7HIM
Group deposition of Chikungunya virus nsP3 macrodomain in complex with inhibitors from the READDI-AC AViDD center -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with RA-0188465-01 (CHIKV_MacB-x2188)
This is a non-PDB format compatible entry.
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 | 163 | 17819.2 | 4 | UniProt (Q8JUX6) Pfam (PF01661) | Chikungunya virus | nsP3 |
| 2 | AA, BA, CA, DA, E... (C, D, A, B) | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 19 | Chemie (DMS) | |||
| 3 | FA, GA, J, K, L... (D, A, B, C) | CHLORIDE ION | non-polymer | 35.5 | 10 | Chemie (CL) | |||
| 4 | M (A) | 2-(2-oxopyridin-1(2H)-yl)ethyl 3-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxylate | non-polymer | 297.3 | 1 | Chemie (A1BCG) | |||
| 5 | IA, JA, KA, LA (A, B, C, D) | water | water | 18.0 | 669 | Chemie (HOH) |
Sequence modifications
A, B, C, D: 1 - 160 (UniProt: Q8JUX6)
| PDB | External Database | Details |
|---|---|---|
| Gly -2 | - | expression tag |
| Ala -1 | - | expression tag |
| Met 0 | - | expression tag |
| Thr 77 | Ser 1410 | conflict |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 4 |
| Total formula weight | 71276.9 | |
| Non-Polymers* | Number of molecules | 30 |
| Total formula weight | 2136.4 | |
| All* | Total formula weight | 73413.2 |
