MolNFT v1 · #149958 · protein
Structure of human mesotrypsin in complex with appi variant T11V/M17R/I18F/F34V
6GFI · PRSS3 protein: “Structure of human mesotrypsin in complex with appi variant T11V/M17R/I18F/F34V”. X-ray diffraction, 4 pockets (best druggability 0.40). MolNFT v1 #149958 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6GFI
- Type
- protein
- Length
- 560 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- PRSS3 protein; Amyloid-beta A4 protein
- UniProt
- Q8N2U3, P05067
- Pockets
- 4 · best druggability 0.40
Structure
x-ray diffraction · 2 distinct chains · 10% helix, 35% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | PRSS3 protein | protein | 224 | 9% helix, 37% strand | Q8N2U3 |
| E, C | Amyloid-beta A4 protein | protein | 56 | 14% helix, 29% strand | P05067 |
Ligands and binding sites
- EDO · 1,2-ethanediol · additive · chains A, E
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 | 122 | 0.40 | 0.75 | 19 | empty |
| 2 | 64 | 0.35 | 0.78 | 21 | empty |
| 3 | 95 | 0.34 | 0.74 | 20 | empty |
| 4 | 82 | 0.32 | 0.74 | 18 | empty |
Interfaces
3 interfaces between chains.
- B–C · 651 Ų buried · 14 hydrogen bonds · protein-protein
- A–E · 647 Ų buried · 14 hydrogen bonds · protein-protein
- A–B · 250 Ų buried · 6 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 16 disulfide (disulfide).
Compared structures
- 6GFI · Structure of Human Mesotrypsin in complex with APPI variant T11V/M17R/I18F/F34V · the same entry in another collection · chain A against A, TM-score 1.00
- P05067 · AlphaFold monomer V2.0 prediction for amyloid-beta precursor protein (P05067) · a predicted model of the same protein · chain E 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 Q8N2U3
- Every structure of UniProt P05067
- Elsewhere: RCSB PDB 6GFI · PDBe 6GFI · UniProt Q8N2U3 · UniProt P05067
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.