MolNFT v1 · #106818 · protein
Crystal structure of PVSUB1
4TR2 · Subtilisin-like 1 serine protease: “Crystal structure of PVSUB1”. X-ray diffraction, 2 ligands (CA, PO4), 13 pockets (best druggability 0.84). MolNFT v1 #106818 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4TR2
- Type
- protein
- Length
- 945 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Subtilisin-like 1 serine protease
- UniProt
- E6Y8B9
- Ligands
- CA, PO4
- Pockets
- 13 · best druggability 0.84
Structure
x-ray diffraction · 2 distinct chains · 34% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Subtilisin-like 1 serine protease | protein | 471 | 34% helix, 22% strand | E6Y8B9 |
| B | Subtilisin-like 1 serine protease | protein | 474 | 34% helix, 22% strand | E6Y8B9 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
13 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1175 | 0.84 | 0.85 | 123 | PO4 |
| 2 | 200 | 0.61 | 0.82 | 30 | PO4 |
| 3 | 341 | 0.54 | 0.74 | 48 | empty |
| 4 | 310 | 0.53 | 0.74 | 53 | empty |
| 5 | 76 | 0.52 | 0.85 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 1903 Ų buried · 28 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 disulfide (disulfide).
Compared structures
- 4TR2 · Crystal structure of PvSUB1 · 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 E6Y8B9
- Elsewhere: RCSB PDB 4TR2 · PDBe 4TR2 · UniProt E6Y8B9
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