UniProt Q13191
E3 ubiquitin-protein ligase CBL-B (Q13191)
E3 ubiquitin-protein ligase CBL-B (UniProt Q13191), EC 2.3.2.27: 31 experimental structures and 1 predicted model on GenesisL1, 15 ligands bound, 43 pockets. Binding sites, druggability and experiment against prediction…
- UniProt
- Q13191
- Protein
- E3 ubiquitin-protein ligase CBL-B
- EC
- 2.3.2.27
- Experimental structures
- 31
- Predicted models
- 1
- Ligands
- 15
- Pockets
- 43 · 8 records with a druggable one
Structures
32 records of Q13191 in the MolNFT archive: 31 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 2AK5 | beta PIX-SH3 complexed with a Cbl-b peptide | x-ray diffraction | D | — | — |
| 2AK5 | Beta pix-SH3 complexed with a cbl-B peptide | x-ray diffraction | D | — | — |
| 2BZ8 | N-terminal Sh3 domain of CIN85 bound to Cbl-b peptide | x-ray diffraction | C | — | — |
| 2BZ8 | N-terminal SH3 domain of CIN85 bound to cbl-B peptide | x-ray diffraction | C | — | — |
| 2DO6 | Solution structure of RSGI RUH-065, a UBA domain from human cDNA | solution nmr | A, B | — | — |
| 2DO6 | Solution structure of rsgi ruh-065, a uba domain from human cdna | solution nmr | A, B | — | — |
| 2J6F | N-terminal SH3 domain of cms (CD2AP human homolog) bound to cbl-B peptide | x-ray diffraction | C | — | — |
| 2J6F | N-terminal SH3 domain of cms (CD2AP human homolog) bound to cbl-B peptide | x-ray diffraction | C | — | — |
| 2JNH | Solution Structure of the UBA Domain from Cbl-b | solution nmr | A | — | — |
| 2JNH | Solution structure of the uba domain from cbl-B | solution nmr | A | — | — |
| 2LDR | Solution structure of Helix-RING domain of Cbl-b in the Tyr363 phosphorylated form | solution nmr | A | — | — |
| 2LDR | Solution structure of helix-ring domain of cbl-B in the TYR363 phosphorylated form | solution nmr | A | — | — |
| 2OOA | crystal structure of the UBA domain from Cbl-b ubiquitin ligase | x-ray diffraction | A, B | — | — |
| 2OOA | Crystal structure of the uba domain from cbl-B ubiquitin ligase | x-ray diffraction | A, B | — | — |
| 2OOB | crystal structure of the UBA domain from Cbl-b ubiquitin ligase in complex with ubiquitin | x-ray diffraction | A | — | — |
| 2OOB | Crystal structure of the uba domain from cbl-B ubiquitin ligase in complex with ubiquitin | x-ray diffraction | A | — | — |
| 3PFV | Crystal structure of Cbl-b TKB domain in complex with EGFR pY1069 peptide | x-ray diffraction | A, B | — | — |
| 3PFV | Crystal structure of cbl-B tkb domain in complex with EGFR PY1069 peptide | x-ray diffraction | A, B | — | — |
| 3VGO | Crystal structure of the N-terminal fragment of Cbl-b | x-ray diffraction | A, B, C | — | — |
| 3VGO | Crystal structure of the N-terminal fragment of cbl-B | x-ray diffraction | A, B, C | — | — |
| 3ZNI | Structure of phosphoTyr363-Cbl-b - UbcH5B-Ub - ZAP-70 peptide complex | x-ray diffraction | A, E, I, M | — | — |
| 3ZNI | Structure of PHOSPHOTYR363-cbl-B - UBCH5B-ub - zap-70 peptide complex | x-ray diffraction | A, E, I, M | — | — |
| 8GCY | Co-crystal structure of CBL-B in complex with N-Aryl isoindolin-1-one inhibitor | x-ray diffraction | A | ZN, Z3N, SO4, UNX | — |
| 8QNG | Crystal structure of the E3 ubiquitin ligase Cbl-b with an allosteric inhibitor (benzodiazepine HTS… | x-ray diffraction | A | W89, ZN, NA | 3 (best 0.78) |
| 8QTG | Crystal structure of CBL-b in complex with an allosteric inhibitor (compound 9) | x-ray diffraction | A | WUQ, ZN, NA | 4 (best 0.75) |
