3ATW
Structure-Based Design, Synthesis, Evaluation of Peptide-mimetic SARS 3CL Protease Inhibitors
Functional Information from GO Data
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 22 |
| Details | BINDING SITE FOR CHAIN C OF PEPTIDE ACE-THR-VAL-ALC-HIS-H |
| Chain | Residue |
| A | HIS41 |
| A | HIS164 |
| A | MET165 |
| A | GLU166 |
| A | PRO168 |
| A | ASP187 |
| A | ILE188 |
| A | GLN189 |
| A | THR190 |
| A | GLN192 |
| A | HOH445 |
| A | MET49 |
| A | HOH474 |
| C | HOH101 |
| C | HOH102 |
| A | PHE140 |
| A | LEU141 |
| A | ASN142 |
| A | GLY143 |
| A | SER144 |
| A | CYS145 |
| A | HIS163 |
| site_id | AC2 |
| Number of Residues | 18 |
| Details | BINDING SITE FOR CHAIN D OF PEPTIDE ACE-THR-VAL-ALC-HIS-H |
| Chain | Residue |
| B | MET49 |
| B | PHE140 |
| B | LEU141 |
| B | ASN142 |
| B | GLY143 |
| B | SER144 |
| B | CYS145 |
| B | HIS163 |
| B | HIS164 |
| B | MET165 |
| B | GLU166 |
| B | LEU167 |
| B | PRO168 |
| B | ASP187 |
| B | ILE188 |
| B | GLN189 |
| B | THR190 |
| D | HOH101 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 2 |
| Details | Active site: {"description":"For 3CL-PRO activity","evidences":[{"source":"PROSITE-ProRule","id":"PRU00772","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"16306590","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 2 |
| Details | Active site: {"description":"For 3CL-PRO activity","evidences":[{"source":"PROSITE-ProRule","id":"PRU00772","evidenceCode":"ECO:0000255"}]} |
| Chain | Residue | Details |
