2J9K
Atomic-resolution Crystal Structure of Chemically-Synthesized HIV-1 Protease Complexed with Inhibitor MVT-101
Entity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | A, B | PROTEASE | polymer | 99 | 10746.6 | 2 | UniProt (O38907) Pfam (PF00077) UniProt (by SIFTS) (P03369) In PDB | HUMAN IMMUNODEFICIENCY VIRUS 1 | HIV1-PROTEASE |
2 | A | N-{(2S)-2-[(N-acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N~5~-[amino(iminio)methyl]-L-ornithinamide | non-polymer | 771.0 | 1 | BIRD (PRD_000398) Chemie (2NC) | |||
3 | A, B | SULFATE ION | non-polymer | 96.1 | 5 | Chemie (SO4) | |||
4 | A, B | ACETATE ION | non-polymer | 59.0 | 5 | Chemie (ACT) | |||
5 | A | GLYCEROL | non-polymer | 92.1 | 2 | Chemie (GOL) | |||
6 | water | water | 18.0 | 158 | Chemie (HOH) |
Sequence modifications
A, 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 |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 2 |
Total formula weight | 21493.3 | |
Non-Polymers* | Number of molecules | 13 |
Total formula weight | 1730.7 | |
All* | Total formula weight | 23224.0 |