UniProt O75460
Serine/threonine-protein kinase/endoribonuclease IRE1 (O75460)
Serine/threonine-protein kinase/endoribonuclease IRE1 (UniProt O75460), EC 2.7.11.1, 3.1.26.-: 32 experimental structures and 1 predicted model on GenesisL1, 15 ligands bound, 23 pockets. Binding sites, druggability and…
- UniProt
- O75460
- Protein
- Serine/threonine-protein kinase/endoribonuclease IRE1
- EC
- 2.7.11.1, 3.1.26.-
- Experimental structures
- 32
- Predicted models
- 1
- Ligands
- 15
- Pockets
- 23 · 2 records with a druggable one
Structures
33 records of O75460 in the MolNFT archive: 32 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 3P23 | Crystal structure of the Human kinase and RNase domains in complex with ADP | x-ray diffraction | A, B, C, D | — | — |
| 3P23 | Crystal structure of the human kinase and RNase domains in complex with ADP | x-ray diffraction | A, B, C, D | — | — |
| 4U6R | Crystal structure of human IRE1 cytoplasmic domains in complex with a sulfonamide inhibitor. | x-ray diffraction | A | — | — |
| 4U6R | Crystal structure of human IRE1 cytoplasmic domains in complex with a sulfonamide inhibitor. | x-ray diffraction | A | — | — |
| 4YZ9 | Crystal Structure of human phosphorylated IRE1alpha in complex with a type III kinase inhibitor… | x-ray diffraction | A, B, C | — | — |
| 4YZ9 | Crystal structure of human phosphorylated IRE1ALPHA in complex with a type III kinase inhibitor… | x-ray diffraction | A, B, C | — | — |
| 4YZC | Crystal structure of pIRE1alpha in complex with staurosporine | x-ray diffraction | A, B | — | — |
| 4YZC | Crystal structure of PIRE1ALPHA in complex with staurosporine | x-ray diffraction | A, B | — | — |
| 4YZD | Crystal Structure of human phosphorylated IRE1alpha in complex with ADP-Mg | x-ray diffraction | A, B, C | — | — |
| 4YZD | Crystal structure of human phosphorylated IRE1ALPHA in complex with ADP-mg | x-ray diffraction | A, B, C | — | — |
| 4Z7G | Crystal structure of human IRE1 cytoplasmic kinase-RNase region - apo | x-ray diffraction | A, B | — | — |
| 4Z7G | Crystal structure of human IRE1 cytoplasmic kinase-RNase region - apo | x-ray diffraction | A, B | — | — |
| 4Z7H | Crystal structure of human IRE1 cytoplasmic kinase-RNase region - complex with imidazopyridine… | x-ray diffraction | A, B | — | — |
| 4Z7H | Crystal structure of human IRE1 cytoplasmic kinase-RNase region - complex with imidazopyridine… | x-ray diffraction | A, B | — | — |
| 5HGI | Crystal structure of apo human IRE1 alpha | x-ray diffraction | A | CS, NA, CL | — |
| 5HGI | Crystal structure of apo human IRE1 alpha | x-ray diffraction | A | — | — |
| 6HV0 | IRE1 KINASE/RNASE in complex with IMIDAZO[1,2-B]PYRIDAZIN-8-amine compound 33 | x-ray diffraction | A | GUK | — |
| 6HX1 | IRE1 alpha in complex with IMIDAZO[1,2-B]PYRIDAZIN-8-amine compound 2 | x-ray diffraction | A | GXK | — |
| 6SHC | Crystal structure of human IRE1 luminal domain Q105C | x-ray diffraction | A | — | — |
| 6URC | Crystal structure of IRE1A in complex with compound 18 | x-ray diffraction | A, B | QFV | — |
| 6W39 | Structure of unphosphorylated IRE1 in complex with G-1749 | x-ray diffraction | A, B | SJG | — |
| 6W3A | Structure of unphosphorylated IRE1 in complex with G-7658 | x-ray diffraction | A, B | SJM | — |
| 6W3B | Structure of apo unphosphorylated IRE1 | x-ray diffraction | A | — | — |
| 6W3C | Structure of phosphorylated apo IRE1 | x-ray diffraction | A, B, C, D | — | 19 (best 0.77) |
| 6W3C | Structure of phosphorylated apo IRE1 | x-ray diffraction | A, B, C, D | — | — |
