MolNFT v1 · #151884 · protein
Crystal structure of fascin in complex with compound 1
6I0Z: “Crystal structure of fascin in complex with compound 1”. X-ray diffraction, 1 ligand (GZQ), 11 pockets (best druggability 0.78). MolNFT v1 #151884 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6I0Z
- Type
- protein
- Length
- 967 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Fascin
- UniProt
- Q16658
- Ligands
- GZQ
- Pockets
- 11 · best druggability 0.78
Structure
x-ray diffraction · 2 distinct chains · 7% helix, 46% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Fascin | protein | 484 | 7% helix, 46% strand | Q16658 |
| B | Fascin | protein | 483 | 6% helix, 46% strand | Q16658 |
Ligands and binding sites
- GZQ · ~{N}-(2,4-dichlorophenyl)-~{N}-methyl-ethanamide · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
11 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 107 | 0.78 | 0.96 | 18 | GZQ |
| 2 | 102 | 0.78 | 0.96 | 18 | GZQ |
| 3 | 963 | 0.74 | 0.77 | 77 | empty |
| 4 | 570 | 0.69 | 0.78 | 88 | empty |
| 5 | 478 | 0.65 | 0.77 | 60 | empty |
Interfaces
1 interface between chains.
- A–B · 458 Ų buried · 3 hydrogen bonds · protein-protein
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 6I0Z · PDBe 6I0Z · UniProt Q16658
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