ABL proto-oncogene 1, non-receptor tyrosine kinase
Kinase structure
Kinase:ABL1
Family:Abl
Group:TK
Species:HUMAN
IUPHAR/BPS ID:1923
PDB:3UE4
sc-PDB:
KIDFamMap:Search
Release date:2012-04-18
PubMed: 22493660
Chain:A
Orthosteric ligand:DB8
2D structure of the orthosteric ligand
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The orthosteric binding pocket


More entries for 3UE4
3UE4Chain: B


Structural information
DFG conformation:out-like
αC-helix conformation:in
G-rich loop angle (distance):61° (18.8Å)
G-rich loop rotation:35°
Quality Score:8.9
Resolution:2.42 Å
Missing Residues:0
Missing Atoms:11
Ligand binding mode
PocketsSubpocketsWaters
front
gate
BP-I-A
BP-I-B
Cluster
I1
I2
I5
I9
Ligand
No
No
No
No
Protein
Yes
No
Yes
No

Pocket alignment
Uniprot sequence:HKLGGGQYGEVYEVAVKTLEFLKEAAVMKEIKPNLVQLLGVYIITEFMTYGNLLDYLREYLEKKNFIHRDLAARNCLVVADFGLS
Sequence structure:HKLGGGQYGEVYEVAVKTLEFLKEAAVMKEIKPNLVQLLGVYIITEFMTYGNLLDYLREYLEKKNFIHRDLAARNCLVVADFGLS

Ligand affinity
ChEMBL ID:CHEMBL288441
Bioaffinities: 330 records for 192 kinases
Species Kinase (ChEMBL naming) Median Min Max Type Records
Homo sapiensAdaptor-associated kinase5.65.65.6pKd1
Homo sapiensALK tyrosine kinase receptor6.26.26.2pKd1
Homo sapiensAMP-activated protein kinase, alpha-1 subunit5.45.45.4pKd1
Homo sapiensAnkyrin repeat and protein kinase domain-containing protein 15.75.75.7pKd1
Homo sapiensBMP-2-inducible protein kinase6.56.56.5pKd1
Homo sapiensBone morphogenetic protein receptor type-26.26.26.2pKd1
Homo sapiensCaM kinase I delta777pIC501
Homo sapiensCaM kinase I delta6.36.36.3pKd1
Homo sapiensCaM kinase II alpha5.45.45.4pKd1
Homo sapiensCaM kinase II gamma6.76.76.7pIC501
Homo sapiensCaM kinase II gamma5.45.45.4pKd1
Homo sapiensCaM-kinase kinase beta6.16.16.1pKd1
Homo sapiensCasein kinase I alpha6.66.66.6pKd1
Homo sapiensCasein kinase I delta6.66.66.6pKd1
Homo sapiensCasein kinase I epsilon777pKd1
Homo sapiensCasein kinase I isoform alpha-like5.65.65.6pKd1
Homo sapiensCitron Rho-interacting kinase5.65.65.6pKd1
Homo sapiensCyclin-dependent kinase 75.95.95.9pKd1
Homo sapiensDiscoidin domain-containing receptor 26.96.96.9pKd1
Homo sapiensDual specificity mitogen-activated protein kinase kinase 1999pIC501
Homo sapiensDual specificity mitogen-activated protein kinase kinase 17.77.77.7pKd1
Homo sapiensDual specificity mitogen-activated protein kinase kinase 2888pKd1
Homo sapiensDual specificity mitogen-activated protein kinase kinase 35.65.65.6pKd1
Homo sapiensDual specificity mitogen-activated protein kinase kinase 45.65.65.6pKd1
Homo sapiensDual specificity mitogen-activated protein kinase kinase 58.18.18.1pKd1
Homo sapiensDual specificity mitogen-activated protein kinase kinase 65.95.95.9pKd1
Homo sapiensDual specificity mitogen-activated protein kinase kinase 75.35.35.3pKd1
Homo sapiensDual specificity protein kinase CLK25.85.85.8pKd1
Homo sapiensDual specificity protein kinase CLK36.56.56.5pKd1
Homo sapiensDual specificity protein kinase CLK45.55.55.5pKd1
Homo sapiensDual specificty protein kinase CLK16.26.26.2pKd1
Homo sapiensEphrin type-A receptor 15.65.65.6pKd1
Homo sapiensEphrin type-A receptor 27.87.87.8pKd1
Homo sapiensEphrin type-A receptor 38.28.28.2pKd1
Homo sapiensEphrin type-A receptor 47.87.87.8pKd1
