2J9J
Atomic-resolution Crystal Structure of Chemically-Synthesized HIV-1 Protease Complexed with Inhibitor JG-365
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A | PROTEASE | polymer | 99 | 10746.6 | 1 | UniProt (O38907) Pfam (PF00077) UniProt (by SIFTS) (P03369) In PDB | HUMAN IMMUNODEFICIENCY VIRUS 1 | HIV1-PROTEASE |
| 2 | B | PROTEASE | polymer | 99 | 10732.6 | 1 | UniProt (O38907) Pfam (PF00077) UniProt (by SIFTS) (P03369) In PDB | HUMAN IMMUNODEFICIENCY VIRUS 1 | HIV1-PROTEASE |
| 3 | C | INHIBITOR MOLECULE JG365 | polymer | 7 | 845.0 | 1 | BIRD (PRD_000228) | SYNTHETIC CONSTRUCT | |
| 4 | A, B | SULFATE ION | non-polymer | 96.1 | 3 | Chemie (SO4) | |||
| 5 | A | GLYCEROL | non-polymer | 92.1 | 2 | Chemie (GOL) | |||
| 6 | B | ACETATE ION | non-polymer | 59.0 | 1 | Chemie (ACT) | |||
| 7 | water | water | 18.0 | 240 | Chemie (HOH) |
Sequence modifications
A: 1 - 99 (UniProt: O38907)
B: 1 - 99 (UniProt: O38907)
| PDB | External Database | Details |
|---|---|---|
| Lys 7 | Gln 7 | conflict |
| Nle 36 | Met 36 | conflict |
| Slz 41 | Arg 41 | conflict |
| Nle 46 | Met 46 | conflict |
| Ile 62 | Val 62 | conflict |
| Val 64 | Ile 64 | conflict |
| Ile 93 | Leu 93 | conflict |
| PDB | External Database | Details |
|---|---|---|
| Lys 7 | Gln 7 | conflict |
| Asn 18 | Gln 18 | conflict |
| Nle 36 | Met 36 | conflict |
| Slz 41 | Arg 41 | conflict |
| Nle 46 | Met 46 | conflict |
| Ile 62 | Val 62 | conflict |
| Val 64 | Ile 64 | conflict |
| Ile 93 | Leu 93 | conflict |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 3 |
| Total formula weight | 22324.3 | |
| Non-Polymers* | Number of molecules | 6 |
| Total formula weight | 531.4 | |
| All* | Total formula weight | 22855.7 |
