Research workbench
X-ray structure of furin in complex with the guanylhydrazone-based inhibitor 3 (mi300)
Analyse X-ray structure of furin in complex with the guanylhydrazone-based inhibitor 3… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7O20
- Type
- protein
- Length
- 466 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 1.8
- Source
- Homo sapiens
- Molecule
- Furin
- EC
- 3.4.21.75
- UniProt
- P09958
- Ligands
- UYT, NAG, CA, NA, CL
- Pockets
- 3 · best druggability 0.47
Structure
x-ray diffraction · resolution 1.8 · 1 distinct chain · 21% helix, 28% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Furin (EC 3.4.21.75) | protein | 466 | 21% helix, 28% strand | P09958 |
Ligands and binding sites
- UYT · [azanyl-[(2E)-2-(1-phenylethylidene) hydrazinyl]methylidene]azanium · ligand · 3 copies · chains A
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · chains A
- CA · Calcium ion · metal · 3 copies · chains A
- NA · Sodium ion · metal · 2 copies · chains A
- CL · Chloride ion · ion · chains A
- DMS · Dimethyl sulfoxide · additive · 6 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 135 | 0.47 | 0.78 | 16 | empty |
| 2 | 94 | 0.32 | 0.73 | 18 | UYT |
| 3 | 55 | 0.31 | 0.76 | 13 | empty |
Modifications
Observed in the structure: 3 disulfide, 1 glycan (disulfide, N-glycosylation).
Compared structures
- 7O20 · X-ray structure of furin in complex with the guanylhydrazone-based inhibitor 3 (MI300) · the same entry in another collection · chain A against A, TM-score 1.00
- P09958 · AlphaFold monomer V2.0 prediction for furin (P09958) · a predicted model of the same protein · 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 P09958
- Elsewhere: RCSB PDB 7O20 · PDBe 7O20 · UniProt P09958
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.