3FCL
Complex of UNG2 and a fragment-based designed inhibitor
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B (A, B) | Uracil-DNA glycosylase | polymer | 223 | 25544.1 | 2 | UniProt (P13051) Pfam (PF03167) | Homo sapiens (Human) | UDG |
| 2 | C, H (A, B) | 3-{[(4-{[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]amino}butyl)amino]methyl}benzoic acid | non-polymer | 346.4 | 2 | Chemie (3FL) | |||
| 3 | D, E, F, G, I... (A, B) | THIOCYANATE ION | non-polymer | 58.1 | 8 | Chemie (SCN) | |||
| 4 | M, N (A, B) | water | water | 18.0 | 563 | Chemie (HOH) |
Sequence modifications
A, B: 85 - 304 (UniProt: P13051)
| PDB | External Database | Details |
|---|---|---|
| Met 82 | - | expression tag |
| Glu 83 | - | expression tag |
| Phe 84 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 51088.3 | |
| Non-Polymers* | Number of molecules | 10 |
| Total formula weight | 1157.4 | |
| All* | Total formula weight | 52245.7 |
