3KFN
HIV Protease (PR) with inhibitor TL-3 and fragment hit 4D9 by soaking
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B (A, B) | Protease | polymer | 99 | 10831.8 | 2 | UniProt (Q903N5) UniProt (by SIFTS) (P12499) | Human immunodeficiency virus 1 | |
| 2 | C (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) PubChem (21871574) PubChem (71710899) PubChem (471761) PubChem (5482314) PubChem (5481249) PubChem (162533696) | |||
| 3 | D (A) | (1S,2S)-2-methylcyclohexanol | non-polymer | 114.2 | 1 | Chemie (4DX) PubChem (11418) PubChem (24004) PubChem (24006) PubChem (45051661) PubChem (642632) PubChem (5325949) PubChem (10975454) PubChem (12249379) PubChem (12249380) | |||
| 4 | E, F, G, J (A, B) | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 4 | Chemie (DMS) PubChem (679) | |||
| 5 | H, K (A, B) | POTASSIUM ION | non-polymer | 39.1 | 2 | Chemie (K) PubChem (813) | |||
| 6 | I (B) | BETA-MERCAPTOETHANOL | non-polymer | 78.1 | 1 | Chemie (BME) | |||
| 7 | L, M (A, B) | water | water | 18.0 | 201 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 99 (UniProt: Q903N5)
| PDB | External Database | Details |
|---|---|---|
| Lys 7 | Arg 7 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 21663.7 | |
| Non-Polymers* | Number of molecules | 9 |
| Total formula weight | 1492.1 | |
| All* | Total formula weight | 23155.8 |
