8FUJ
HIV-1 wild type protease with GRL-03419A, with N-(2,5-dimethylphenyl)-4-(pyridin-3-yl)pyrimidin-2-amine as P2-P3 group and 3,5-difluorophenylmethyl as the P1 group
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) UniProt (by SIFTS) (P03367) In PDB | Human immunodeficiency virus 1 | |
2 | A | SODIUM ION | non-polymer | 23.0 | 1 | Chemie (NA) | |||
3 | A, B | CHLORIDE ION | non-polymer | 35.5 | 4 | Chemie (CL) | |||
4 | A | FORMIC ACID | non-polymer | 46.0 | 2 | Chemie (FMT) | |||
5 | B | N-{(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[(4-methoxybenzene-1-sulfonyl)(2-methylpropyl)amino]butan-2-yl}-4-methyl-3-{[(4M)-4-(pyridin-3-yl)pyrimidin-2-yl]amino}benzamide | non-polymer | 730.8 | 1 | Chemie (Y9N) | |||
6 | B | GLYCEROL | non-polymer | 92.1 | 1 | Chemie (GOL) | |||
7 | water | water | 18.0 | 312 | 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 | 9 |
Total formula weight | 1079.8 | |
All* | Total formula weight | 22561.1 |