8AQB
Crystal Structure of Unlinked NS2B-NS3 Protease from Zika Virus in Complex with Inhibitor MI-2257
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A | Serine protease subunit NS2B | polymer | 53 | 5865.4 | 1 | UniProt (Q32ZE1) Pfam (PF01002) In PDB | Zika virus | Flavivirin protease NS2B regulatory subunit,Non-structural protein 2B |
| 2 | B | Serine protease NS3 | polymer | 178 | 19037.6 | 1 | UniProt (Q32ZE1) Pfam (PF00949) In PDB | Zika virus | Flavivirin protease NS3 catalytic subunit,Non-structural protein 3 |
| 3 | C | (1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl 2,6-diamino-2,6-dideoxy-alpha-D-glucopyranoside | polymer | 5 | 707.8 | 1 | synthetic construct | ||
| 4 | C | ACETATE ION | non-polymer | 59.0 | 1 | Chemie (ACT) | |||
| 5 | water | water | 18.0 | 231 | Chemie (HOH) |
Sequence modifications
A: 46 - 96 (UniProt: Q32ZE1)
B: 1 - 177 (UniProt: Q32ZE1)
| PDB | External Database | Details |
|---|---|---|
| Met 44 | - | initiating methionine |
| Thr 45 | - | expression tag |
| PDB | External Database | Details |
|---|---|---|
| Gly 0 | - | expression tag |
| Lys 107 | Arg 1605 | conflict |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 3 |
| Total formula weight | 25610.8 | |
| Non-Polymers* | Number of molecules | 1 |
| Total formula weight | 59.0 | |
| All* | Total formula weight | 25669.9 |
