7ZNO
Crystal Structure of Unlinked NS2B_NS3 Protease from Zika Virus in Complex with Boronate Inhibitor MI-2270
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 | 53 | 5865.4 | 1 | UniProt (Q32ZE1) Pfam (PF01002) | Zika virus | Flavivirin protease NS2B regulatory subunit,Non-structural protein 2B |
| 2 | B (B) | Serine protease NS3 | polymer | 178 | 19037.6 | 1 | UniProt (Q32ZE1) Pfam (PF00949) | Zika virus | Flavivirin protease NS3 catalytic subunit,Non-structural protein 3 |
| 3 | C (B) | [(1R)-1-[[(2S)-6-azanyl-2-[[(2S)-6-azanyl-2-[2-[3-(4-carbamimidamido-3-oxidanylidene-pentyl)phenyl]ethanoylamino]hexanoyl]amino]hexanoyl]amino]-3-methyl-butyl]boronic acid | non-polymer | 646.6 | 1 | Chemie (JQI) | |||
| 4 | D, E (A, B) | water | water | 18.0 | 75 | 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 | 2 |
| Total formula weight | 24903.0 | |
| Non-Polymers* | Number of molecules | 1 |
| Total formula weight | 646.6 | |
| All* | Total formula weight | 25549.6 |
