6W0T
Co-crystal structures of CHIKV nsP3 macrodomain with pyrimidone fragments
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B, C, D (A, B, C, D) | Non-structural protein 3 | polymer | 168 | 18518.9 | 4 | UniProt (Q5XXP4) Pfam (PF01661) UniProt (by SIFTS) (Q8JUX6) | Chikungunya virus (strain 37997) (CHIKV) | nsP3 |
| 2 | E, F, G, H (A, B, C, D) | 6-(2-methylpropyl)-2-oxidanylidene-5~{H}-pyrimidine-4-carboxylic acid | non-polymer | 196.2 | 4 | Chemie (S6Y) | |||
| 3 | I, J, K, L (A, B, C, D) | water | water | 18.0 | 128 | Chemie (HOH) |
Sequence modifications
A, B, C, D: 1 - 160 (UniProt: Q5XXP4)
| PDB | External Database | Details |
|---|---|---|
| Gly -7 | - | expression tag |
| Ser -6 | - | expression tag |
| His -5 | - | expression tag |
| His -4 | - | expression tag |
| His -3 | - | expression tag |
| His -2 | - | expression tag |
| His -1 | - | expression tag |
| His 0 | - | expression tag |
| Met 132 | Leu 1465 | conflict |
| Ser 153 | Ala 1486 | conflict |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 4 |
| Total formula weight | 74075.5 | |
| Non-Polymers* | Number of molecules | 4 |
| Total formula weight | 784.8 | |
| All* | Total formula weight | 74860.3 |
