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MolNFT v1 · #106420 · protein

Human protein arginine methyltransferase 3 in complex with 1- isoquinolin-6-yl-3-[2-oxo-2-(pyrrolidin-1-YL)ETHYL]UREA

4RYL · PRMT3 protein: “Human protein arginine methyltransferase 3 in complex with 1…”. X-ray diffraction, 2 ligands (3ZG, UNX), 2 pockets (best druggability 0.56). MolNFT v1 #106420 on GenesisL1: 3D structure, binding sites and pockets in…

PDB
4RYL
Type
protein
Length
300 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
PRMT3 protein
UniProt
Q8WUV3
Ligands
3ZG, UNX
Pockets
2 · best druggability 0.56

Structure

x-ray diffraction · 1 distinct chain · 26% helix, 39% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APRMT3 proteinprotein30026% helix, 39% strandQ8WUV3

Ligands and binding sites

  • 3ZG · 1-isoquinolin-6-yl-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]urea · ligand · chains A
  • UNX · Unknown atom or ion · ion · 2 copies · chains 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, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12400.560.7836empty
2730.560.87133ZG

Compared structures

  • 4RYL · Human Protein Arginine Methyltransferase 3 in complex with… · the same entry in another collection · chain A against A, TM-score 1.00

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