5IDK
Crystal structure of West Nile Virus NS2B-NS3 protease in complex with a capped dipeptide boronate inhibitor
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B, C (A, B, C) | Genome polyprotein,SERINE PROTEASE SUBUNIT NS2B, SERINE PROTEASE NS3 | polymer | 230 | 24602.4 | 3 | UniProt (P06935) Pfam (PF01002) Pfam (PF00949) | West Nile virus (WNV) | |
| 2 | D, E, G (A, B, C) | ((R)-1-((S)-3-(4-(aminomethyl)phenyl)-2-benzamidopropaneamido)-4-guanidinobutyl)boronic acid, cyclic double ester with glycerol | non-polymer | 510.4 | 3 | Chemie (6A8) | |||
| 3 | F (B) | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 1 | Chemie (DMS) | |||
| 4 | H (C) | GLYCEROL | non-polymer | 92.1 | 1 | Chemie (GOL) | |||
| 5 | I, J, K (A, B, C) | water | water | 18.0 | 637 | Chemie (HOH) |
Sequence modifications
A, B, C: 50 - 1063 (UniProt: P06935)
A, B, C: 1001 - 1170 (PDB: 5IDK)
| PDB | External Database | Details |
|---|---|---|
| Gly 46 | - | expression tag |
| Ser 47 | - | expression tag |
| His 48 | - | expression tag |
| Met 49 | - | expression tag |
| Ala 991 | - | linker |
| Gly 992 | - | linker |
| Gly 993 | - | linker |
| Gly 994 | - | linker |
| Gly 995 | - | linker |
| Ser 996 | - | linker |
| Gly 997 | - | linker |
| Gly 998 | - | linker |
| Gly 999 | - | linker |
| Gly 1000 | - | linker |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 3 |
| Total formula weight | 73807.1 | |
| Non-Polymers* | Number of molecules | 5 |
| Total formula weight | 1701.4 | |
| All* | Total formula weight | 75508.5 |
