MolNFT v1 · #104966 · protein

Protein arginine methyltransferase 3 in complex with compound MTV044246

4QQN · PRMT3 protein: “Protein arginine methyltransferase 3 in complex with compound MTV044246”. X-ray diffraction, 3 ligands (3BQ, UNX, CL), 3 pockets (best druggability 0.64). MolNFT v1 #104966 on GenesisL1: 3D structure, binding sites…

PDB: 4QQN
Type: protein
Length: 299 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: PRMT3 protein
UniProt: Q8WUV3
Ligands: 3BQ, UNX, CL
Pockets: 3 · best druggability 0.64

Structure

x-ray diffraction · 1 distinct chain · 26% helix, 40% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	PRMT3 protein	protein	299	26% helix, 40% strand	Q8WUV3

Ligands and binding sites

3BQ · 1-{2-[1-(aminomethyl)cyclohexyl]ethyl}-3-isoquinolin-6-ylurea · ligand · chains A
UNX · Unknown atom or ion · ion · 12 copies · chains A
CL · Chloride ion · ion · chains A
GOL · Glycerol · additive · chains A

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	269	0.64	0.82	37	UNX
2	81	0.56	0.86	16	3BQ
3	53	0.46	0.85	14	UNX

Compared structures

4QQN · Protein arginine methyltransferase 3 in complex with compound MTV044246 · the same entry in another collection · chain A against A, TM-score 1.00

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Every structure of UniProt Q8WUV3
Elsewhere: RCSB PDB 4QQN · PDBe 4QQN · UniProt Q8WUV3

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