4TY9
An Ligand-observed Mass Spectrometry-based Approach Integrated into the Fragment Based Lead Discovery Pipeline
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 | Polyprotein | polymer | 566 | 62767.0 | 4 | UniProt (D0PY27) Pfam (PF00998) In PDB | Hepatitis C virus | |
| 2 | A | 5-(trifluoromethyl)pyridin-2-amine | non-polymer | 162.1 | 1 | Chemie (3B0) |
Sequence modifications
A, B, C, D: 1 - 566 (UniProt: D0PY27)
| PDB | External Database | Details |
|---|---|---|
| Leu 539 | Ile 539 | engineered mutation |
| Ser 549 | Gly 549 | engineered mutation |
| Met 550 | Trp 550 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 4 |
| Total formula weight | 251068.0 | |
| Non-Polymers* | Number of molecules | 1 |
| Total formula weight | 162.1 | |
| All* | Total formula weight | 251230.1 |
