MolNFT v1 · #166511 · protein
MTH1 in complex with compound 32
6US4 · 7,8-dihydro-8-oxoguanine triphosphatase: “MTH1 in complex with compound 32”. X-ray diffraction, 1 ligand (GN6), 2 pockets (best druggability 0.73). MolNFT v1 #166511 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6US4
- Type
- protein
- Length
- 154 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, 3.6.1.56
- UniProt
- P36639
- Ligands
- GN6
- Pockets
- 2 · best druggability 0.73
Structure
x-ray diffraction · 1 distinct chain · 16% helix, 47% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 7,8-dihydro-8-oxoguanine triphosphatase (EC 3.6.1.55, 3.6.1.56) | protein | 154 | 16% helix, 47% strand | P36639 |
Ligands and binding sites
- GN6 · 5-(2,3-dichlorophenyl)[1,2,4]triazolo[1,5-a]pyridin-2-amine · 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 | 175 | 0.73 | 0.90 | 28 | GN6 |
| 2 | 51 | 0.28 | 0.75 | 13 | 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 P36639
- Elsewhere: RCSB PDB 6US4 · PDBe 6US4 · UniProt P36639
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