4K4R
TL-3 inhibited Trp6Ala HIV Protease with 1-bromo-2-napthoic acid bound in exosite
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B | Gag-Pol polyprotein | polymer | 99 | 10716.7 | 2 | UniProt (P12499) Pfam (PF00077) In PDB | Human immunodeficiency virus type 1 (HIV-1) | |
| 2 | A | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 1 | Chemie (DMS) | |||
| 3 | A, B | 1-bromonaphthalene-2-carboxylic acid | non-polymer | 251.1 | 2 | Chemie (27B) | |||
| 4 | A, B | NITRATE ION | non-polymer | 62.0 | 5 | Chemie (NO3) | |||
| 5 | A | benzyl [(1S,4S,7S,8R,9R,10S,13S,16S)-7,10-dibenzyl-8,9-dihydroxy-1,16-dimethyl-4,13-bis(1-methylethyl)-2,5,12,15,18-pentaoxo-20-phenyl-19-oxa-3,6,11,14,17-pentaazaicos-1-yl]carbamate | non-polymer | 909.1 | 1 | BIRD (PRD_000434) Chemie (3TL) | |||
| 6 | B | BROMIDE ION | non-polymer | 79.9 | 1 | Chemie (BR) | |||
| 7 | water | water | 18.0 | 64 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 99 (UniProt: P12499)
| PDB | External Database | Details |
|---|---|---|
| Ala 6 | Trp 6 | engineered mutation |
| Lys 7 | Gln 7 | SEE REMARK 999 |
| Arg 41 | Lys 41 | SEE REMARK 999 |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 21433.4 | |
| Non-Polymers* | Number of molecules | 10 |
| Total formula weight | 1879.3 | |
| All* | Total formula weight | 23312.7 |
