7IA1
Group deposition of ZIKV NS2B-NS3 protease in complex with inhibitors from ASAP Discovery Consortium -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0029758-001
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 (A) | Serine protease subunit NS2B | polymer | 46 | 5067.5 | 1 | UniProt (Q32ZE1) Pfam (PF01002) | Zika virus | Flavivirin protease NS2B regulatory subunit,Non-structural protein 2B |
| 2 | B (B) | Serine protease NS3 | polymer | 168 | 18117.6 | 1 | UniProt (Q32ZE1) Pfam (PF00949) | Zika virus | Flavivirin protease NS3 catalytic subunit,Non-structural protein 3 |
| 3 | C (B) | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 1 | Chemie (DMS) | |||
| 4 | D (B) | N-(2,3-dihydro-1H-isoindol-5-yl)-1H-pyrazolo[3,4-c]pyridine-4-carboxamide | non-polymer | 279.3 | 1 | Chemie (A1B8K) | |||
| 5 | E, F (A, B) | water | water | 18.0 | 58 | Chemie (HOH) |
Sequence modifications
A: 46 - 89 (UniProt: Q32ZE1)
B: 11 - 177 (UniProt: Q32ZE1)
| PDB | External Database | Details |
|---|---|---|
| Ser 44 | - | expression tag |
| Met 45 | - | expression tag |
| PDB | External Database | Details |
|---|---|---|
| Met 10 | - | initiating methionine |
| Lys 107 | Arg 1605 | conflict |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 23185.1 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 357.4 | |
| All* | Total formula weight | 23542.5 |
