3IK3: Proto-oncogene tyrosine-protein kinase ABL1

AP24534, a Pan-BCR-ABL Inhibitor for Chronic Myeloid Leukemia, Potently Inhibits the T315I Mutant and Overcomes Mutation-Based Resistance. Determined by X-ray diffraction at 1.9 Å resolution. Released 3 Nov 2009.

Method: X-ray diffraction
Resolution: 1.9 Å
Organism: Mus musculus
Chains: 2
Atoms: 5,137
Mol. weight: 67.57 kDa
Ligands: 0LI
Released: 3 Nov 2009

Explore 3IK3 in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

3IK3 contains 39 α-helices and 24 β-strands across 2 chains. Residue ranges use author residue numbering, as in the PDB file, from PDBe. To see them in 3D, choose the Cartoon representation with Secondary structure coloring: helices, sheets and coils get different colors.

Chain A: 19 helices, 12 β-strands

Element	Residues	Length	Sheet
β-strand	236	1	1
α-helix	239-241	3
β-strand	242-247	6	1
α-helix	248-251	4
β-strand	256-261	6	1
α-helix	262-264	3
β-strand	267-273	7	1
α-helix	280-291	12
β-strand	298	1	2
β-strand	301-305	5	1
β-strand	311-316	6	1
α-helix	317-318	2
β-strand	322	1	2
α-helix	323-329	7
α-helix	337-356	20
α-helix	366-368	3
β-strand	369-371	3	2
α-helix	373-375	3
β-strand	377-379	3	2
β-strand	394-396	3	3
β-strand	399-401	3	3
α-helix	403-405	3
α-helix	408-413	6
α-helix	418-433	16
α-helix	437-438	2
α-helix	445-453	9
α-helix	458-461	4
α-helix	466-475	10
α-helix	480-482	3
α-helix	484-485	2
α-helix	486-511	26

Chain B: 20 helices, 12 β-strands

Element	Residues	Length	Sheet
β-strand	236	1	4
α-helix	239-241	3
β-strand	242-247	6	4
α-helix	248-251	4
β-strand	256-261	6	4
α-helix	262-264	3
β-strand	266-273	8	4
α-helix	280-291	12
β-strand	298	1	5
β-strand	301-305	5	4
β-strand	311-316	6	4
α-helix	317-318	2
β-strand	322	1	5
α-helix	323-329	7
α-helix	337-356	20
α-helix	366-368	3
β-strand	369-371	3	5
α-helix	373-375	3
β-strand	377-379	3	5
α-helix	384-386	3
β-strand	394-396	3	6
β-strand	399-401	3	6
α-helix	403-405	3
α-helix	408-413	6
α-helix	418-433	16
α-helix	437-438	2
α-helix	445-453	9
α-helix	458-461	4
α-helix	466-475	10
α-helix	480-482	3
α-helix	484-485	2
α-helix	486-511	26

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Proto-oncogene tyrosine-protein kinase ABL1	A, B	protein	288	Mus musculus	P00520 (AlphaFold model)

Sequence of entity 1 (A, B), FASTA

>3IK3_1 Proto-oncogene tyrosine-protein kinase ABL1 (chains A, B)
GSPNYDKWEMERTDITMKHKLGGGQYGEVYEGVWKKYSLTVAVKTLKEDTMEVEEFLKEA
AVMKEIKHPNLVQLLGVCTREPPFYIIIEFMTYGNLLDYLRECNRQEVSAVVLLYMATQI
SSAMEYLEKKNFIHRDLAARNCLVGENHLVKVADFGLSRLMTGDTYTAHAGAKFPIKWTA
PESLAYNKFSIKSDVWAFGVLLWEIATYGMSPYPGIDLSQVYELLEKDYRMERPEGCPEK
VYELMRACWQWNPSDRPSFAEIHQAFETMFQESSISDEVEKELGKRGT

Ligands and cofactors

ID	Name	Formula	Copies
0LI	3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-{4-[(4-methylpiperazin-1-yl)…	C29 H27 F3 N6 O	2

Primary citation

AP24534, a pan-BCR-ABL inhibitor for chronic myeloid leukemia, potently inhibits the T315I mutant and overcomes mutation-based resistance. O'Hare, T., Shakespeare, W.C., Zhu, X. et al. Cancer Cell (2009) 16:401-412. DOI 10.1016/j.ccr.2009.09.028 · PubMed

Other PDB entries of the same protein (UniProt P00520 (AlphaFold model), which also has an AlphaFold model), best resolution first:

3KFA 1.22 Å, Structural analysis of DFG-in and DFG-out dual Src-Abl inhibitors sharing a common vinyl…
3K5V 1.74 Å, Structure of Abl kinase in complex with imatinib and GNF-2
1OPJ 1.75 Å, Structural basis for the auto-inhibition of c-Abl tyrosine kinase
1OPK 1.8 Å, Structural basis for the auto-inhibition of c-Abl tyrosine kinase
3MS9 1.8 Å, ABL kinase in complex with imatinib and a fragment (FRAG1) in the myristate pocket
5IH2 1.8 Å, Structure, thermodynamics, and the role of conformational dynamics in the interactions…
3KF4 1.9 Å, Structural analysis of DFG-in and DFG-out dual Src-Abl inhibitors sharing a common vinyl…
2QOH 1.95 Å, Crystal Structure of Abl kinase bound with PPY-A
2Z60 1.95 Å, Crystal Structure of the T315I Mutant of Abl kinase bound with PPY-A
3MSS 1.95 Å, Abl kinase in complex with imatinib and fragment (FRAG2) in the myristate site
3OY3 1.95 Å, Crystal structure of ABL T315I mutant kinase domain bound with a DFG-out inhibitor AP24589
1ABO 2.0 Å, Crystal structure of the complex of the abl tyrosine kinase SH3 domain with 3BP-1…

Browse structure collections

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