Research workbench
Crystal structure of eed [G255D] in complex with EZH2 peptide and EED226 compound
Analyse Crystal structure of eed [G255D] in complex with EZH2 peptide and EED226… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5WUK
- Type
- protein
- Length
- 394 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
- 2.1.1.43
- UniProt
- O75530, Q15910
- Ligands
- 73K
- Pockets
- 4 · best druggability 0.86
Structure
x-ray diffraction · 2 distinct chains · 10% helix, 42% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Polycomb protein eed | protein | 366 | 6% helix, 45% strand | O75530 |
| B | Histone-lysine N-methyltransferase EZH2 (EC 2.1.1.43) | protein | 28 | 71% helix, 0% strand | Q15910 |
Ligands and binding sites
- 73K · N-(furan-2-ylmethyl)-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine · ligand · chains A
- GOL · Glycerol · 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, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 397 | 0.86 | 0.95 | 46 | empty |
| 2 | 89 | 0.58 | 0.86 | 19 | empty |
| 3 | 51 | 0.52 | 0.88 | 10 | 73K |
| 4 | 62 | 0.34 | 0.77 | 20 | empty |
Interfaces
1 interface between chains.
- A–B · 1491 Ų buried · 16 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 5WUK · Crystal structure of EED [G255D] in complex with EZH2 peptide and EED226 compound · 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 0.99
- 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 0.88
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 5WUK · PDBe 5WUK · UniProt O75530 · UniProt Q15910
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