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 | Serine protease subunit NS2B | polymer | 53 | 5865.4 | 1 | UniProt (Q32ZE1) Pfam (PF01002) In PDB | Zika virus (ZIKV) | NS2B cofactor |
2 | B | NS3 protease | polymer | 178 | 19037.6 | 1 | UniProt (A0A142IX72) Pfam (PF00949) UniProt (by SIFTS) (Q32ZE1) In PDB | Zika virus (strain Mr 766) (ZIKV) | |
3 | 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 | B | GLYCEROL | non-polymer | 92.1 | 1 | Chemie (GOL) | |||
5 | 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 |