UniProt P00520
Proto-oncogene tyrosine-protein kinase ABL1 (P00520)
Proto-oncogene tyrosine-protein kinase ABL1 (UniProt P00520), EC 2.7.1.112, 2.7.10.2: 44 experimental structures and 1 predicted model on GenesisL1, 9 ligands bound, 40 pockets. Binding sites, druggability and experiment against…
- UniProt
- P00520
- Protein
- Proto-oncogene tyrosine-protein kinase ABL1
- EC
- 2.7.1.112, 2.7.10.2
- Experimental structures
- 44
- Predicted models
- 1
- Ligands
- 9
- Pockets
- 40 · 6 records with a druggable one
Structures
45 records of P00520 in the MolNFT archive: 44 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 1ABO | Crystal structure of the complex of the abl tyrosine kinase SH3 domain with 3BP-1 synthetic peptide | x-ray diffraction | A, B | SO4 | 1 (best 0.36) |
| 1ABO | Crystal structure of the complex of the abl tyrosine kinase SH3 domain with 3BP-1 synthetic peptide | x-ray diffraction | A, B | — | — |
| 1ABQ | Crystal structure of the unliganded abl tyrosine kinase SH3 domain | x-ray diffraction | A | — | — |
| 1ABQ | Crystal structure of the unliganded abl tyrosine kinase SH3 domain | x-ray diffraction | A | — | — |
| 1FPU | Crystal structure of abl kinase domain in complex with a small molecule inhibitor | x-ray diffraction | A, B | PRC | 7 (best 0.75) |
| 1FPU | Crystal structure of abl kinase domain in complex with a small molecule inhibitor | x-ray diffraction | A, B | — | — |
| 1IEP | Crystal structure of the C-abl kinase domain in complex with sti-571. | x-ray diffraction | A, B | CL, STI | 6 (best 0.75) |
| 1IEP | Crystal structure of the C-abl kinase domain in complex with sti-571. | x-ray diffraction | A, B | — | — |
| 1M52 | Crystal Structure of the c-Abl Kinase domain in complex with PD173955 | x-ray diffraction | A, B | P17 | 6 (best 0.74) |
| 1M52 | Crystal structure of the C-abl kinase domain in complex with PD173955 | x-ray diffraction | A, B | — | — |
| 1OPJ | Structural basis for the auto-inhibition of c-Abl tyrosine kinase | x-ray diffraction | A, B | CL, MYR, STI | 6 (best 0.82) |
| 1OPJ | Structural basis for the auto-inhibition of C-abl tyrosine kinase | x-ray diffraction | A, B | — | — |
| 1OPK | Structural basis for the auto-inhibition of c-Abl tyrosine kinase | x-ray diffraction | A | MYR, P16 | 7 (best 0.75) |
| 1OPK | Structural basis for the auto-inhibition of C-abl tyrosine kinase | x-ray diffraction | A | — | — |
| 2QOH | Crystal Structure of Abl kinase bound with PPY-A | x-ray diffraction | A, B | — | — |
| 2QOH | Crystal structure of abl kinase bound with ppy-a | x-ray diffraction | A, B | — | — |
| 2Z60 | Crystal Structure of the T315I Mutant of Abl kinase bound with PPY-A | x-ray diffraction | A | — | — |
| 2Z60 | Crystal structure of the T315I mutant of abl kinase bound with ppy-a | x-ray diffraction | A | — | — |
| 3DK3 | Crystal structure of mutant ABL kinase domain in complex with small molecule fragment | x-ray diffraction | A, B | — | — |
| 3DK3 | Crystal structure of mutant abl kinase domain in complex with small molecule fragment | x-ray diffraction | A, B | — | — |
| 3DK6 | Crystal structure of mutant ABL kinase domain in complex with small molecule fragment | x-ray diffraction | A, B | — | — |
| 3DK6 | Crystal structure of mutant abl kinase domain in complex with small molecule fragment | x-ray diffraction | A, B | — | — |
| 3DK7 | Crystal structure of mutant ABL kinase domain in complex with small molecule fragment | x-ray diffraction | A, B | — | — |
| 3DK7 | Crystal structure of mutant abl kinase domain in complex with small molecule fragment | x-ray diffraction | A, B | — | — |
| 3IK3 | AP24534, a Pan-BCR-ABL Inhibitor for Chronic Myeloid Leukemia, Potently Inhibits the T315I Mutant… | x-ray diffraction | A, B | — | — |
| 3IK3 | AP24534, a pan-BCR-abl inhibitor for chronic myeloid leukemia, potently inhibits the T315I mutant… | x-ray diffraction | A, B | — | — |
| 3K5V | Structure of Abl kinase in complex with imatinib and GNF-2 | x-ray diffraction | A, B | — | — |
