3S85
Discovery of New HIV Protease Inhibitors with Potential for Convenient Dosing and Reduced Side Effects: A-790742 and A-792611.
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0004190 | molecular_function | aspartic-type endopeptidase activity |
| A | 0006508 | biological_process | proteolysis |
| B | 0004190 | molecular_function | aspartic-type endopeptidase activity |
| B | 0006508 | biological_process | proteolysis |
| C | 0004190 | molecular_function | aspartic-type endopeptidase activity |
| C | 0006508 | biological_process | proteolysis |
| D | 0004190 | molecular_function | aspartic-type endopeptidase activity |
| D | 0006508 | biological_process | proteolysis |
| E | 0004190 | molecular_function | aspartic-type endopeptidase activity |
| E | 0006508 | biological_process | proteolysis |
| F | 0004190 | molecular_function | aspartic-type endopeptidase activity |
| F | 0006508 | biological_process | proteolysis |
| G | 0004190 | molecular_function | aspartic-type endopeptidase activity |
| G | 0006508 | biological_process | proteolysis |
| H | 0004190 | molecular_function | aspartic-type endopeptidase activity |
| H | 0006508 | biological_process | proteolysis |
| I | 0004190 | molecular_function | aspartic-type endopeptidase activity |
| I | 0006508 | biological_process | proteolysis |
| J | 0004190 | molecular_function | aspartic-type endopeptidase activity |
| J | 0006508 | biological_process | proteolysis |
| K | 0004190 | molecular_function | aspartic-type endopeptidase activity |
| K | 0006508 | biological_process | proteolysis |
| L | 0004190 | molecular_function | aspartic-type endopeptidase activity |
| L | 0006508 | biological_process | proteolysis |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 17 |
| Details | BINDING SITE FOR RESIDUE LK0 B 1000 |
| Chain | Residue |
| A | ARG8 |
| B | ASP25 |
| B | GLY27 |
| B | ALA28 |
| B | ASP29 |
| B | GLY48 |
| B | GLY49 |
| B | PRO81 |
| B | VAL82 |
| A | ASP25 |
| A | GLY27 |
| A | ALA28 |
| A | ASP29 |
| A | GLY48 |
| A | GLY49 |
| A | ILE50 |
| B | ARG8 |
| site_id | AC2 |
| Number of Residues | 17 |
| Details | BINDING SITE FOR RESIDUE LK0 E 1001 |
| Chain | Residue |
| C | TRP6 |
| E | ARG8 |
| E | ASP25 |
| E | GLY27 |
| E | ALA28 |
| E | ASP29 |
| E | GLY48 |
| E | GLY49 |
| F | ARG8 |
| F | ASP25 |
| F | GLY27 |
| F | ALA28 |
| F | ASP29 |
| F | ASP30 |
| F | GLY48 |
| F | GLY49 |
| F | PRO81 |
| site_id | AC3 |
| Number of Residues | 17 |
| Details | BINDING SITE FOR RESIDUE LK0 C 1002 |
| Chain | Residue |
| C | ARG8 |
| C | ASP25 |
| C | GLY27 |
| C | ASP29 |
| C | GLY48 |
| C | GLY49 |
| C | ILE50 |
| C | PRO81 |
| D | ARG8 |
| D | ASP25 |
| D | GLY27 |
| D | ALA28 |
| D | ASP29 |
| D | GLY48 |
| D | GLY49 |
| D | PRO81 |
| F | TRP6 |
| site_id | AC4 |
| Number of Residues | 16 |
| Details | BINDING SITE FOR RESIDUE LK0 H 1003 |
| Chain | Residue |
| A | TRP6 |
| G | ASP25 |
| G | GLY27 |
| G | ALA28 |
| G | ASP29 |
| G | GLY48 |
| G | GLY49 |
| G | PRO81 |
| H | ARG8 |
| H | ASP25 |
| H | GLY27 |
| H | ALA28 |
| H | ASP29 |
| H | GLY48 |
| H | GLY49 |
| H | PRO81 |
| site_id | AC5 |
| Number of Residues | 17 |
| Details | BINDING SITE FOR RESIDUE LK0 K 1004 |
| Chain | Residue |
| G | GLU35 |
| K | ASP25 |
| K | GLY27 |
| K | ASP29 |
| K | GLY48 |
| K | GLY49 |
| K | PRO81 |
| K | VAL82 |
| L | ARG8 |
| L | ASP25 |
| L | GLY27 |
| L | ASP29 |
| L | ASP30 |
| L | ILE47 |
| L | GLY48 |
| L | GLY49 |
| L | PRO81 |
| site_id | AC6 |
| Number of Residues | 17 |
| Details | BINDING SITE FOR RESIDUE LK0 I 1005 |
| Chain | Residue |
| J | GLY49 |
| J | PRO81 |
| A | GLU35 |
| I | ASP25 |
| I | GLY27 |
| I | ALA28 |
| I | ASP29 |
| I | GLY48 |
| I | GLY49 |
| I | ILE50 |
| I | PRO81 |
| J | ARG8 |
| J | ASP25 |
| J | GLY27 |
| J | ALA28 |
| J | ASP29 |
| J | GLY48 |
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_FI2 |
| Number of Residues | 120 |
| 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 | 12 |
| Details | Active site: {"description":"For protease activity; shared with dimeric partner","evidences":[{"source":"PROSITE-ProRule","id":"PRU10094","evidenceCode":"ECO:0000255"}]} |
| Chain | Residue | Details |
