9RM7
Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0036543
This is a non-PDB format compatible entry.
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) | Serine protease subunit NS2B,Serine protease NS3 | polymer | 214 | 23167.1 | 2 | UniProt (Q32ZE1) Pfam (PF01002) Pfam (PF00949) | Zika virus | Flavivirin protease NS2B regulatory subunit,Non-structural protein 2B,Flavivirin protease NS3 catalytic subunit,Non-structural protein 3 |
| 2 | C (B) | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 1 | Chemie (DMS) | |||
| 3 | D (B) | (2~{S})-~{N}-[2,2-bis(fluoranyl)ethyl]-2-(2,3-dihydro-1~{H}-isoindol-5-ylamino)-2-[3-methyl-5-(trifluoromethyl)phenyl]ethanamide | non-polymer | 413.4 | 1 | Chemie (A1JHL) | |||
| 4 | E, F (A, B) | water | water | 18.0 | 128 | Chemie (HOH) |
Sequence modifications
A, B: 46 - 89 (UniProt: Q32ZE1)
A, B: 91 - 257 (UniProt: Q32ZE1)
| PDB | External Database | Details |
|---|---|---|
| Ser 44 | - | expression tag |
| Met 45 | - | expression tag |
| PDB | External Database | Details |
|---|---|---|
| Met 90 | - | linker |
| Lys 187 | Arg 1605 | conflict |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 46334.3 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 491.5 | |
| All* | Total formula weight | 46825.8 |
