9RGA
Crystal structure of Zika NS2B-NS3 protease in complex with follow-up compound EOS87208 from ECBL
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, C (A, C) | Serine protease subunit NS2B | polymer | 53 | 5865.4 | 2 | UniProt (Q32ZE1) Pfam (PF01002) | Zika virus | Flavivirin protease NS2B regulatory subunit,Non-structural protein 2B |
| 2 | B, D (B, D) | Genome polyprotein | polymer | 176 | 18877.4 | 2 | UniProt (Q32ZE1) Pfam (PF00949) | Zika virus | |
| 3 | E (B) | (3,5-dimethylfuran-2-yl)-[(2~{S})-2-(methylaminomethyl)pyrrolidin-1-yl]methanone | non-polymer | 236.3 | 1 | Chemie (A1JFZ) | |||
| 4 | F, G, H, I (A, B, C, D) | water | water | 18.0 | 222 | Chemie (HOH) |
Sequence modifications
A, C: 46 - 96 (UniProt: Q32ZE1)
B, D: 2 - 177 (UniProt: Q32ZE1)
| PDB | External Database | Details |
|---|---|---|
| Met 44 | - | initiating methionine |
| Thr 45 | - | expression tag |
| PDB | External Database | Details |
|---|---|---|
| Lys 107 | Arg 1605 | engineered mutation |
| Ser 143 | Cys 1641 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 4 |
| Total formula weight | 49485.6 | |
| Non-Polymers* | Number of molecules | 1 |
| Total formula weight | 236.3 | |
| All* | Total formula weight | 49721.9 |
