6CDJ
HIV-1 wild type protease with GRL-03314A, 6-5-5-ring fused umbrella-like tetrahydropyranofuran as the P2-ligand, a cyclopropylaminobenzothiazole as the P2'-ligand and 3,5-difluorophenylmethyl as the P1-ligand
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 | 10740.7 | 2 | UniProt (Q5RZ08) Pfam (PF00077) In PDB | Human immunodeficiency virus 1 | |
2 | A | (2aS,4R,4aS,7aS,7bS)-octahydro-2H-1,7-dioxacyclopenta[cd]inden-4-yl [(2S,3R)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]carbamate | non-polymer | 720.8 | 1 | Chemie (GR8) | |||
3 | A | SODIUM ION | non-polymer | 23.0 | 1 | Chemie (NA) | |||
4 | A, B | CHLORIDE ION | non-polymer | 35.5 | 3 | Chemie (CL) | |||
5 | A | GLYCEROL | non-polymer | 92.1 | 1 | Chemie (GOL) | |||
6 | B | ACETATE ION | non-polymer | 59.0 | 2 | Chemie (ACT) | |||
7 | water | water | 18.0 | 216 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 99 (UniProt: Q5RZ08)
PDB | External Database | Details |
---|---|---|
Lys 7 | Gln 7 | engineered mutation |
Ile 33 | Leu 33 | engineered mutation |
Ile 63 | Leu 63 | engineered mutation |
Ala 67 | Cys 67 | engineered mutation |
Ala 95 | Cys 95 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 2 |
Total formula weight | 21481.4 | |
Non-Polymers* | Number of molecules | 8 |
Total formula weight | 1060.4 | |
All* | Total formula weight | 22541.7 |