MolNFT v1 · #16344 · protein
Structure of the catalytic domain of human DOT1L, a non-set domain nucleosomal histone methyltransferase
1NW3 · Histone methyltransferase DOT1L: “Structure of the catalytic domain of human DOT1L, a non-set domain nucleosomal histone methyltransferase”. X-ray diffraction, 2 ligands (SAM, SO4), 4 pockets (best druggability 0.68). MolNFT v1…
- PDB
- 1NW3
- Type
- protein
- Length
- 328 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Histone methyltransferase DOT1L
- UniProt
- Q8TEK3
- Ligands
- SAM, SO4
- Pockets
- 4 · best druggability 0.68
Structure
x-ray diffraction · 1 distinct chain · 43% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Histone methyltransferase DOT1L | protein | 328 | 43% helix, 15% strand | Q8TEK3 |
Ligands and binding sites
- SAM · S-adenosylmethionine · ligand · chains A
- SO4 · Sulfate ion · ion · 2 copies · chains A
- ACT · Acetate ion · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 334 | 0.68 | 0.82 | 51 | SAM |
| 2 | 160 | 0.47 | 0.77 | 25 | empty |
| 3 | 55 | 0.38 | 0.80 | 12 | empty |
| 4 | 88 | 0.38 | 0.76 | 13 | empty |
Compared structures
- 1NW3 · Structure of the Catalytic domain of human DOT1L, a non-SET domain nucleosomal histone… · the same entry in another collection · chain A against A, TM-score 1.00
- Q8TEK3 · AlphaFold monomer V2.0 prediction for histone-lysine N-methyltransferase, H3 lysine-79… · a predicted model of the same protein · chain A against A, TM-score 0.98
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 Q8TEK3
- Elsewhere: RCSB PDB 1NW3 · PDBe 1NW3 · UniProt Q8TEK3
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