6UF0
Crystal structure of N-(4-((4-methoxy-N-(2,2,2-trifluoroethyl)phenyl)sulfonamido)isoquinolin-1-yl)-N-((4-methoxyphenyl)sulfonyl)glycine bound to human 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 (A, B) | Kelch-like ECH-associated protein 1 | polymer | 290 | 31625.4 | 2 | UniProt (Q14145) Pfam (PF01344) | Homo sapiens (Human) | Cytosolic inhibitor of Nrf2, INrf2, Kelch-like protein 19 |
| 2 | C (A) | N-[(4-methoxyphenyl)sulfonyl]-N-(4-{[(4-methoxyphenyl)sulfonyl](2,2,2-trifluoroethyl)amino}isoquinolin-1-yl)glycine | non-polymer | 639.6 | 1 | Chemie (Q5V) | |||
| 3 | D, E, G, H, I... (A, B) | FORMIC ACID | non-polymer | 46.0 | 8 | Chemie (FMT) | |||
| 4 | F (A) | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 1 | Chemie (DMS) | |||
| 5 | K, O (A, B) | SODIUM ION | non-polymer | 23.0 | 2 | Chemie (NA) | |||
| 6 | L (B) | N-[(4-methoxyphenyl)sulfonyl]-N-(4-{[(4-methoxyphenyl)sulfonyl]amino}naphthalen-1-yl)glycine | non-polymer | 556.6 | 1 | Chemie (Q5Y) | |||
| 7 | P, Q (A, B) | water | water | 18.0 | 302 | Chemie (HOH) |
Sequence modifications
A, B: 321 - 609 (UniProt: Q14145)
| PDB | External Database | Details |
|---|---|---|
| Ser 320 | - | expression tag |
| Ala 540 | Glu 540 | engineered mutation |
| Ala 542 | Glu 542 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 63250.8 | |
| Non-Polymers* | Number of molecules | 13 |
| Total formula weight | 1688.5 | |
| All* | Total formula weight | 64939.3 |