Homo sapiensEphrin type-A receptor 57.67.67.6pKd1
Homo sapiensEphrin type-A receptor 6666pKd1
Homo sapiensEphrin type-A receptor 88.18.18.1pKd1
Homo sapiensEphrin type-B receptor 17.57.57.5pKd1
Homo sapiensEphrin type-B receptor 28.18.18.1pIC501
Homo sapiensEphrin type-B receptor 28.18.18.1pKd1
Homo sapiensEphrin type-B receptor 36.76.76.7pKd1
Homo sapiensEphrin type-B receptor 48.38.38.3pIC501
Homo sapiensEphrin type-B receptor 4888pKd1
Homo sapiensEpidermal growth factor receptor erbB17.37.37.3pIC501
Homo sapiensEpidermal growth factor receptor erbB17.46.47.8pKd12
Homo sapiensEpithelial discoidin domain-containing receptor 16.96.96.9pKd1
Homo sapiensEukaryotic translation initiation factor 2-alpha kinase 16.26.26.2pKd1
Homo sapiensEukaryotic translation initiation factor 2-alpha kinase 46.66.66.6pKd1
Homo sapiensFocal adhesion kinase 16.36.36.3pIC501
Homo sapiensFocal adhesion kinase 16.26.26.2pKd2
Homo sapiensG protein-coupled receptor kinase 45.35.35.3pKd1
Homo sapiensG protein-coupled receptor kinase 75.85.85.8pKd1
Homo sapiensHepatocyte growth factor receptor5.55.25.7pKd3
Homo sapiensHomeodomain-interacting protein kinase 16.36.36.3pKd1
Homo sapiensHomeodomain-interacting protein kinase 25.75.75.7pKd1
Homo sapiensHomeodomain-interacting protein kinase 35.55.55.5pKd1
Homo sapiensHomeodomain-interacting protein kinase 46.96.96.9pKd1
Homo sapiensInhibitor of nuclear factor kappa B kinase epsilon subunit7.37.37.3pKd1
Homo sapiensInterleukin-1 receptor-associated kinase 16.26.26.2pKd1
Homo sapiensInterleukin-1 receptor-associated kinase 46.26.26.2pIC501
Homo sapiensInterleukin-1 receptor-associated kinase 46.46.46.4pKd1
Homo sapiensLeucine-rich repeat serine/threonine-protein kinase 26.16.16.3pKd2
Homo sapiensLeukocyte tyrosine kinase receptor5.55.55.5pKd1
Homo sapiensMacrophage colony stimulating factor receptor6.46.46.4pKd1
Homo sapiensMacrophage-stimulating protein receptor5.25.25.2pKd1
Homo sapiensMicrotubule-associated serine/threonine-protein kinase 16.56.56.5pKd1
Homo sapiensMisshapen-like kinase 17.77.77.7pIC501
Homo sapiensMisshapen-like kinase 18.58.58.5pKd1
Homo sapiensMitogen-activated protein kinase 75.65.65.6pKd1
Homo sapiensMitogen-activated protein kinase kinase kinase 15.45.45.4pKd1
Homo sapiensMitogen-activated protein kinase kinase kinase 115.65.65.6pKd1
Homo sapiensMitogen-activated protein kinase kinase kinase 136.36.36.3pKd1
Homo sapiensMitogen-activated protein kinase kinase kinase 27.57.57.5pKd1
Homo sapiensMitogen-activated protein kinase kinase kinase 37.37.37.3pKd1
Homo sapiensMitogen-activated protein kinase kinase kinase 4777pKd1
Homo sapiensMitogen-activated protein kinase kinase kinase 7777pKd1
Homo sapiensMitogen-activated protein kinase kinase kinase 95.65.65.6pKd1
Homo sapiensMitogen-activated protein kinase kinase kinase kinase 17.87.87.8pKd1
Homo sapiensMitogen-activated protein kinase kinase kinase kinase 2888pIC501
Homo sapiensMitogen-activated protein kinase kinase kinase kinase 28.58.58.5pKd1
Homo sapiensMitogen-activated protein kinase kinase kinase kinase 38.38.38.3pKd1
Homo sapiensMitogen-activated protein kinase kinase kinase kinase 48.18.18.1pKd1
Homo sapiensMitogen-activated protein kinase kinase kinase kinase 59.59.59.5pIC501
Homo sapiensMitogen-activated protein kinase kinase kinase kinase 59.39.39.3pKd1
