MolNFT v1 · #117181 · protein
1.20 a resolution structure of norovirus 3CL protease in complex with a triazole-based macrocyclic (21-mer) inhibitor
5E0J · Norovirus 3C-like protease: “1.20 a resolution structure of norovirus 3CL protease in complex with a triazole-based macrocyclic (21-mer)…”. X-ray diffraction, 2 ligands (5LJ, CL). MolNFT v1 #117181 on GenesisL1: 3D structure…
- PDB
- 5E0J
- Type
- protein
- Length
- 174 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
- 5LJ, CL
Structure
x-ray diffraction · 1 distinct chain · 7% helix, 51% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Norovirus 3C-like protease (EC 3.4.22.66) | protein | 174 | 7% helix, 51% strand | Q83883 |
Ligands and binding sites
- 5LJ · (phenylmethyl) ~{N}-[(12~{S},15~{S},18~{S})-15-(cyclohexylmethyl)-12-(hydroxymethyl)-9,14,17-tris(oxidanylidene)-1,8,13,16,21,22-hexazabicyclo[18.2.1]tricosa-20(23),21-dien-18-yl]carbamate · ligand · chains A
- CL · Chloride ion · ion · 3 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Modifications
Observed in the structure: 1 covalent (covalent ligand).
Compared structures
- 5E0J · 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 5E0J · PDBe 5E0J · UniProt Q83883
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