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X-ray structure of furin in complex with the guanylhydrazone-based inhibitor 2 (mi307) soaked at 0.25 M NaCl
Analyse X-ray structure of furin in complex with the guanylhydrazone-based inhibitor 2… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7O1Y
- Type
- protein
- Length
- 466 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 1.7
- Source
- Homo sapiens
- Molecule
- Furin
- EC
- 3.4.21.75
- UniProt
- P09958
- Ligands
- UYQ, NAG, CA, NA, CL
- Pockets
- 4 · best druggability 0.53
Structure
x-ray diffraction · resolution 1.7 · 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
- UYQ · [[(2E)-2-[[4-[(E)-[[azaniumylidene(azanyl) methyl]hydrazinylidene]methyl]phenyl]methylidene]hydra zinyl]-azanyl-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 · 8 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 160 | 0.53 | 0.80 | 18 | empty |
| 2 | 98 | 0.35 | 0.74 | 19 | UYQ, DMS |
| 3 | 52 | 0.32 | 0.78 | 13 | empty |
| 4 | 63 | 0.28 | 0.74 | 21 | empty |
Modifications
Observed in the structure: 3 disulfide, 1 glycan (disulfide, N-glycosylation).
Compared structures
- 7O1Y · X-ray structure of furin in complex with the guanylhydrazone-based inhibitor 2 (MI307)… · 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 7O1Y · PDBe 7O1Y · UniProt P09958
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