Homo sapiensMixed lineage kinase 77.17.17.1pKd1
Homo sapiensMyosin IIIA5.25.25.2pKd1
Homo sapiensMyosin-IIIB5.65.65.6pKd1
Homo sapiensMyosin light chain kinase, smooth muscle6.36.36.3pKd1
Homo sapiensMyotonin-protein kinase777pKd1
Homo sapiensNerve growth factor receptor Trk-A7.77.77.7pIC501
Homo sapiensNerve growth factor receptor Trk-A5.55.55.5pKd1
Homo sapiensNeurotrophic tyrosine kinase receptor type 27.67.67.6pIC501
Homo sapiensNeurotrophic tyrosine kinase receptor type 25.95.95.9pKd1
Homo sapiensNT-3 growth factor receptor5.55.55.5pKd1
Homo sapiensNUAK family SNF1-like kinase 15.25.25.2pKd1
Homo sapiensNUAK family SNF1-like kinase 26.76.76.7pKd1
Homo sapiensPhosphatidylinositol-4-phosphate 5-kinase type-1 alpha5.55.55.5pKd1
Homo sapiensPhosphorylase kinase gamma subunit 16.56.56.5pKd1
Homo sapiensPhosphorylase kinase gamma subunit 25.95.95.9pKd1
Homo sapiensPlatelet-derived growth factor receptor alpha5.35.35.3pKd1
Homo sapiensPlatelet-derived growth factor receptor beta6.76.76.7pKd1
Homo sapiensProtein kinase C delta5.85.85.8pKd1
Homo sapiensProtein kinase C epsilon5.65.65.6pKd1
Homo sapiensProtein kinase C nu5.35.35.3pKd1
Homo sapiensProtein kinase C theta666pKd1
Homo sapiensProtein kinase N15.55.55.5pKd1
Homo sapiensProtein kinase N25.55.55.5pKd1
Homo sapiensProtein tyrosine kinase 2 beta6.96.96.9pIC501
Homo sapiensProtein tyrosine kinase 2 beta6.46.46.4pKd1
Homo sapiensProto-oncogene tyrosine-protein kinase MER777pKd1
Homo sapiensReceptor protein-tyrosine kinase erbB-25.65.65.6pIC501
Homo sapiensReceptor protein-tyrosine kinase erbB-25.65.65.6pKd1
Homo sapiensReceptor protein-tyrosine kinase erbB-47.67.67.6pKd1
Homo sapiensReceptor tyrosine-protein kinase erbB-39.19.19.1pKd1
Homo sapiensRho-associated protein kinase 16.16.16.1pKd1
Homo sapiensRho-associated protein kinase 26.46.46.4pKd1
Homo sapiensRibosomal protein S6 kinase 16.26.26.2pKd1
Homo sapiensRibosomal protein S6 kinase alpha 25.55.55.5pKd2
Homo sapiensRibosomal protein S6 kinase alpha 35.95.95.9pKd2
Homo sapiensRibosomal protein S6 kinase alpha 65.65.65.6pKd2
Homo sapiensSerine/threonine-protein kinase 107.37.37.3pIC501
Homo sapiensSerine/threonine-protein kinase 108.28.28.2pKd1
Homo sapiensSerine/threonine-protein kinase 28.38.38.3pKd1
Homo sapiensSerine/threonine-protein kinase 248.48.48.4pIC501
Homo sapiensSerine/threonine-protein kinase 246.46.46.4pKd1
Homo sapiensSerine/threonine-protein kinase 256.16.16.1pKd1
Homo sapiensSerine/threonine-protein kinase 32A5.85.85.8pKd1
Homo sapiensSerine/threonine-protein kinase 337.47.47.4pKd1
Homo sapiensSerine/threonine-protein kinase 358.78.78.7pKd1
Homo sapiensSerine/threonine-protein kinase 366.26.26.2pKd1
Homo sapiensSerine/threonine-protein kinase Chk15.55.55.5pKd1
Homo sapiensSerine/threonine-protein kinase Chk26.96.96.9pKd1
Homo sapiensSerine/threonine-protein kinase DCLK35.35.35.3pKd1
Homo sapiensSerine/threonine-protein kinase GAK8.98.98.9pKd1
Homo sapiensSerine/threonine-protein kinase MST16.76.76.7pIC501
Homo sapiensSerine/threonine-protein kinase MST16.76.76.7pKd1
Homo sapiensSerine/threonine-protein kinase MST26.46.46.4pKd1
Homo sapiensSerine/threonine-protein kinase MST47.47.47.4pKd1
Homo sapiensSerine/threonine-protein kinase Nek116.26.26.2pKd1
