MolNFT v1 · #151885 · protein
Crystal structure of fascin in complex with compound 2
6I10: “Crystal structure of fascin in complex with compound 2”. X-ray diffraction, 1 ligand (GZK), 6 pockets (best druggability 0.65). MolNFT v1 #151885 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6I10
- Type
- protein
- Length
- 483 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Fascin
- UniProt
- Q16658
- Ligands
- GZK
- Pockets
- 6 · best druggability 0.65
Structure
x-ray diffraction · 1 distinct chain · 6% helix, 48% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Fascin | protein | 483 | 6% helix, 48% strand | Q16658 |
Ligands and binding sites
- GZK · 1-[(3~{R})-1,1-bis(oxidanylidene)thiolan-3-yl]-5-[(3,4-dichlorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-one · ligand · chains A
- EDO · 1,2-ethanediol · additive · 3 copies · chains A
- ACT · Acetate ion · 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 | 265 | 0.65 | 0.82 | 43 | GZK, ACT |
| 2 | 61 | 0.55 | 0.88 | 18 | EDO |
| 3 | 194 | 0.53 | 0.78 | 34 | empty |
| 4 | 92 | 0.36 | 0.75 | 18 | empty |
| 5 | 77 | 0.36 | 0.76 | 14 | 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 Q16658
- Elsewhere: RCSB PDB 6I10 · PDBe 6I10 · UniProt Q16658
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.