UniProt O15111
Inhibitor of nuclear factor kappa-B kinase subunit alpha (O15111)
Inhibitor of nuclear factor kappa-B kinase subunit alpha (UniProt O15111), EC 2.7.11.10: 10 experimental structures and 1 predicted model on GenesisL1, 9 ligands bound, 36 pockets. Binding sites, druggability and experiment…
- UniProt
- O15111
- Protein
- Inhibitor of nuclear factor kappa-B kinase subunit alpha
- EC
- 2.7.11.10
- Experimental structures
- 10
- Predicted models
- 1
- Ligands
- 9
- Pockets
- 36 · 3 records with a druggable one
Structures
11 records of O15111 in the MolNFT archive: 10 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 3BRT | NEMO/IKK association domain structure | x-ray diffraction | A, C | — | — |
| 3BRT | NEMO/IKK association domain structure | x-ray diffraction | A, C | — | — |
| 5EBZ | Crystal structure of human IKK1 | x-ray diffraction | A, B, C, D, E, F, G, H, I, J, K, L | GLC, 5LS, PDX, 5TJ, 5TM, 5TH | — |
| 5EBZ | Crystal structure of human IKK1 | x-ray diffraction | A, B, C, D, E, F, G, H, I, J, K, L | — | — |
| 5TQW | CryoEM reconstruction of human IKK1, open conformation 1 | electron microscopy | A, B | — | 13 (best 0.75) |
| 5TQW | Cryoem reconstruction of human IKK1, open conformation 1 | electron microscopy | A, B | — | — |
| 5TQX | CryoEM reconstruction of human IKK1, intermediate conformation 2 | electron microscopy | A, B | — | 12 (best 0.70) |
| 5TQX | Cryoem reconstruction of human IKK1, intermediate conformation 2 | electron microscopy | A, B | — | — |
| 5TQY | CryoEM reconstruction of human IKK1, closed conformation 3 | electron microscopy | A, B | — | — |
| 5TQY | Cryoem reconstruction of human IKK1, closed conformation 3 | electron microscopy | A, B | — | — |
| O15111 | AlphaFold monomer V2.0 prediction for inhibitor of nuclear factor kappa-B kinase subunit alpha… | predicted | A | — | 11 (best 0.78) |
Ligands
- 5LS · 2,4-di-O-sulfo-alpha-D-glucopyranose · in 1 record
- 5TH · [(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-2,4-bis(oxidanyl)-5-oxidanylsulfanyloxy-oxan-3-yl] hydrogen sulfate · in 1 record
- 5TJ · [(2R,3R,4R,5R,6S)-2-(hydroxymethyl)-5,6-bis(oxidanyl)-3-oxidanylsulfanyloxy-oxan-4-yl] hydrogen sulfate · in 1 record
- 5TK · (2S,3R,4R,5S,6R)-6-(hydroxymethyl)-5-oxidanylsulfanyloxy-oxane-2,3,4-triol · in 1 record
- 5TL · 2-azanyl-5-phenyl-3-(4-sulfamoylphenyl)benzamide · in 1 record
- 5TM · [(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-2,5-bis(oxidanyl)-4-oxidanylsulfanyloxy-oxan-3-yl] hydrogen sulfate · in 1 record
- GLC · alpha-D-glucopyranose · in 1 record
- PDX · 2,3-di-O-sulfo-alpha-D-glucopyranose · in 1 record
- Z4K · 2-O-sulfo-alpha-D-glucopyranose · in 1 record
Experiment against prediction
- 5TQY chain A against the predicted model O15111: TM-score 0.97, RMSD 1.55 Å
- 5TQY chain A against the predicted model O15111: TM-score 0.97, RMSD 1.55 Å
- 5TQW chain A against the predicted model O15111: TM-score 0.96, RMSD 1.74 Å
- 5TQW chain A against the predicted model O15111: TM-score 0.96, RMSD 1.74 Å
- 5TQX chain A against the predicted model O15111: TM-score 0.96, RMSD 1.83 Å
- 5TQX chain A against the predicted model O15111: TM-score 0.96, RMSD 1.83 Å
- 5EBZ chain A against the predicted model O15111: TM-score 0.95, RMSD 2.19 Å
- 5EBZ chain A against the predicted model O15111: TM-score 0.95, RMSD 2.19 Å
- 3BRT chain A against the predicted model O15111: TM-score 0.77, RMSD 1.40 Å
- 3BRT chain A against the predicted model O15111: TM-score 0.77, RMSD 1.40 Å
Elsewhere
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