Research workbench
The novel SUV4-20 inhibitor a-196 verifies a role for epigenetics in genomic integrity
Analyse The novel SUV4-20 inhibitor a-196 verifies a role for epigenetics in genomic… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5CPR
- Type
- protein
- Length
- 232 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Histone-lysine N-methyltransferase SUV420H1
- EC
- 2.1.1.43
- UniProt
- Q4FZB7
- Ligands
- SAM, 539, ZN
- Pockets
- 3 · best druggability 0.68
Structure
x-ray diffraction · 1 distinct chain · 38% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B | Histone-lysine N-methyltransferase SUV420H1 (EC 2.1.1.43) | protein | 232 | 38% helix, 22% strand | Q4FZB7 |
Ligands and binding sites
- SAM · S-adenosylmethionine · ligand · chains B
- 539 · 6,7-dichloro-N-cyclopentyl-4-(pyridin-4-yl)phthalazin-1-amine · ligand · chains B
- ZN · Zinc ion · metal · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 384 | 0.68 | 0.81 | 39 | SAM, 539 |
| 2 | 77 | 0.33 | 0.74 | 18 | empty |
| 3 | 72 | 0.30 | 0.73 | 16 | empty |
Compared structures
- 5CPR · The novel SUV4-20 inhibitor A-196 verifies a role for epigenetics in genomic integrity · the same entry in another collection · chain B against B, TM-score 1.00
- Q4FZB7 · AlphaFold monomer V2.0 prediction for histone-lysine N-methyltransferase KMT5B (Q4FZB7) · a predicted model of the same protein · chain B 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 Q4FZB7
- Elsewhere: RCSB PDB 5CPR · PDBe 5CPR · UniProt Q4FZB7
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