4XBD
1.45A resolution structure of Norovirus 3CL protease complex with a covalently bound dipeptidyl inhibitor (1R,2S)-2-({N-[(benzyloxy)carbonyl]-3-cyclohexyl-L-alanyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid (Orthorhombic P Form)
Functional Information from GO Data
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 13 |
| Details | binding site for residue M40 A 201 |
| Chain | Residue |
| A | HIS30 |
| A | ALA160 |
| A | HOH329 |
| A | HOH404 |
| A | HOH407 |
| A | GLU54 |
| A | GLN110 |
| A | VAL114 |
| A | THR134 |
| A | CYS139 |
| A | HIS157 |
| A | ALA158 |
| A | ALA159 |
| site_id | AC2 |
| Number of Residues | 20 |
| Details | binding site for Di-peptide M40 B 201 and CYS B 139 |
| Chain | Residue |
| B | GLY15 |
| B | TRP16 |
| B | HIS30 |
| B | VAL31 |
| B | GLU54 |
| B | GLN110 |
| B | THR134 |
| B | PRO136 |
| B | GLY137 |
| B | ASP138 |
| B | GLY140 |
| B | ALA141 |
| B | HIS157 |
| B | ALA158 |
| B | ALA159 |
| B | ALA160 |
| B | HOH314 |
| B | HOH327 |
| B | HOH368 |
| B | HOH394 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 6 |
| Details | ACT_SITE: For 3CLpro activity => ECO:0000255|PROSITE-ProRule:PRU00870, ECO:0000269|PubMed:16641296, ECO:0000269|PubMed:23365454 |
| Chain | Residue | Details |
| A | HIS30 | |
| A | GLU54 | |
| A | CYS139 | |
| B | HIS30 | |
| B | GLU54 | |
| B | CYS139 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 2 |
| Details | SITE: Cleavage; by 3CLpro => ECO:0000305|PubMed:17554035, ECO:0000305|PubMed:20976190 |
| Chain | Residue | Details |
| A | GLU181 | |
| B | GLU181 |
