MolNFT v1 · #168256 · protein
Crystal structure of human protein arginine N-methyltransferase 6 (PRMT6) in complex with MT2739 inhibitor
6WAD: “Crystal structure of human protein arginine N-methyltransferase 6 (PRMT6) in complex with MT2739 inhibitor”. X-ray diffraction, 2 ligands (SAH, TQ7), 2 pockets (best druggability 0.80). MolNFT v1 #168256 on GenesisL1: 3D structure…
- PDB
- 6WAD
- Type
- protein
- Length
- 321 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protein arginine N-methyltransferase 6
- EC
- 2.1.1.319
- UniProt
- Q96LA8
- Ligands
- SAH, TQ7
- Pockets
- 2 · best druggability 0.80
Structure
x-ray diffraction · 1 distinct chain · 31% helix, 36% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Protein arginine N-methyltransferase 6 (EC 2.1.1.319) | protein | 321 | 31% helix, 36% strand | Q96LA8 |
Ligands and binding sites
- SAH · S-adenosyl-L-homocysteine · ligand · chains A
- TQ7 · 5-bromo-N-(diphenylmethyl)-N-methylthiophene-2-carboxamide · ligand · 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.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 226 | 0.80 | 0.92 | 33 | TQ7 |
| 2 | 309 | 0.59 | 0.77 | 37 | SAH |
Compared structures
- 6WAD · Crystal Structure of Human Protein arginine N-methyltransferase 6 (PRMT6) in complex with… · the same entry in another collection · chain A against A, TM-score 1.00
- Q96LA8 · AlphaFold monomer V2.0 prediction for protein arginine N-methyltransferase 6 (Q96LA8) · a predicted model of the same protein · chain A against A, TM-score 0.97
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 Q96LA8
- Elsewhere: RCSB PDB 6WAD · PDBe 6WAD · UniProt Q96LA8
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