7HIH
Group deposition for combi-soaks of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1741976468, Z3219959731 and Z4628744292 (CHIKV_MacB-x1689)
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 | BA, DA, E, EA, G... (C, D, A, B) | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 10 | Chemie (DMS) | Chikungunya Virus | ||
| 3 | CA, F, R (D, A, B) | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL | non-polymer | 122.1 | 3 | Chemie (TRS) | Chikungunya Virus | ||
| 4 | FA, H, I, O, T... (D, A, B, C) | CHLORIDE ION | non-polymer | 35.5 | 6 | Chemie (CL) | Chikungunya Virus | ||
| 5 | GA, J, P (D, A, B) | imidazolidin-2-one | non-polymer | 86.1 | 3 | Chemie (XJV) | Chikungunya Virus | ||
| 6 | HA, JA, K, M, Q... (D, A, B, C) | pyridazin-3(2H)-one | non-polymer | 96.1 | 6 | Chemie (W3G) | Chikungunya Virus | ||
| 7 | AA, IA, L, S (C, D, A, B) | 4-(4-methyl-1H-pyrazol-5-yl)pyridine | non-polymer | 159.2 | 4 | Chemie (A1AP7) | Chikungunya Virus | ||
| 8 | KA, LA, MA, NA (A, B, C, D) | water | water | 18.0 | 586 | 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 | 32 |
| Total formula weight | 2832.0 | |
| All* | Total formula weight | 74108.9 |
