Research workbench
Structure of 53BP1 tandem tudor domains in complex with small molecule UNC3351
Analyse Structure of 53BP1 tandem tudor domains in complex with small molecule UNC3351 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6MXY
- Type
- protein
- Length
- 245 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- TP53-binding protein 1
- UniProt
- Q12888
- Ligands
- K6M, PO4
- Pockets
- 2 · best druggability 0.78
Structure
x-ray diffraction · 2 distinct chains · 13% helix, 50% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | TP53-binding protein 1 | protein | 123 | 14% helix, 50% strand | Q12888 |
| B | TP53-binding protein 1 | protein | 122 | 12% helix, 51% strand | Q12888 |
Ligands and binding sites
- K6M · N-[3-(tert-butylamino)propyl]-3-(trifluoromethyl) benzamide · ligand · chains A, B
- PO4 · Phosphate ion · ion · 5 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 117 | 0.78 | 0.96 | 20 | K6M |
| 2 | 178 | 0.57 | 0.81 | 29 | PO4 |
Interfaces
1 interface between chains.
- A–B · 1084 Ų buried · 18 hydrogen bonds · protein-protein
Compared structures
- 6MXY · Structure of 53BP1 tandem Tudor domains in complex with small molecule UNC3351 · the same entry in another collection · chain A against A, TM-score 1.00
- Q12888 · AlphaFold monomer V2.0 prediction for TP53-binding protein 1 (Q12888) · a predicted model of the same protein · chain B against A, TM-score 0.93
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 Q12888
- Elsewhere: RCSB PDB 6MXY · PDBe 6MXY · UniProt Q12888
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.