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MolNFT v1 · #109481 · protein

Crystal structure of protein arginine methyltransferase PRMT8

4X41 · Protein arginine N-methyltransferase 8: “Crystal structure of protein arginine methyltransferase PRMT8”. X-ray diffraction, 1 ligand (SAH), 7 pockets (best druggability 0.60). MolNFT v1 #109481 on GenesisL1: 3D structure, binding…

PDB
4X41
Type
protein
Length
614 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Protein arginine N-methyltransferase 8
EC
2.1.1.125
UniProt
Q9NR22
Ligands
SAH
Pockets
7 · best druggability 0.60

Structure

x-ray diffraction · 2 distinct chains · 19% helix, 37% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AProtein arginine N-methyltransferase 8 (EC 2.1.1.125)protein31121% helix, 36% strandQ9NR22
BProtein arginine N-methyltransferase 8 (EC 2.1.1.125)protein30318% helix, 38% strandQ9NR22

Ligands and binding sites

  • SAH · S-adenosyl-L-homocysteine · ligand · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13260.600.7846empty
22630.590.7931SAH
31220.470.7920empty
4760.440.8019empty
5770.410.7913empty

Interfaces

1 interface between chains.

  • A–B · 1068 Ų buried · 22 hydrogen bonds · protein-protein

Compared structures

  • 4X41 · Crystal Structure of Protein Arginine Methyltransferase PRMT8 · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9NR22 · AlphaFold monomer V2.0 prediction for protein arginine N-methyltransferase 8 (Q9NR22) · a predicted model of the same protein · chain A against A, TM-score 0.97

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