7HIA
Group deposition of Chikungunya virus nsP3 macrodomain in complex with inhibitors -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with ASAP-0014722-001 (CHIKV_MacB-x2182)
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 | E, F, G, I, M... (A, B, D) | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 7 | Chemie (DMS) | |||
| 3 | H, J, L, O (A, B, C, D) | (2S,3S)-3-(4-bromophenyl)-2-methyl-3-[(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]propanoic acid | non-polymer | 403.2 | 4 | Chemie (A1AMU) | |||
| 4 | K (C) | CHLORIDE ION | non-polymer | 35.5 | 1 | Chemie (CL) | |||
| 5 | Q, R, S, T (A, B, C, D) | water | water | 18.0 | 692 | 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 | 12 |
| Total formula weight | 2195.3 | |
| All* | Total formula weight | 73472.2 |
