MolNFT v1 · #151011 · protein
Crystal structure of mesotrypsin in complex with appi-M17C/I18F/F34C
6HAR · PRSS3 protein: “Crystal structure of mesotrypsin in complex with appi-M17C/I18F/F34C”. X-ray diffraction, 1 ligand (CA), 1 pocket (best druggability 0.37). MolNFT v1 #151011 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 6HAR
- Type
- protein
- Length
- 278 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- PRSS3 protein; Amyloid-beta A4 protein
- UniProt
- Q8N2U3, H7C0V9
- Ligands
- CA
- Pockets
- 1 · best druggability 0.37
Structure
x-ray diffraction · 2 distinct chains · 13% helix, 35% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | PRSS3 protein | protein | 224 | 11% helix, 36% strand | Q8N2U3 |
| E | Amyloid-beta A4 protein | protein | 54 | 20% helix, 30% strand | H7C0V9 |
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 | 90 | 0.37 | 0.76 | 19 | empty |
Interfaces
1 interface between chains.
- A–E · 655 Ų buried · 15 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 9 disulfide (disulfide).
Compared structures
- 6HAR · Crystal structure of Mesotrypsin in complex with APPI-M17C/I18F/F34C · the same entry in another collection · 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 Q8N2U3
- Every structure of UniProt H7C0V9
- Elsewhere: RCSB PDB 6HAR · PDBe 6HAR · UniProt Q8N2U3 · UniProt H7C0V9
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