MolNFT v1 · #61940 · protein
The X-ray structure of human prostasin in complex with dffr- chloromethyl ketone inhibitor
3E0N: “The X-ray structure of human prostasin in complex with dffr- chloromethyl ketone inhibitor”. X-ray diffraction, 1 ligand (SO4), 1 pocket (best druggability 0.44). MolNFT v1 #61940 on GenesisL1: 3D structure, binding sites and…
- PDB
- 3E0N
- Type
- protein
- Length
- 254 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Prostasin
- EC
- 3.4.21.-
- UniProt
- Q16651
- Ligands
- SO4
- Pockets
- 1 · best druggability 0.44
Structure
x-ray diffraction · 1 distinct chain · 11% helix, 35% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B | Prostasin (EC 3.4.21.-) | protein | 254 | 11% helix, 35% strand | Q16651 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 97 | 0.44 | 0.79 | 19 | empty |
Modifications
Observed in the structure: 4 disulfide, 1 d-amino, 1 modified (disulfide, D-amino acid, nonstandard).
Compared structures
- 3E0N · The X-ray structure of Human Prostasin in complex with DFFR-chloromethyl ketone inhibitor · the same entry in another collection · chain B against B, TM-score 0.99
- Q16651 · AlphaFold monomer V2.0 prediction for prostasin (Q16651) · a predicted model of the same protein · chain B against A, TM-score 0.95
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 3E0N · PDBe 3E0N · UniProt Q16651
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