6KK4
Crystal structure of Zika NS2B-NS3 protease with compound 9
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 (ZIKV) | NS2B cofactor |
| 2 | B (B) | NS3 protease | polymer | 178 | 19037.6 | 1 | UniProt (A0A142IX72) Pfam (PF00949) UniProt (by SIFTS) (Q32ZE1) | Zika virus (strain Mr 766) (ZIKV) | |
| 3 | C (B) | 1-[(9~{R},16~{S},19~{S})-16,19-bis(4-azanylbutyl)-4,8,15,18,21-pentakis(oxidanylidene)-3,7,14,17,20-pentazabicyclo[21.3.1]heptacosa-1(26),23(27),24-trien-9-yl]guanidine | non-polymer | 644.8 | 1 | Chemie (DE0) | |||
| 4 | D (B) | GLYCEROL | non-polymer | 92.1 | 1 | Chemie (GOL) | |||
| 5 | E, F (A, B) | water | water | 18.0 | 143 | Chemie (HOH) |
Sequence modifications
A: 46 - 96 (UniProt: Q32ZE1)
B: 1 - 177 (UniProt: A0A142IX72)
| PDB | External Database | Details |
|---|---|---|
| Met 44 | - | initiating methionine |
| Thr 45 | - | expression tag |
| PDB | External Database | Details |
|---|---|---|
| Gly 0 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 24903.0 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 736.9 | |
| All* | Total formula weight | 25639.9 |
