MolNFT v1 · #113719 · protein
Potent and selective inhibitors of MTH1 probe its role in cancer cell survival
5ANS · 7,8-dihydro-8-oxoguanine triphosphatase: “Potent and selective inhibitors of MTH1 probe its role in cancer cell survival”. X-ray diffraction, 1 ligand (RX8), 2 pockets (best druggability 0.64). MolNFT v1 #113719 on GenesisL1: 3D…
- PDB
- 5ANS
- Type
- protein
- Length
- 155 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 7,8-dihydro-8-oxoguanine triphosphatase
- EC
- 3.6.1.55
- UniProt
- P36639
- Ligands
- RX8
- Pockets
- 2 · best druggability 0.64
Structure
x-ray diffraction · 1 distinct chain · 16% helix, 45% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 7,8-dihydro-8-oxoguanine triphosphatase (EC 3.6.1.55) | protein | 155 | 16% helix, 45% strand | P36639 |
Ligands and binding sites
- RX8 · 1-[4-amino-2-(ethoxymethyl)-1H-imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 294 | 0.64 | 0.80 | 27 | RX8 |
| 2 | 64 | 0.32 | 0.75 | 14 | empty |
Compared structures
- 5ANS · Potent and selective inhibitors of MTH1 probe its role in cancer cell survival · the same entry in another collection · chain A against A, TM-score 1.00
- P36639 · AlphaFold monomer V2.0 prediction for 7,8-dihydro-8-oxoguanine triphosphatase (P36639) · a predicted model of the same protein · chain A against A, TM-score 0.97
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 P36639
- Elsewhere: RCSB PDB 5ANS · PDBe 5ANS · UniProt P36639
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