Research workbench
Co-crystal structure of human PRMT9 in complex with MT221 inhibitor
Analyse Co-crystal structure of human PRMT9 in complex with MT221 inhibitor in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7T39
- Type
- protein
- Length
- 613 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protein arginine N-methyltransferase 9
- EC
- 2.1.1.320
- UniProt
- Q6P2P2
- Ligands
- EJB
- Pockets
- 6 · best druggability 0.73
Structure
x-ray diffraction · 1 distinct chain · 24% helix, 34% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Protein arginine N-methyltransferase 9 (EC 2.1.1.320) | protein | 613 | 24% helix, 34% strand | Q6P2P2 |
Ligands and binding sites
- EJB · 7-[5-S-(4-{[(2-ethylpyridin-3-yl)methyl]amino}butyl)-5-thio-beta-D-ribofuranosyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 369 | 0.73 | 0.84 | 45 | EJB |
| 2 | 460 | 0.69 | 0.80 | 48 | empty |
| 3 | 110 | 0.61 | 0.87 | 23 | empty |
| 4 | 85 | 0.42 | 0.79 | 16 | empty |
| 5 | 129 | 0.41 | 0.75 | 20 | empty |
Compared structures
- 7T39 · Co-crystal structure of human PRMT9 in complex with MT221 inhibitor · the same entry in another collection · chain A against A, TM-score 1.00
- Q6P2P2 · AlphaFold monomer V2.0 prediction for protein arginine N-methyltransferase 9 (Q6P2P2) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 Q6P2P2
- Elsewhere: RCSB PDB 7T39 · PDBe 7T39 · UniProt Q6P2P2
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