MolNFT v1 · #78888 · protein
Crystal structure of protein arginine methyltransferase 3
3SMQ · Protein arginine N-methyltransferase 3: “Crystal structure of protein arginine methyltransferase 3”. X-ray diffraction, 3 ligands (TDU, UNX, CL), 3 pockets (best druggability 0.60). MolNFT v1 #78888 on GenesisL1: 3D structure…
- PDB
- 3SMQ
- Type
- protein
- Length
- 299 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protein arginine N-methyltransferase 3
- EC
- 2.1.1.-
- UniProt
- O60678
- Ligands
- TDU, UNX, CL
- Pockets
- 3 · best druggability 0.60
Structure
x-ray diffraction · 1 distinct chain · 26% helix, 39% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Protein arginine N-methyltransferase 3 (EC 2.1.1.-) | protein | 299 | 26% helix, 39% strand | O60678 |
Ligands and binding sites
- TDU · 1-(1,2,3-benzothiadiazol-6-yl)-3-[2-(cyclohex-1-en-1-yl)ethyl]urea · ligand · chains A
- UNX · Unknown atom or ion · ion · 10 copies · chains A
- CL · Chloride ion · ion · 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.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 231 | 0.60 | 0.80 | 37 | UNX |
| 2 | 60 | 0.57 | 0.89 | 12 | TDU |
| 3 | 54 | 0.29 | 0.75 | 10 | empty |
Compared structures
- 3SMQ · Crystal structure of protein arginine methyltransferase 3 · the same entry in another collection · chain A against A, TM-score 1.00
- O60678 · AlphaFold monomer V2.0 prediction for protein arginine N-methyltransferase 3 (O60678) · a predicted model of the same protein · 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 O60678
- Elsewhere: RCSB PDB 3SMQ · PDBe 3SMQ · UniProt O60678
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