8ESY
D30N mutant HIV protease in complex with benzoxaborolone analog of darunavir
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 | 10739.7 | 2 | UniProt (Q5RZ08) Pfam (PF00077) UniProt (by SIFTS) (P04585) In PDB | Human immunodeficiency virus 1 | |
| 2 | A | GLYCEROL | non-polymer | 92.1 | 1 | Chemie (GOL) | |||
| 3 | A, B | CHLORIDE ION | non-polymer | 35.5 | 3 | Chemie (CL) | |||
| 4 | B | [(3~{a}~{S},4~{R},6~{a}~{R})-2,3,3~{a},4,5,6~{a}-hexahydrofuro[2,3-b]furan-4-yl] ~{N}-[(2~{S},3~{R})-4-[[7,7-bis(oxidanyl)-9-oxidanylidene-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-trien-3-yl]sulfonyl-(2-methylpropyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]carbamate | non-polymer | 619.5 | 1 | Chemie (X7B) | |||
| 5 | water | water | 18.0 | 225 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 99 (UniProt: Q5RZ08)
| PDB | External Database | Details |
|---|---|---|
| Lys 7 | Gln 7 | engineered mutation |
| Asn 30 | Asp 30 | 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 | 21479.4 | |
| Non-Polymers* | Number of molecules | 5 |
| Total formula weight | 817.9 | |
| All* | Total formula weight | 22297.3 |
