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1.85A resolution structure of norovirus 3CL protease complex with a covalently bound dipeptidyl inhibitor diethyl [(1R,2S)-2-[(N-{[(3- CHLOROBENZYL)OXY]CARBONYL}-3-cyclohexyl-L-ALANYL)AMINO]-1-hydroxy-3- (2-oxo-2H-pyrrol-3-YL)PROPYL]PHOSPHONATE

Analyse 1.85A resolution structure of norovirus 3CL protease complex with a covalently… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 4XBB
Type: protein
Length: 165 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: 3C-like protease
EC: 3.4.22.66
UniProt: Q83883
Ligands: 3ZR, SO4

Structure

x-ray diffraction · 1 distinct chain · 6% helix, 53% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	3C-like protease (EC 3.4.22.66)	protein	165	6% helix, 53% strand	Q83883

Ligands and binding sites

3ZR · diethyl [(1R,2S)-2-[(N-{[(3-chlorobenzyl)oxy]carbonyl}-3-cyclohexyl-L-alanyl)amino]-1-hydroxy-3-(2-oxo-2H-pyrrol-3-yl)propyl]phosphonate · ligand · chains A
SO4 · Sulfate ion · ion · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Modifications

Observed in the structure: 1 covalent, 1 disulfide (covalent ligand, disulfide).

Compared structures

4XBB · 1.85A resolution structure of Norovirus 3CL protease complex with a covalently bound… · 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 4XBB · PDBe 4XBB · UniProt Q83883

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