Homo sapiensSerine/threonine-protein kinase NEK25.85.85.8pKd1
Homo sapiensSerine/threonine-protein kinase NIM15.85.85.8pKd1
Homo sapiensSerine/threonine protein kinase NLK5.75.75.7pKd1
Homo sapiensSerine/threonine-protein kinase PAK 15.65.65.6pKd1
Homo sapiensSerine/threonine-protein kinase PAK 25.75.75.7pKd1
Homo sapiensSerine/threonine-protein kinase PAK 35.25.25.2pKd1
Homo sapiensSerine/threonine-protein kinase PCTAIRE-15.65.65.6pKd1
Homo sapiensSerine/threonine-protein kinase PFTAIRE-15.95.95.9pKd1
Homo sapiensSerine/threonine-protein kinase PFTAIRE-25.85.85.8pKd1
Homo sapiensSerine/threonine-protein kinase PLK15.85.85.8pKd1
Homo sapiensSerine/threonine-protein kinase PLK2666pKd1
Homo sapiensSerine/threonine-protein kinase RIO15.75.75.7pKd1
Homo sapiensSerine/threonine-protein kinase RIO35.85.85.8pKd1
Homo sapiensSerine/threonine-protein kinase RIPK25.45.45.4pKd1
Homo sapiensSerine/threonine-protein kinase SIK17.57.57.5pKd1
Homo sapiensSerine/threonine-protein kinase SIK27.57.57.5pKd1
Homo sapiensSerine/threonine-protein kinase SIK37.27.27.2pKd1
Homo sapiensSerine/threonine-protein kinase SRPK35.45.45.4pKd1
Homo sapiensSerine/threonine-protein kinase TAO15.95.95.9pKd1
Homo sapiensSerine/threonine-protein kinase TAO25.75.75.7pKd1
Homo sapiensSerine/threonine-protein kinase TAO36.56.56.5pKd1
Homo sapiensSerine/threonine-protein kinase TBK16.36.36.3pIC501
Homo sapiensSerine/threonine-protein kinase TBK16.66.66.6pKd1
Homo sapiensSerine/threonine-protein kinase TNNI3K6.86.86.8pKd1
Homo sapiensSerine/threonine-protein kinase tousled-like 16.26.26.2pKd1
Homo sapiensSerine/threonine-protein kinase tousled-like 25.75.75.7pKd1
Homo sapiensSerine/threonine-protein kinase ULK15.95.95.9pKd1
Homo sapiensSerine/threonine-protein kinase ULK26.46.46.4pKd1
Homo sapiensSerine/threonine-protein kinase ULK36.36.36.3pKd1
Homo sapiensSerine/threonine-protein kinase WEE16.36.36.3pKd1
Homo sapiensSPS1/STE20-related protein kinase YSK47.87.87.8pKd1
Homo sapiensSTE20/SPS1-related proline-alanine-rich protein kinase5.45.45.4pKd1
Homo sapiensStem cell growth factor receptor5.25.25.2pIC501
Homo sapiensStem cell growth factor receptor6.66.37.1pKd7
Homo sapiensTestis-specific serine/threonine-protein kinase 15.35.35.3pKd1
Homo sapiensTRAF2- and NCK-interacting kinase7.57.57.5pKd1
Homo sapiensTyrosine- and threonine-specific cdc2-inhibitory kinase6.56.56.5pKd1
Homo sapiensTyrosine kinase non-receptor protein 28.68.68.6pIC502
Homo sapiensTyrosine kinase non-receptor protein 27.57.57.5pKd1
Homo sapiensTyrosine-protein kinase ABL96.39.3pIC505
Homo sapiensTyrosine-protein kinase ABL10.17.710.5pKd16
Homo sapiensTyrosine-protein kinase ABL29.39.39.3pIC501
Homo sapiensTyrosine-protein kinase ABL28.88.88.8pKd1
Homo sapiensTyrosine-protein kinase BLK8.58.58.5pKd1
Mus musculusTyrosine-protein kinase BLK8.18.18.1pIC501
Homo sapiensTyrosine-protein kinase BMX8.18.19pIC502
Homo sapiensTyrosine-protein kinase BMX6.76.76.7pKd1
Homo sapiensTyrosine-protein kinase BTK8.68.68.6pIC501
Homo sapiensTyrosine-protein kinase BTK8.38.38.3pKd1
Homo sapiensTyrosine-protein kinase CSK7.27.27.2pIC501
Homo sapiensTyrosine-protein kinase CSK7.57.57.5pKd1
Homo sapiensTyrosine-protein kinase CTK5.25.25.2pKd1
Homo sapiensTyrosine-protein kinase FER6.36.36.3pIC501
