3LJ2
IRE1 complexed with JAK Inhibitor I
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B | Serine/threonine-protein kinase/endoribonuclease IRE1 | polymer | 434 | 50278.3 | 2 | UniProt (P32361) Pfam (PF00069) Pfam (PF06479) In PDB | Saccharomyces cerevisiae (yeast) | Endoplasmic reticulum-to-nucleus signaling 1, Serine/threonine-protein kinase, Endoribonuclease |
| 2 | A, B | 2-TERT-BUTYL-9-FLUORO-3,6-DIHYDRO-7H-BENZ[H]-IMIDAZ[4,5-F]ISOQUINOLINE-7-ONE | non-polymer | 309.3 | 2 | Chemie (IZA) |
Sequence modifications
A, B: 658 - 1115 (UniProt: P32361)
| PDB | External Database | Details |
|---|---|---|
| - | Cys 869 | deletion |
| - | Gln 870 | deletion |
| - | Val 871 | deletion |
| - | Glu 872 | deletion |
| - | Thr 873 | deletion |
| - | Glu 874 | deletion |
| - | His 875 | deletion |
| - | Ser 876 | deletion |
| - | Ser 877 | deletion |
| - | Ser 878 | deletion |
| - | Arg 879 | deletion |
| - | His 880 | deletion |
| - | Thr 881 | deletion |
| - | Val 882 | deletion |
| - | Val 883 | deletion |
| - | Ser 884 | deletion |
| - | Ser 885 | deletion |
| - | Asp 886 | deletion |
| - | Ser 887 | deletion |
| - | Phe 888 | deletion |
| - | Tyr 889 | deletion |
| - | Asp 890 | deletion |
| - | Pro 891 | deletion |
| - | Phe 892 | deletion |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 100556.7 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 618.7 | |
| All* | Total formula weight | 101175.3 |