| 8QTH | Crystal structure of CBL-b in complex with an allosteric inhibitor (compound 8) | x-ray diffraction | A | WX0, ZN, NA | 4 (best 0.75) |
| 8QTK | Crystal structure of CBL-b in complex with an allosteric inhibitor (compound 31) | x-ray diffraction | A | ZN, NA, WX9 | 4 (best 0.75) |
| 8VW4 | Crystal structure of Cbl-b TKB bound to compound 26 | x-ray diffraction | A, B | MG, A1AEG | 7 (best 0.82) |
| 8VW5 | Crystal structure of Cbl-b TKB bound to compound 2 | x-ray diffraction | A, B | MG, CA, A1AD4 | 9 (best 0.72) |
| 9FQI | E3 ligase Cbl-b in complex with a lactam scaffold inhibitor (compound 7) | x-ray diffraction | A | A1IEV, ZN, NA | 4 (best 0.77) |
| 9FQJ | E3 ligase Cbl-b in complex with a carbamate scaffold inhibitor (compound 12) | x-ray diffraction | A, B | A1IE5, ZN, NA | 8 (best 0.77) |
| Q13191 | AlphaFold monomer V2.0 prediction for E3 ubiquitin-protein ligase cbl-B (Q13191) | predicted | A | — | — |
Ligands
- ZN · Zinc ion · in 7 records
- NA · Sodium ion · in 6 records
- MG · Magnesium ion · in 2 records
- A1AD4 · [5-(2-{(2R,5S)-2-[2-(carboxymethoxy)-3-methoxy-5-nitrophenyl]-3,5-dimethyl-4-oxoimidazolidin-1-yl}-2-oxoethyl)-3,6-dimethoxy-9,9-dimethyl-9H-xanthen-4-yl]acetic acid · in 1 record
- A1AEG · (7-methoxy-2-{2-[(1S,3S,4S)-3-(3-methoxy-2-methyl-5-nitrophenyl)-1-methyl-5-oxo-1,5-dihydroimidazo[1,5-a]pyridin-2(3H)-yl]-2-oxoethoxy}quinolin-8-yl)acetic acid · in 1 record
- A1IE5 · 2-cyclopropyl-6-methyl-~{N}-[3-[(6~{S})-6-methyl-2-oxidanylidene-1,3-oxazinan-6-yl]phenyl]pyrimidine-4-carboxamide · in 1 record
- A1IEV · 8-[3-[(4~{R})-4-methyl-2-oxidanylidene-piperidin-4-yl]phenyl]-3-[[(3~{S})-3-methylpiperidin-1-yl]methyl]-5-(trifluoromethyl)-1$l^{4},7,8-triazabicyclo[4.3.0]nona-1(6),2,4-trien-9-one · in 1 record
- CA · Calcium ion · in 1 record
- SO4 · Sulfate ion · in 1 record
- UNX · Unknown atom or ion · in 1 record
- W89 · 2-(morpholin-4-ylmethyl)-~{N}-[(3~{S})-2-oxidanylidene-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]benzamide · in 1 record
- WUQ · 3-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-5-(trifluoromethyl)-1~{H}-pyridin-2-one · in 1 record
- WX0 · 1-methyl-5-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-3-(trifluoromethyl)-7H-pyrrolo[2,3-b]pyridin-6-one · in 1 record
- WX9 · 3-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-1-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]-5-(trifluoromethyl)pyridin-2-one · in 1 record
- Z3N · 2-{3-[(1s,3R)-3-methyl-1-(4-methyl-4H-1,2,4-triazol-3-yl)cyclobutyl]phenyl}-6-{[(3S)-3-methylpiperidin-1-yl]methyl}-4-(trifluoromethyl)-2,3-dihydro-1H-isoindol-1-one · in 1 record
Experiment against prediction
- 3PFV chain A against the predicted model Q13191: TM-score 0.99, RMSD 0.76 Å
- 3PFV chain A against the predicted model Q13191: TM-score 0.99, RMSD 0.76 Å
- 3PFV chain B against the predicted model Q13191: TM-score 0.98, RMSD 0.90 Å
- 3PFV chain B against the predicted model Q13191: TM-score 0.98, RMSD 0.90 Å
- 3ZNI chain A against the predicted model Q13191: TM-score 0.98, RMSD 1.09 Å
- 3ZNI chain A against the predicted model Q13191: TM-score 0.98, RMSD 1.09 Å
- 3ZNI chain M against the predicted model Q13191: TM-score 0.97, RMSD 1.20 Å
- 3ZNI chain M against the predicted model Q13191: TM-score 0.97, RMSD 1.20 Å
- 3ZNI chain I against the predicted model Q13191: TM-score 0.97, RMSD 1.24 Å
- 3ZNI chain I against the predicted model Q13191: TM-score 0.97, RMSD 1.24 Å
Elsewhere
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