MolNFT v1 · #184813 · protein
Eed in complex with compound 4
7P3G · Polycomb protein eed: “Eed in complex with compound 4”. X-ray diffraction, 2 ligands (L9W, 52R), 7 pockets (best druggability 0.77). MolNFT v1 #184813 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7P3G
- Type
- protein
- Length
- 694 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Polycomb protein eed
- UniProt
- O75530
- Ligands
- L9W, 52R
- Pockets
- 7 · best druggability 0.77
Structure
x-ray diffraction · 2 distinct chains · 5% helix, 48% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Polycomb protein eed | protein | 350 | 5% helix, 47% strand | O75530 |
| B | Polycomb protein eed | protein | 344 | 5% helix, 48% strand | O75530 |
Ligands and binding sites
- L9W · N-(2,3-dihydro-1-benzofuran-4-ylmethyl)-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine · ligand · chains A
- 52R · N5-[(5-fluoranyl-2,3-dihydro-1-benzofuran-4-yl)methyl]-N8-methyl-N8-(1-methylpyrazol-3-yl)-[1,2,4]triazolo[4, 3-c]pyrimidine-5,8-diamine · ligand · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 475 | 0.77 | 0.85 | 38 | empty |
| 2 | 488 | 0.76 | 0.84 | 41 | empty |
| 3 | 72 | 0.56 | 0.87 | 10 | L9W |
| 4 | 80 | 0.56 | 0.86 | 10 | 52R |
| 5 | 109 | 0.39 | 0.75 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 216 Ų buried · 0 hydrogen bonds · protein-protein
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 7P3G · PDBe 7P3G · UniProt O75530
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