Research workbench
Polycomb protein eed in complex with inhibitor: (3R,4S)-1-[(2-bromo-6- FLUOROPHENYL)METHYL]-N,N-dimethyl-4-(1-methyl-1H-indol-3-yl) pyrrolidin-3-amine
Analyse Polycomb protein eed in complex with inhibitor: (3R,4S)-1-[(2-bromo-6… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5U8A
- Type
- protein
- Length
- 358 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Polycomb protein eed
- UniProt
- O75530
- Ligands
- 82D
- Pockets
- 3 · best druggability 0.76
Structure
x-ray diffraction · 1 distinct chain · 6% helix, 47% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Polycomb protein eed | protein | 358 | 6% helix, 47% strand | O75530 |
Ligands and binding sites
- 82D · (3R,4S)-1-[(2-bromo-6-fluorophenyl)methyl]-N,N-dimethyl-4-(1-methyl-1H-indol-3-yl)pyrrolidin-3-amine · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 409 | 0.76 | 0.86 | 44 | empty |
| 2 | 105 | 0.56 | 0.84 | 14 | 82D |
| 3 | 94 | 0.37 | 0.75 | 17 | empty |
Compared structures
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
- Elsewhere: RCSB PDB 5U8A · PDBe 5U8A · UniProt O75530
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