Research workbench
The crystal structure of prostasin complexed with camostat at 1.6 ångströms resolution
Analyse The crystal structure of prostasin complexed with camostat at 1.6 ångströms… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3FVF
- Type
- protein
- Length
- 248 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Prostasin
- EC
- 3.4.21.-
- UniProt
- Q16651
- Ligands
- 1JZ
- Pockets
- 4 · best druggability 0.47
Structure
x-ray diffraction · 1 distinct chain · 12% helix, 35% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B | Prostasin (EC 3.4.21.-) | protein | 248 | 12% helix, 35% strand | Q16651 |
Ligands and binding sites
- 1JZ · 1-[4-(hydroxymethyl)phenyl]guanidine · ligand · chains B
- DMS · Dimethyl sulfoxide · additive · 2 copies · chains B
- GOL · Glycerol · additive
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 125 | 0.47 | 0.79 | 28 | 1JZ, DMS |
| 2 | 117 | 0.40 | 0.75 | 22 | empty |
| 3 | 55 | 0.32 | 0.76 | 16 | empty |
| 4 | 60 | 0.30 | 0.75 | 15 | empty |
Modifications
Observed in the structure: 4 disulfide, 1 covalent (disulfide, covalent ligand).
Compared structures
- 3FVF · The Crystal Structure of Prostasin Complexed with Camostat at 1.6 Angstroms Resolution · the same entry in another collection · chain B against B, TM-score 1.00
- Q16651 · AlphaFold monomer V2.0 prediction for prostasin (Q16651) · a predicted model of the same protein · chain B against A, TM-score 0.96
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 Q16651
- Elsewhere: RCSB PDB 3FVF · PDBe 3FVF · UniProt Q16651
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