3K4V
New crystal form of HIV-1 Protease/Saquinavir structure reveals carbamylation of N-terminal proline
Entity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | A, B | HIV-1 Protease | polymer | 100 | 10767.7 | 2 | UniProt (P03366) Pfam (PF00077) In PDB | Human immunodeficiency virus type 1 (HIV-1) | Protease |
2 | C, D | HIV-1 Protease | polymer | 99 | 10740.7 | 2 | UniProt (P03366) Pfam (PF00077) In PDB | Human immunodeficiency virus type 1 (HIV-1) | Protease |
3 | A, C, D | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 4 | Chemie (DMS) | |||
4 | B, D | (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide | non-polymer | 670.8 | 2 | BIRD (PRD_000454) Chemie (ROC) | |||
5 | B | CHLORIDE ION | non-polymer | 35.5 | 1 | Chemie (CL) | |||
6 | water | water | 18.0 | 189 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 99 (UniProt: P03366)
C, D: 1 - 99 (UniProt: P03366)
PDB | External Database | Details |
---|---|---|
Arf 0 | - | SEE REMARK 999 |
Lys 7 | Gln 507 | engineered mutation |
Ile 33 | Leu 533 | engineered mutation |
Ile 63 | Leu 563 | engineered mutation |
Ala 67 | Cys 567 | engineered mutation |
Ala 95 | Cys 595 | engineered mutation |
PDB | External Database | Details |
---|---|---|
Lys 7 | Gln 507 | engineered mutation |
Ile 33 | Leu 533 | engineered mutation |
Ile 63 | Leu 563 | engineered mutation |
Ala 67 | Cys 567 | engineered mutation |
Ala 95 | Cys 595 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 4 |
Total formula weight | 43016.8 | |
Non-Polymers* | Number of molecules | 7 |
Total formula weight | 1689.7 | |
All* | Total formula weight | 44706.4 |