| 3K5V | Structure of abl kinase in complex with imatinib and gnf-2 | x-ray diffraction | A, B | — | — |
| 3KF4 | Structural analysis of DFG-in and DFG-out dual Src-Abl inhibitors sharing a common vinyl purine… | x-ray diffraction | A, B | — | — |
| 3KF4 | Structural analysis of dfg-in and dfg-out dual src-abl inhibitors sharing a common vinyl purine… | x-ray diffraction | A, B | — | — |
| 3KFA | Structural analysis of DFG-in and DFG-out dual Src-Abl inhibitors sharing a common vinyl purine… | x-ray diffraction | A, B | — | — |
| 3KFA | Structural analysis of dfg-in and dfg-out dual src-abl inhibitors sharing a common vinyl purine… | x-ray diffraction | A, B | — | — |
| 3MS9 | ABL kinase in complex with imatinib and a fragment (FRAG1) in the myristate pocket | x-ray diffraction | A, B | — | — |
| 3MS9 | Abl kinase in complex with imatinib and a fragment (FRAG1) in the myristate pocket | x-ray diffraction | A, B | — | — |
| 3MSS | Abl kinase in complex with imatinib and fragment (FRAG2) in the myristate site | x-ray diffraction | A, B, C, D | — | — |
| 3MSS | Abl kinase in complex with imatinib and fragment (FRAG2) in the myristate site | x-ray diffraction | A, B, C, D | — | — |
| 3OXZ | Crystal structure of ABL kinase domain bound with a DFG-out inhibitor AP24534 | x-ray diffraction | A | — | — |
| 3OXZ | Crystal structure of abl kinase domain bound with a dfg-out inhibitor AP24534 | x-ray diffraction | A | — | — |
| 3OY3 | Crystal structure of ABL T315I mutant kinase domain bound with a DFG-out inhibitor AP24589 | x-ray diffraction | A, B | — | — |
| 3OY3 | Crystal structure of abl T315I mutant kinase domain bound with a dfg- out inhibitor AP24589 | x-ray diffraction | A, B | — | — |
| 6HD4 | ABL1 in complex with compound 7 and imatinib (sti-571) | x-ray diffraction | A, B | CL, FYW, STI | — |
| 6HD4 | ABL1 in complex with compound 7 and imatinib (sti-571) | x-ray diffraction | A, B | CL, FYW, STI | — |
| 6HD6 | ABL1 in complex with COMPOUND6 and imatinib (sti-571) | x-ray diffraction | A, B | CL, FYH, STI | 7 (best 0.78) |
| 6HD6 | ABL1 in complex with COMPOUND6 and imatinib (sti-571) | x-ray diffraction | A, B | CL, FYH, STI | — |
| P00520 | AlphaFold monomer V2.0 prediction for tyrosine-protein kinase ABL1 (P00520) | predicted | A | — | — |
Ligands
- CL · Chloride ion · in 6 records
- STI · 4-(4-methyl-piperazin-1-ylmethyl)-N-[4-methyl-3-(4-pyridin-3-yl-pyrimidin-2-ylamino)-phenyl]-benzamide · in 6 records
- FYH · 3-(morpholin-4-ylmethyl)-~{N}-[4-(trifluoromethyloxy) phenyl]benzamide · in 2 records
- FYW · 6-[(3~{R})-3-oxidanylpyrrolidin-1-yl]-5-pyrimidin-5-yl-~{N}-[4-(trifluoromethyloxy)phenyl]pyridine-3-carboxamide · in 2 records
- MYR · Myristic acid · in 2 records
- P16 · 6-(2,6-dichlorophenyl)-2-{[3-(hydroxymethyl)phenyl]amino}-8-methylpyrido[2,3-d]pyrimidin-7(8H)-one · in 1 record
- P17 · 6-(2,6-dichloro-phenyl)-8-methyl-2-(3-methylsulfanyl-phenylamino)-8H-pyrido[2,3-d]pyrimidin-7-one · in 1 record
- PRC · N-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]-3-pyridinecarboxamide · in 1 record
- SO4 · Sulfate ion · in 1 record
Experiment against prediction
- 1OPK chain A against the predicted model P00520: TM-score 0.99, RMSD 1.08 Å
- 1OPK chain A against the predicted model P00520: TM-score 0.99, RMSD 1.08 Å
- 3DK6 chain A against the predicted model P00520: TM-score 0.96, RMSD 1.43 Å
- 3DK6 chain A against the predicted model P00520: TM-score 0.96, RMSD 1.43 Å
- 3DK6 chain B against the predicted model P00520: TM-score 0.96, RMSD 1.43 Å
- 3DK6 chain B against the predicted model P00520: TM-score 0.96, RMSD 1.43 Å
- 1M52 chain A against the predicted model P00520: TM-score 0.96, RMSD 1.46 Å
- 1M52 chain A against the predicted model P00520: TM-score 0.96, RMSD 1.46 Å
- 3DK7 chain A against the predicted model P00520: TM-score 0.96, RMSD 1.51 Å
- 3DK7 chain A against the predicted model P00520: TM-score 0.96, RMSD 1.51 Å
Elsewhere
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