8DEA
Scaffold Hopping via Ring Opening Enables Identification of Acyclic Compounds as New Complement Factor D Inhibitors
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) | Complement factor D | polymer | 230 | 24597.0 | 4 | UniProt (P00746) Pfam (PF00089) | Homo sapiens (human) | Adipsin,C3 convertase activator,Properdin factor D |
| 2 | E, F, G, J (A, B, C, D) | 1-[(3-acetylphenyl)acetyl]-N-(6-bromopyridin-2-yl)-L-prolinamide | non-polymer | 430.3 | 4 | Chemie (R7X) | |||
| 3 | H, I (C) | GLYCEROL | non-polymer | 92.1 | 2 | Chemie (GOL) | |||
| 4 | K, L, M, N (A, B, C, D) | water | water | 18.0 | 84 | Chemie (HOH) |
Sequence modifications
A, B, C, D: 1 - 228 (UniProt: P00746)
| PDB | External Database | Details |
|---|---|---|
| Ser 229 | - | expression tag |
| Ala 230 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 4 |
| Total formula weight | 98387.9 | |
| Non-Polymers* | Number of molecules | 6 |
| Total formula weight | 1905.4 | |
| All* | Total formula weight | 100293.2 |
