MolNFT v1 · #185882 · protein
Eed in complex with PRC2 allosteric inhibitor compound 22 (MAK683)
7QK4 · Polycomb protein eed: “Eed in complex with PRC2 allosteric inhibitor compound 22 (MAK683)”. X-ray diffraction, 2 ligands (EJR, CL), 4 pockets (best druggability 0.87). MolNFT v1 #185882 on GenesisL1: 3D structure, binding sites and…
- PDB
- 7QK4
- Type
- protein
- Length
- 379 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Polycomb protein eed; Histone-lysine N-methyltransferase EZH2
- EC
- 2.1.1.356
- UniProt
- O75530, Q15910
- Ligands
- EJR, CL
- Pockets
- 4 · best druggability 0.87
Structure
x-ray diffraction · 2 distinct chains · 9% helix, 44% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Polycomb protein eed | protein | 350 | 3% helix, 47% strand | O75530 |
| B | Histone-lysine N-methyltransferase EZH2 (EC 2.1.1.356) | protein | 29 | 76% helix, 0% strand | Q15910 |
Ligands and binding sites
- EJR · N-[(5-fluoranyl-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methylpyridin-3-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine · ligand · chains A
- CL · Chloride ion · ion · 3 copies · 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, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 433 | 0.87 | 0.94 | 44 | CL |
| 2 | 65 | 0.58 | 0.89 | 10 | EJR |
| 3 | 109 | 0.49 | 0.80 | 16 | empty |
| 4 | 56 | 0.35 | 0.78 | 19 | empty |
Interfaces
1 interface between chains.
- A–B · 1505 Ų buried · 13 hydrogen bonds · protein-protein
Compared structures
- 7QK4 · EED in complex with PRC2 allosteric inhibitor compound 22 (MAK683) · the same entry in another collection · chain A against A, TM-score 1.00
- O75530 · AlphaFold monomer V2.0 prediction for polycomb protein eed (O75530) · a predicted model of the same protein · chain A against A, TM-score 1.00
- Q15910 · AlphaFold monomer V2.0 prediction for histone-lysine N-methyltransferase EZH2 (Q15910) · a predicted model of the same protein · chain B against A, TM-score 0.87
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 O75530
- Every structure of UniProt Q15910
- Elsewhere: RCSB PDB 7QK4 · PDBe 7QK4 · UniProt O75530 · UniProt Q15910
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