5LC0
Crystal structure of Zika virus NS2B-NS3 protease in complex with a boronate inhibitor
Entity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | A, B | NS2B-NS3 protease,NS2B-NS3 protease | polymer | 230 | 24233.1 | 2 | UniProt (A0A140FB25) UniProt (A0A140DLX4) Pfam (PF01002) Pfam (PF00949) In PDB | Zika virus (ZIKV) | |
2 | A, B | N-((S)-3-(4-(aminomethyl)phenyl)-1-(((R)-4-guanidino-1-(5-hydroxy-1,3,2-dioxaborinan-2-yl)butyl)amino)-1-oxopropan-2-yl)benzamide | non-polymer | 510.4 | 2 | Chemie (6T8) | |||
3 | water | water | 18.0 | 15 | Chemie (HOH) |
Sequence modifications
A, B: 49 - 991 (UniProt: A0A140FB25)
A, B: 1001 - 1170 (UniProt: A0A140DLX4)
PDB | External Database | Details |
---|---|---|
Gly -4 | - | expression tag |
Ser -3 | - | expression tag |
His -2 | - | expression tag |
Met -1 | - | expression tag |
Ala 991 | Arg 1467 | engineered mutation |
Gly 992 | - | linker |
Gly 993 | - | linker |
Gly 994 | - | linker |
Gly 995 | - | linker |
Ser 996 | - | linker |
Gly 997 | - | linker |
Gly 998 | - | linker |
Gly 999 | - | linker |
Gly 1000 | - | linker |
PDB | External Database | Details |
---|---|---|
Gly 1029 | Arg 1531 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 2 |
Total formula weight | 48466.2 | |
Non-Polymers* | Number of molecules | 2 |
Total formula weight | 1020.8 | |
All* | Total formula weight | 49487.0 |