4N1B
STRUCTURE OF KEAP1 KELCH DOMAIN WITH(1S,2R)-2-[(1S)-1-[(1-oxo-2,3-dihydro-1H-isoindol-2-Yl)methyl]-1,2,3,4-tetrahydroisoquinoline-2-Carbonyl]cyclohexane-1-carboxylic acid
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 (A, B, C) | Kelch-like ECH-associated protein 1 | polymer | 300 | 33009.8 | 3 | UniProt (Q14145) Pfam (PF01344) | Homo sapiens (human) | Cytosolic inhibitor of Nrf2, INrf2, Kelch-like protein 19 |
| 2 | D, E, G (A, B, C) | (1S,2R)-2-{[(1S)-1-[(1-oxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-3,4-dihydroisoquinolin-2(1H)-yl]carbonyl}cyclohexanecarboxylic acid | non-polymer | 432.5 | 3 | Chemie (2FS) | |||
| 3 | F, H (B, C) | ACETATE ION | non-polymer | 59.0 | 2 | Chemie (ACT) | |||
| 4 | I, J, K (A, B, C) | water | water | 18.0 | 28 | Chemie (HOH) |
Sequence modifications
A, B, C: 321 - 611 (UniProt: Q14145)
| PDB | External Database | Details |
|---|---|---|
| Met 318 | - | expression tag |
| Gly 319 | - | expression tag |
| His 320 | - | expression tag |
| Asp 354 | Arg 354 | engineered mutation |
| Leu 610 | Met 610 | conflict |
| His 612 | - | expression tag |
| His 613 | - | expression tag |
| His 614 | - | expression tag |
| His 615 | - | expression tag |
| His 616 | - | expression tag |
| His 617 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 3 |
| Total formula weight | 99029.4 | |
| Non-Polymers* | Number of molecules | 5 |
| Total formula weight | 1415.6 | |
| All* | Total formula weight | 100445.0 |
