5JG1
HIV-1 wild Type protease with GRL-031-14A (a Adamantane P1-Ligand with tetrahydropyrano-tetrahydrofuran in P2 and isobutylamine in P1')
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 (C8B467) Pfam (PF00077) UniProt (by SIFTS) (P03366) In PDB | Human immunodeficiency virus 1 | |
2 | A, B | SODIUM ION | non-polymer | 23.0 | 3 | Chemie (NA) | |||
3 | A, B | CHLORIDE ION | non-polymer | 35.5 | 2 | Chemie (CL) | |||
4 | A | GLYCEROL | non-polymer | 92.1 | 1 | Chemie (GOL) | |||
5 | B | (3R,3aS,7aR)-hexahydro-4H-furo[2,3-b]pyran-3-yl {(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-[(3R,5R,7R)-tricyclo[3.3.1.1~3,7~]decan-1-yl]butan-2-yl}carbamate | non-polymer | 634.8 | 1 | Chemie (6KR) | |||
6 | water | water | 18.0 | 182 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 99 (UniProt: C8B467)
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 | 7 |
Total formula weight | 866.8 | |
All* | Total formula weight | 22348.1 |