4CP7
Macrocyclic Transition-State Mimicking HIV-1 Protease Inhibitors Encompassing a Tertiary Alcohol
Functional Information from GO Data
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE CL B 1200 |
| Chain | Residue |
| B | TRP106 |
| B | HOH2087 |
| site_id | AC2 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE CL A 1100 |
| Chain | Residue |
| A | THR74 |
| A | ASN88 |
| A | HOH2130 |
| B | ARG141 |
| site_id | AC3 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE CL B 1201 |
| Chain | Residue |
| B | THR174 |
| B | ASN188 |
| B | HOH2103 |
| site_id | AC4 |
| Number of Residues | 25 |
| Details | BINDING SITE FOR RESIDUE 9MW A 1101 |
| Chain | Residue |
| A | ARG8 |
| A | ASP25 |
| A | GLY27 |
| A | ALA28 |
| A | ASP29 |
| A | ASP30 |
| A | GLY48 |
| A | GLY49 |
| A | PRO81 |
| A | THR82 |
| A | HOH1000 |
| A | HOH2071 |
| A | HOH2093 |
| A | HOH2153 |
| B | LEU123 |
| B | ASP125 |
| B | GLY127 |
| B | ALA128 |
| B | ASP129 |
| B | GLY148 |
| B | GLY149 |
| B | PHE153 |
| B | PRO181 |
| B | THR182 |
| B | HOH2080 |
Functional Information from PROSITE/UniProt
| site_id | PS00141 |
| Number of Residues | 12 |
| Details | ASP_PROTEASE Eukaryotic and viral aspartyl proteases active site. ALLDTGADDTVL |
| Chain | Residue | Details |
| A | ALA22-LEU33 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 138 |
| Details | Domain: {"description":"Peptidase A2","evidences":[{"source":"PROSITE-ProRule","id":"PRU00275","evidenceCode":"ECO:0000255"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 20 |
| Details | Region: {"description":"Dimerization of protease","evidences":[{"source":"UniProtKB","id":"P04585","evidenceCode":"ECO:0000250"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI3 |
| Number of Residues | 2 |
| Details | Active site: {"description":"For protease activity; shared with dimeric partner","evidences":[{"source":"PROSITE-ProRule","id":"PRU10094","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"12924029","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
