4IN4
Crystal structure of cpd 15 bound to Keap1 Kelch domain
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 | Kelch-like ECH-associated protein 1 | polymer | 299 | 32678.6 | 3 | UniProt (Q14145) Pfam (PF01344) In PDB | Homo sapiens (human) | Cytosolic inhibitor of Nrf2, INrf2, Kelch-like protein 19 |
| 2 | A, B, C | PHOSPHATE ION | non-polymer | 95.0 | 8 | Chemie (PO4) | |||
| 3 | A, B, C | 2-({5-[(2,4-dimethylphenyl)sulfonyl]-6-oxo-1,6-dihydropyrimidin-2-yl}sulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide | non-polymer | 497.5 | 6 | Chemie (4ID) | |||
| 4 | water | water | 18.0 | 165 | Chemie (HOH) |
Sequence modifications
A, B, C: 321 - 609 (UniProt: Q14145)
| PDB | External Database | Details |
|---|---|---|
| Ser 311 | - | expression tag |
| Gly 312 | - | expression tag |
| Leu 313 | - | expression tag |
| Val 314 | - | expression tag |
| Pro 315 | - | expression tag |
| Arg 316 | - | expression tag |
| Gly 317 | - | expression tag |
| Ser 318 | - | expression tag |
| His 319 | - | expression tag |
| Met 320 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 3 |
| Total formula weight | 98035.7 | |
| Non-Polymers* | Number of molecules | 14 |
| Total formula weight | 3744.8 | |
| All* | Total formula weight | 101780.5 |
