UniProt P32361
Serine/threonine-protein kinase/endoribonuclease IRE1 (P32361)
Serine/threonine-protein kinase/endoribonuclease IRE1 (UniProt P32361), EC 2.7.11.1, 3.1.26.-: 16 experimental structures and 1 predicted model on GenesisL1, 7 ligands bound, 227 pockets. Binding sites, druggability and…
- UniProt
- P32361
- Protein
- Serine/threonine-protein kinase/endoribonuclease IRE1
- EC
- 2.7.11.1, 3.1.26.-
- Experimental structures
- 16
- Predicted models
- 1
- Ligands
- 7
- Pockets
- 227 · 17 records with a druggable one
Structures
17 records of P32361 in the MolNFT archive: 16 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 2BE1 | Structure of the compact lumenal domain of yeast Ire1 | x-ray diffraction | A, B | — | 8 (best 0.69) |
| 2BE1 | Structure of the compact lumenal domain of yeast IRE1 | x-ray diffraction | A, B | — | 8 (best 0.69) |
| 2RIO | Structure of the dual enzyme Ire1 reveals the basis for catalysis and regulation of… | x-ray diffraction | A, B | MG, SR, ADP | 13 (best 0.79) |
| 2RIO | Structure of the dual enzyme IRE1 reveals the basis for catalysis and regulation of… | x-ray diffraction | A, B | MG, SR, ADP | 13 (best 0.79) |
| 3FBV | Crystal structure of the oligomer formed by the kinase-ribonuclease domain of Ire1 | x-ray diffraction | A, B, C, D, E, F, G, H, I, J, K, L, M, N | APJ | 20 (best 0.81) |
| 3FBV | Crystal structure of the oligomer formed by the kinase-ribonuclease domain of IRE1 | x-ray diffraction | A, B, C, D, E, F, G, H, I, J, K, L, M, N | APJ | 20 (best 0.81) |
| 3LJ0 | IRE1 complexed with ADP and Quercetin | x-ray diffraction | A, B | MG, SR, ADP, QUE | 12 (best 0.79) |
| 3LJ0 | IRE1 complexed with ADP and quercetin | x-ray diffraction | A, B | MG, SR, ADP, QUE | 12 (best 0.79) |
| 3LJ1 | IRE1 complexed with Cdk1/2 Inhibitor III | x-ray diffraction | A, B | DKI | 6 (best 0.74) |
| 3LJ1 | IRE1 complexed with CDK1/2 inhibitor III | x-ray diffraction | A, B | DKI | 6 (best 0.74) |
| 3LJ2 | IRE1 complexed with JAK Inhibitor I | x-ray diffraction | A, B | IZA | 8 (best 0.70) |
| 3LJ2 | IRE1 complexed with JAK inhibitor I | x-ray diffraction | A, B | IZA | 8 (best 0.70) |
| 3SDJ | Structure of RNase-inactive point mutant of oligomeric kinase/RNase Ire1 | x-ray diffraction | A, B, C, D, E, F, G, H, I, J, K, L, M, N | APJ | 20 (best 0.81) |
| 3SDJ | Structure of RNase-inactive point mutant of oligomeric KINASE/RNASE IRE1 | x-ray diffraction | A, B, C, D, E, F, G, H, I, J, K, L, M, N | APJ | 20 (best 0.81) |
| 3SDM | Structure of oligomeric kinase/RNase Ire1 in complex with an oligonucleotide | x-ray diffraction | A, B, C, D, E, F, G | — | 20 (best 0.77) |
| 3SDM | Structure of oligomeric KINASE/RNASE IRE1 in complex with an oligonucleotide | x-ray diffraction | A, B, C, D, E, F, G | — | 20 (best 0.77) |
| P32361 | AlphaFold monomer V2.0 prediction for SERINE/THREONINE-protein KINASE/ENDORIBONUCLEASE IRE1 (P32361) | predicted | A | — | 13 (best 0.76) |
Ligands
- ADP · Adenosine-5'-diphosphate · in 4 records
- APJ · N~2~-1H-benzimidazol-5-yl-N~4~-(3-cyclopropyl-1H-pyrazol-5-yl)pyrimidine-2,4-diamine · in 4 records
- MG · Magnesium ion · in 4 records
- SR · Strontium ion · in 4 records
- DKI · 5-amino-3-{[4-(aminosulfonyl)phenyl]amino}-N-(2,6-difluorophenyl)-1H-1,2,4-triazole-1-carbothioamide · in 2 records
- IZA · 2-tert-butyl-9-fluoro-3,6-dihydro-7H-benz[h]-imidaz[4,5-f]isoquinoline-7-one · in 2 records
- QUE · 3,5,7,3',4'-pentahydroxyflavone · in 2 records
Experiment against prediction
- 3LJ0 chain B against the predicted model P32361: TM-score 0.99, RMSD 0.69 Å
- 3LJ0 chain B against the predicted model P32361: TM-score 0.99, RMSD 0.69 Å
- 3LJ0 chain A against the predicted model P32361: TM-score 0.99, RMSD 0.73 Å
- 3LJ0 chain A against the predicted model P32361: TM-score 0.99, RMSD 0.73 Å
- 2RIO chain B against the predicted model P32361: TM-score 0.99, RMSD 0.77 Å
- 2RIO chain B against the predicted model P32361: TM-score 0.99, RMSD 0.77 Å
- 2RIO chain A against the predicted model P32361: TM-score 0.99, RMSD 0.80 Å
- 2RIO chain A against the predicted model P32361: TM-score 0.99, RMSD 0.80 Å
- 3LJ2 chain A against the predicted model P32361: TM-score 0.99, RMSD 0.99 Å
- 3LJ2 chain A against the predicted model P32361: TM-score 0.99, RMSD 0.99 Å
Elsewhere
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