Research workbench
1.20 a resolution structure of norovirus 3CL protease in complex with a triazole-based macrocyclic (17-mer) inhibitor
Analyse 1.20 a resolution structure of norovirus 3CL protease in complex with a… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5E0G
- Type
- protein
- Length
- 173 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Norovirus 3C-like protease
- EC
- 3.4.22.66
- UniProt
- Q83883
- Ligands
- 5LG, CL
- Pockets
- 1 · best druggability 0.35
Structure
x-ray diffraction · 1 distinct chain · 9% helix, 50% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Norovirus 3C-like protease (EC 3.4.22.66) | protein | 173 | 9% helix, 50% strand | Q83883 |
Ligands and binding sites
- 5LG · (phenylmethyl) ~{N}-[(8~{S},11~{S},14~{S})-8-(hydroxymethyl)-11-(2-methylpropyl)-5,10,13-tris(oxidanylidene)-1,4,9,12,17,18-hexazabicyclo[14.2.1]nonadeca-16(19),17-dien-14-yl]carbamate · ligand · chains A
- CL · Chloride ion · ion · chains A
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 | 70 | 0.35 | 0.77 | 15 | 5LG |
Modifications
Observed in the structure: 1 covalent (covalent ligand).
Compared structures
- 5E0G · 1.20 A resolution structure of Norovirus 3CL protease in complex with a triazole-based… · 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 Q83883
- Elsewhere: RCSB PDB 5E0G · PDBe 5E0G · UniProt Q83883
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.