6MO1
Structure of dengue virus protease with an allosteric Inhibitor that blocks replication
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B (A, B) | FLAVIVIRUS_NS2B/Peptidase S7 | polymer | 247 | 26330.5 | 2 | UniProt (B3RFT3) UniProt (Q91H74) Pfam (PF01002) Pfam (PF00949) | Dengue virus 2 | |
| 2 | C, D (A, B) | 5-[4-(aminomethyl)phenyl]-6-[4-(furan-3-yl)phenyl]-N-[(piperidin-4-yl)methyl]pyrazin-2-amine | non-polymer | 439.6 | 2 | Chemie (I16) |
Sequence modifications
A, B: 49 - 991 (UniProt: B3RFT3)
A, B: 1001 - 1185 (UniProt: Q91H74)
| PDB | External Database | Details |
|---|---|---|
| Gly 43 | - | expression tag |
| Ser 44 | - | expression tag |
| His 45 | - | expression tag |
| Met 46 | - | expression tag |
| Leu 47 | - | expression tag |
| Met 48 | - | expression tag |
| 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 |
|---|---|---|
| Asn 1167 | Gln 1642 | conflict |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 52661.0 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 879.1 | |
| All* | Total formula weight | 53540.1 |