Homo sapiensTyrosine-protein kinase FER6.46.46.4pKd1
Homo sapiensTyrosine-protein kinase FES6.56.56.5pIC501
Homo sapiensTyrosine-protein kinase FES6.56.56.5pKd1
Homo sapiensTyrosine-protein kinase FGR999pIC501
Homo sapiensTyrosine-protein kinase FGR8.28.28.2pKd1
Homo sapiensTyrosine-protein kinase FRK8.78.78.7pIC501
Homo sapiensTyrosine-protein kinase FRK8.98.98.9pKd1
Homo sapiensTyrosine-protein kinase FYN6.46.48.7pIC503
Homo sapiensTyrosine-protein kinase FYN888pKd1
Homo sapiensTyrosine-protein kinase HCK8.58.58.5pIC501
Homo sapiensTyrosine-protein kinase HCK8.58.58.5pKd2
Homo sapiensTyrosine-protein kinase ITK/TSK5.85.85.8pKd1
Homo sapiensTyrosine-protein kinase JAK2666pKd2
Homo sapiensTyrosine-protein kinase JAK35.95.95.9pKd2
Homo sapiensTyrosine-protein kinase LCK8.98.98.9pIC501
Homo sapiensTyrosine-protein kinase LCK9.29.29.2pKd1
Homo sapiensTyrosine-protein kinase Lyn8.18.18.1pIC502
Homo sapiensTyrosine-protein kinase Lyn8.48.48.4pKd1
Homo sapiensTyrosine-protein kinase receptor FLT35.75.56pKd7
Homo sapiensTyrosine-protein kinase receptor RET5.45.35.4pKd3
Homo sapiensTyrosine-protein kinase receptor Tie-15.55.55.5pKd1
Homo sapiensTyrosine-protein kinase receptor TYRO37.27.27.2pKd1
Homo sapiensTyrosine-protein kinase receptor UFO6.56.36.8pIC503
Homo sapiensTyrosine-protein kinase receptor UFO7.37.37.3pKd1
Homo sapiensTyrosine-protein kinase SRC8.479pIC5032
Homo sapiensTyrosine-protein kinase SRC999pKd3
Homo sapiensTyrosine-protein kinase Srms777pKd1
Homo sapiensTyrosine-protein kinase SYK7.37.37.3pIC501
Homo sapiensTyrosine-protein kinase SYK6.56.56.5pKd1
Homo sapiensTyrosine-protein kinase TEC6.66.66.6pIC501
Homo sapiensTyrosine-protein kinase TEC5.55.55.5pKd1
Homo sapiensTyrosine-protein kinase TIE-25.95.95.9pIC501
Homo sapiensTyrosine-protein kinase TIE-25.45.45.4pKd1
Homo sapiensTyrosine-protein kinase TXK7.47.47.4pIC501
Homo sapiensTyrosine-protein kinase TXK7.17.17.1pKd1
Homo sapiensTyrosine-protein kinase TYK25.25.25.4pKd4
Homo sapiensTyrosine-protein kinase YES9.49.49.4pIC501
Homo sapiensTyrosine-protein kinase YES8.48.48.4pKd1
Homo sapiensTyrosine-protein kinase ZAP-705.85.85.8pKd1
Homo sapiensWee1-like protein kinase 2777pKd1


Kinase-ligand interaction pattern
Hydrophobic Aromatic face-to-face Aromatic face-to-edge H-bond donor H-bond acceptor Ionic positive Ionic negative
I g.l II III αC
1 H
246
2 K
247
3 L
248
4 G
249
5 G
250
6 G
251
7 Q
252
8 Y
253
9 G
254
10 E
255
11 V
256
12 Y
257
13 E
258
14 V
268
15 A
269
16 V
270
17 K
271
18 T
272
19 L
273
20 E
282
αC b.l IV
21 F
283
22 L
284
23 K
285
24 E
286
25 A
287
26 A
288
27 V
289
28 M
290
29 K
291
30 E
292
31 I
293
32 K
294
33 P
296
34 N
297
35 L
298
36 V
299
37 Q
300
38 L
301
39 L
302
40 G
303
IV V GK hinge linker αD αE
41 V
304
42 Y
312
43 I
313
44 I
314
45 T
315
46 E
316
47 F
317
48 M
318
49 T
319
50 Y
320
51 G
321
52 N
322
53 L
323
54 L
324
55 D
325
56 Y
326
57 L
327
58 R
328
59 E
329
60 Y
353
αE VI c.l VII VIII x
61 L
354
62 E
355
63 K
356
64 K
357
65 N
358
66 F
359
67 I
360
68 H
361
69 R
362
70 D
363
71 L
364
72 A
365
73 A
366
74 R
367
75 N
368
76 C
369
77 L
370
78 V
371
79 V
379
80 A
380
DFG a.l
81 D
381
82 F
382
83 G
383
84 L
384
85 S
385

Interaction pattern search
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