MolNFT v1 · #113748 · protein
Structure of the P53 cancer mutant Y220C with bound small molecule PHIKAN883
5AOM · Cellular tumor antigen P53: “Structure of the P53 cancer mutant Y220C with bound small molecule PHIKAN883”. X-ray diffraction, 2 ligands (FY8, ZN), 6 pockets (best druggability 0.62). MolNFT v1 #113748 on GenesisL1: 3D structure…
- PDB
- 5AOM
- Type
- protein
- Length
- 390 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cellular tumor antigen P53
- UniProt
- P04637
- Ligands
- FY8, ZN
- Pockets
- 6 · best druggability 0.62
Structure
x-ray diffraction · 2 distinct chains · 7% helix, 33% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cellular tumor antigen P53 | protein | 195 | 8% helix, 33% strand | P04637 |
| B | Cellular tumor antigen P53 | protein | 195 | 7% helix, 33% strand | P04637 |
Ligands and binding sites
- FY8 · N-(5-chloranyl-2-oxidanyl-phenyl)piperidine-4-carboxamide · ligand · 4 copies · chains A, B
- ZN · Zinc ion · metal · 2 copies · chains A, B
- GOL · Glycerol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 303 | 0.62 | 0.79 | 35 | GOL |
| 2 | 155 | 0.57 | 0.82 | 32 | FY8 |
| 3 | 81 | 0.52 | 0.85 | 20 | FY8 |
| 4 | 153 | 0.45 | 0.76 | 24 | empty |
| 5 | 153 | 0.43 | 0.75 | 20 | empty |
Interfaces
1 interface between chains.
- A–B · 294 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
- 5AOM · Structure of the p53 cancer mutant Y220C with bound small molecule PhiKan883 · the same entry in another collection · chain A against A, TM-score 1.00
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 P04637
- Elsewhere: RCSB PDB 5AOM · PDBe 5AOM · UniProt P04637
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.