MolNFT v1 · #143491 · protein
Crystal structure of PPK3 class III in complex with inhibitor
6B18: “Crystal structure of PPK3 class III in complex with inhibitor”. X-ray diffraction, 2 ligands (C8A, PO4), 2 pockets (best druggability 0.66). MolNFT v1 #143491 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6B18
- Type
- protein
- Length
- 299 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- PPK3 class III
- UniProt
- Q11YW6
- Ligands
- C8A, PO4
- Pockets
- 2 · best druggability 0.66
Structure
x-ray diffraction · 1 distinct chain · 53% helix, 11% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | PPK3 class III | protein | 299 | 53% helix, 11% strand | Q11YW6 |
Ligands and binding sites
- C8A · {[(4-benzylphenyl)amino]methylene}bis(phosphonic acid) · ligand · chains A
- PO4 · Phosphate ion · ion · chains A
- GOL · Glycerol · additive · 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 | 463 | 0.66 | 0.78 | 55 | C8A, PO4, GOL |
| 2 | 54 | 0.44 | 0.83 | 15 | empty |
Compared structures
- 6B18 · Crystal structure of PPK3 Class III in complex with inhibitor · 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 Q11YW6
- Elsewhere: RCSB PDB 6B18 · PDBe 6B18 · UniProt Q11YW6
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.