2QOH: Abl kinase

Crystal Structure of Abl kinase bound with PPY-A. Determined by X-ray diffraction at 1.95 Å resolution. Released 18 Sept 2007.

Method: X-ray diffraction
Resolution: 1.95 Å
Organism: Mus musculus
Chains: 2
Atoms: 4,793
Mol. weight: 67.23 kDa
Ligands: P3Y
Released: 18 Sept 2007

Explore 2QOH in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

2QOH contains 40 α-helices and 28 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: 20 helices, 14 β-strands

Element	Residues	Length	Sheet
β-strand	236	1	1
α-helix	239-241	3
β-strand	242-247	6	1
α-helix	249-251	3
β-strand	256-261	6	1
α-helix	262-264	3
β-strand	266-272	7	1
α-helix	280-292	13
β-strand	298	1	2
α-helix	299-300	2
β-strand	301-305	5	1
α-helix	311	1
β-strand	312-316	5	1
β-strand	322	1	2
α-helix	323-328	6
α-helix	337-356	20
β-strand	359-360	2	3
α-helix	366-368	3
β-strand	369-371	3	2
α-helix	373-375	3
β-strand	377-379	3	2
β-strand	386-387	2	3
β-strand	393-394	2	4
α-helix	403-405	3
α-helix	408-413	6
β-strand	415-416	2	4
α-helix	418-433	16
α-helix	437-438	2
α-helix	448-453	6
α-helix	458-461	4
α-helix	466-475	10
α-helix	480-482	3
α-helix	484-485	2
α-helix	486-499	14

Chain B: 20 helices, 14 β-strands

Element	Residues	Length	Sheet
β-strand	236	1	5
α-helix	239-241	3
β-strand	242-247	6	5
α-helix	249-251	3
β-strand	256-261	6	5
α-helix	262-264	3
β-strand	266-272	7	5
α-helix	280-292	13
β-strand	298	1	6
α-helix	299-300	2
β-strand	301-305	5	5
α-helix	311	1
β-strand	312-316	5	5
β-strand	322	1	6
α-helix	323-329	7
α-helix	337-356	20
β-strand	359-360	2	7
α-helix	366-368	3
β-strand	369-371	3	6
α-helix	373-375	3
β-strand	377-379	3	6
β-strand	386-387	2	7
β-strand	393-394	2	8
α-helix	403-405	3
α-helix	408-413	6
β-strand	415-416	2	8
α-helix	418-433	16
α-helix	437-438	2
α-helix	448-453	6
α-helix	458-461	4
α-helix	466-475	10
α-helix	480-482	3
α-helix	484-485	2
α-helix	486-509	24

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

>2QOH_1 Proto-oncogene tyrosine-protein kinase ABL1 (chains A, B)
GSPNYDKWEMERTDITMKHKLGGGQYGEVYEGVWKKYSLTVAVKTLKEDTMEVEEFLKEA
AVMKEIKHPNLVQLLGVCTREPPFYIITEFMTYGNLLDYLRECNRQEVSAVVLLYMATQI
SSAMEYLEKKNFIHRDLAARNCLVGENHLVKVADFGLSRLMTGDTYTAHAGAKFPIKWTA
PESLAYNKFSIKSDVWAFGVLLWEIATYGMSPYPGIDLSQVYELLEKDYRMERPEGCPEK
VYELMRACWQWNPSDRPSFAEIHQAFETMFQESSISDEVEKELGKRGT

Ligands and cofactors

ID	Name	Formula	Copies
P3Y	5-[3-(2-methoxyphenyl)-1H-PYRROLO[2,3-b]pyridin-5-yl]-n,n-dimethylpyridine-3-ca…	C22 H20 N4 O2	2

Primary citation

Crystal Structure of the T315I Mutant of Abl Kinase. Zhou, T., Parillon, L., Li, F. et al. Chem Biol Drug Des (2007) 70:171-181. DOI 10.1111/j.1747-0285.2007.00556.x · 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…
3IK3 1.9 Å, AP24534, a Pan-BCR-ABL Inhibitor for Chronic Myeloid Leukemia, Potently Inhibits the…
3KF4 1.9 Å, Structural analysis of DFG-in and DFG-out dual Src-Abl inhibitors sharing a common vinyl…
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…

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