v1 · #172418 · protein

Crystal structure of YTHDF2 in complex with M1A

7A1V · Yth domain-containing family protein 2: “Crystal structure of YTHDF2 in complex with M1A”. X-ray diffraction, 2 ligands (M1A, SO4), 4 pockets (best druggability 0.53). MolNFT v1 #172418 on GenesisL1: 3D structure, binding sites and…

PDB
7A1V
Type
protein
Length
298 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
M1A, SO4
Pockets
4 · best druggability 0.53

Structure

x-ray diffraction · 2 distinct chains · 30% helix, 29% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AYth domain-containing family protein 2protein14929% helix, 30% strandQ9Y5A9
BYth domain-containing family protein 2protein14931% helix, 28% strandQ9Y5A9

Ligands and binding sites

  • M1A · 6-amino-1-methylpurine · ligand · chains A
  • SO4 · Sulfate ion · ion · 7 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

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11190.530.8225M1A
2550.470.8514empty
3640.380.7918empty
4760.300.7420empty

Interfaces

1 interface between chains.

  • A–B · 459 Ų buried · 8 hydrogen bonds · protein-protein

Compared structures

  • 7A1V · Crystal structure of YTHDF2 in complex with m1A · 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 A against A, TM-score 0.96

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