7H1N
PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with POB0120
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, D, E, G, I... (A, B) | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 6 | Chemie (DMS) | |||
| 4 | F (B) | (2S)-1',4'-dihydro-2'H-spiro[pyrrolidine-2,3'-quinolin]-2'-one | non-polymer | 202.3 | 1 | Chemie (U4C) | |||
| 5 | H (B) | (2R)-1',4'-dihydro-2'H-spiro[pyrrolidine-2,3'-quinolin]-2'-one | non-polymer | 202.3 | 1 | Chemie (W2M) | |||
| 6 | K, L (A, B) | water | water | 18.0 | 110 | 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 | 8 |
| Total formula weight | 873.3 | |
| All* | Total formula weight | 24058.4 |
