7OC2
Crystal Structure of Unlinked NS2B-NS3 Protease from Zika Virus in Complex with Inhibitor MI-2295
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 (ZIKV) | 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 (ZIKV) | Flavivirin protease NS3 catalytic subunit,Non-structural protein 3 |
| 3 | D | Cyclic 1[2-CHLORO-4-METHOXY-PHENYL-OXYMETHYL]-4-[2,6-DICHLORO-PHENYL-OXYMETHYL]-BENZENE-(7-3)-7-BENZYL-1,3-DIMETHYL-8-PIPERAZIN-1-YL-3,7-DIHYDRO-PURINE-2,6-DIONE-(7-19)-N-ACETYL-L-CYSTEINE-(8-25)-[3R-[3A,4A,5B(S*)]]-5-(1-CARBOXY-1-PHOSPHONOETHOXY)-4-HYDROXY-3-(PHOSPHONOOXY)-1-CYCLOHEXENE-1-CARBOXYLIC ACID-()-(6E,11E)-HEPTADECA-6,11-DIENE-9,9-DIYLBIS(PHOSPHONIC ACID) | polymer | 5 | 706.9 | 1 | synthetic construct | ||
| 4 | water | water | 18.0 | 179 | 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 | 25609.9 | |
| All* | Total formula weight | 25609.9 |
