9F2Q
Crystal structure of Keap1 kelch domain in complex with a tetrahydroisoquinoline-based small molecule inhibitor at 1.2A resolution
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 (A) | Kelch-like ECH-associated protein 1 | polymer | 304 | 33362.3 | 1 | UniProt (Q9Z2X8) Pfam (PF01344) | Mus musculus (house mouse) | Cytosolic inhibitor of Nrf2,INrf2 |
| 2 | B (A) | (R)-2-(2-((4-methoxyphenyl)sulfonyl)-1,2,3,4-tetrahydroisoquinolin-7-yl)-2-(9-oxo-9H-fluorene-4-carboxamido)acetate | non-polymer | 582.6 | 1 | Chemie (A1H9B) | |||
| 3 | C, D, E, F, G (A) | SULFATE ION | non-polymer | 96.1 | 5 | Chemie (SO4) | |||
| 4 | H, I, J, K, L... (A) | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 14 | Chemie (DMS) | |||
| 5 | V, W, X (A) | CHLORIDE ION | non-polymer | 35.5 | 3 | Chemie (CL) | |||
| 6 | Y (A) | water | water | 18.0 | 349 | Chemie (HOH) |
Sequence modifications
A: 322 - 624 (UniProt: Q9Z2X8)
| PDB | External Database | Details |
|---|---|---|
| Gly 321 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 33362.3 | |
| Non-Polymers* | Number of molecules | 23 |
| Total formula weight | 2263.2 | |
| All* | Total formula weight | 35625.5 |