| 6W3E | Structure of phosphorylated IRE1 in complex with G-0701 | x-ray diffraction | A, B | SJV | — |
| 6W3K | Structure of unphosphorylated human IRE1 bound to G-9807 | x-ray diffraction | A | SJS | — |
| 6XDB | Crystal structure of IRE1A in complex with G-6904 | x-ray diffraction | A | N8S | — |
| 6XDD | Crystal structure of IRE1 in complex with G-3053 | x-ray diffraction | A, B | N97 | — |
| 6XDF | Crystal structure of IRE1A in complex with G-4100 | x-ray diffraction | A, B | NA, N94 | — |
| 7BMK | ATP-competitive partial antagonists-'PAIR'S-rheostatically modulate IRE1ALPHA'S kinase helix-alphac… | x-ray diffraction | A, B | U4N | — |
| 8UVL | Crystal structure of selective IRE1a inhibitor 29 at the enzyme active site | x-ray diffraction | A | XOE | 4 (best 0.73) |
| O75460 | AlphaFold monomer V2.0 prediction for SERINE/THREONINE-protein KINASE/ENDORIBONUCLEASE IRE1 (O75460) | predicted | A | — | — |
Ligands
- NA · Sodium ion · in 2 records
- CL · Chloride ion · in 1 record
- CS · Cesium ion · in 1 record
- GUK · 6-chloranyl-3-(2~{H}-indazol-5-yl)-~{N}-propan-2-yl-imidazo[1,2-b]pyridazin-8-amine · in 1 record
- GXK · 6-chloranyl-~{N}-(cyclopropylmethyl)-3-(2~{H}-indazol-5-yl)imidazo[1,2-b]pyridazin-8-amine · in 1 record
- N8S · 4-amino-N-(6-chloro-2-fluoro-3-{[(2-fluorophenyl) sulfonyl]amino}phenyl)-6-(1,3-dimethyl-1H-pyrazol-4-yl)quinazoline-8-carboxamide · in 1 record
- N94 · 4-amino-N-(6-chloro-2-fluoro-3-{[(pyrrolidin-1-yl) sulfonyl]amino}phenyl)quinazoline-8-carboxamide · in 1 record
- N97 · 4-[(trans-4-aminocyclohexyl)amino]-N-(6-chloro-3-{[(2, 5-difluorophenyl)sulfonyl]amino}-2-fluorophenyl) thieno[3,2-d]pyrimidine-7-carboxamide · in 1 record
- QFV · 2-chloro-N-(6-methyl-5-{[3-(2-{[(3S)-piperidin-3-yl]amino}pyrimidin-4-yl)pyridin-2-yl]oxy}naphthalen-1-yl)benzene-1-sulfonamide · in 1 record
- SJG · Ethyl ~{N}-[6-methyl-5-[3-[2-[[(3~{S})-piperidin-3-yl]amino]pyrimidin-4-yl]pyridin-2-yl]oxy-naphthalen-1-yl]carbamate · in 1 record
- SJM · ~{N}-[6-methyl-5-[3-[2-[[(3~{S})-piperidin-3-yl]amino]pyrimidin-4-yl]pyridin-2-yl]oxy-naphthalen-1-yl]but-2-ynamide · in 1 record
- SJS · 4-[5-[2,6-bis(fluoranyl)phenyl]-2~{H}-pyrazolo[3,4-b]pyridin-3-yl]-2-(4-oxidanylpiperidin-1-yl)-1~{H}-pyrimidin-6-one · in 1 record
- SJV · Methyl ~{N}-[6-methyl-5-[3-[2-[[(3~{S})-piperidin-3-yl]amino]pyrimidin-4-yl]pyridin-2-yl]oxy-naphthalen-1-yl]carbamate · in 1 record
- U4N · 2,2,2-tris(fluoranyl)-~{N}-[4-[3-[2-[[(3~{S})-piperidin-3-yl]amino]pyrimidin-4-yl]pyridin-2-yl]oxynaphthalen-1-yl]ethanesulfonamide · in 1 record
- XOE · 1-phenyl-N-(2,3,6-trifluoro-4-{[(3M)-3-(2-{[(3R,5R)-5-fluoropiperidin-3-yl]amino}pyrimidin-4-yl)pyridin-2-yl]oxy}phenyl)methanesulfonamide · in 1 record
Experiment against prediction
- 4Z7H chain A against the predicted model O75460: TM-score 0.99, RMSD 0.60 Å
- 4Z7H chain A against the predicted model O75460: TM-score 0.99, RMSD 0.60 Å
- 4Z7G chain A against the predicted model O75460: TM-score 0.99, RMSD 0.62 Å
- 4Z7G chain A against the predicted model O75460: TM-score 0.99, RMSD 0.62 Å
- 4Z7H chain B against the predicted model O75460: TM-score 0.99, RMSD 0.76 Å
- 4Z7H chain B against the predicted model O75460: TM-score 0.99, RMSD 0.76 Å
- 6XDF chain B against the predicted model O75460: TM-score 0.99, RMSD 0.83 Å
- 6W3C chain A against the predicted model O75460: TM-score 0.99, RMSD 0.85 Å
- 6W3C chain A against the predicted model O75460: TM-score 0.99, RMSD 0.85 Å
- 6W3K chain A against the predicted model O75460: TM-score 0.99, RMSD 1.02 Å
Elsewhere
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.