MolNFT v1 · #18888 · protein
Crystal structure of the tobacco etch virus protease C151A mutant
1Q31 · Nuclear inclusion protein a: “Crystal structure of the tobacco etch virus protease C151A mutant”. X-ray diffraction, 5 pockets (best druggability 0.56). MolNFT v1 #18888 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1Q31
- Type
- protein
- Length
- 453 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Nuclear inclusion protein a
- EC
- 3.4.22.44
- UniProt
- P04517
- Pockets
- 5 · best druggability 0.56
Structure
x-ray diffraction · 2 distinct chains · 9% helix, 40% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Nuclear inclusion protein a (EC 3.4.22.44) | protein | 227 | 8% helix, 40% strand | P04517 |
| B | Nuclear inclusion protein a (EC 3.4.22.44) | protein | 226 | 9% helix, 39% strand | P04517 |
Ligands and binding sites
- BME · Beta-mercaptoethanol · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 340 | 0.56 | 0.75 | 34 | empty |
| 2 | 79 | 0.35 | 0.76 | 20 | empty |
| 3 | 72 | 0.31 | 0.74 | 18 | empty |
| 4 | 75 | 0.30 | 0.73 | 16 | empty |
| 5 | 53 | 0.28 | 0.75 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 387 Ų buried · 10 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 covalent (additive adduct).
Compared structures
- 1Q31 · Crystal Structure of the Tobacco Etch Virus Protease C151A mutant · 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 P04517
- Elsewhere: RCSB PDB 1Q31 · PDBe 1Q31 · UniProt P04517
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.