MolNFT v1 · #37522 · protein
Structure of vset in complex with MEK27 H3 pept. and cofactor product sah
2G46 · Pbcv-1 histone H3-lys 27 methyltransferase: “Structure of vset in complex with MEK27 H3 pept. and cofactor product sah”. Solution nmr, 1 ligand (SAH), 3 pockets (best druggability 0.78). MolNFT v1 #37522 on GenesisL1: 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
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