Research workbench
Structure of vset in complex with MEK27 H3 pept. and cofactor product sah
Analyse Structure of vset in complex with MEK27 H3 pept. and cofactor product sah in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2G46
- Type
- protein
- Length
- 280 residues
- Chains
- 4
- Method
- solution nmr
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Pbcv-1 histone H3-lys 27 methyltransferase; MEK27 H3 peptide
- Ligands
- SAH
- Pockets
- 3 · best druggability 0.78
Structure
solution nmr · 2 distinct chains · 4% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Pbcv-1 histone H3-lys 27 methyltransferase | protein | 119 | 4% helix, 29% strand | — |
| C, D | MEK27 H3 peptide | protein | 21 | 0% helix, 0% strand | — |
Ligands and binding sites
- SAH · S-adenosyl-L-homocysteine · ligand · 2 copies · chains A, C, B, D
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 | 595 | 0.78 | 0.84 | 81 | empty |
| 2 | 60 | 0.30 | 0.75 | 17 | empty |
| 3 | 55 | 0.30 | 0.76 | 17 | empty |
Interfaces
3 interfaces between chains.
- A–B · 830 Ų buried · 3 hydrogen bonds · protein-protein
- B–D · 723 Ų buried · 11 hydrogen bonds · protein-protein
- A–C · 722 Ų buried · 11 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 modified (methylation).
Compared structures
- 2G46 · structure of vSET in complex with meK27 H3 Pept. and cofactor product SAH · the same entry in another collection · chain B against B, 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
- Elsewhere: RCSB PDB 2G46 · PDBe 2G46
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.