ABL proto-oncogene 1, non-receptor tyrosine kinase
Kinase structure
Kinase:ABL1
Family:Abl
Group:TK
Species:HUMAN
IUPHAR/BPS ID:1923
PDB:4XEY
sc-PDB:
KIDFamMap:Search
Release date:2015-04-01
PubMed: 25779001
Chain:A
Orthosteric ligand:1N1
2D structure of the orthosteric ligand
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The orthosteric binding pocket


More entries for 4XEY
4XEYChain: B


Structural information
DFG conformation:out-like
αC-helix conformation:in
G-rich loop angle (distance):-
G-rich loop rotation:-
Quality Score:6.4
Resolution:2.89 Å
Missing Residues:4
Missing Atoms:0
Ligand binding mode
PocketsSubpockets
front
gate
BP-I-A
BP-I-B

Pocket alignment
Uniprot sequence:HKLGGGQYGEVYEVAVKTLEFLKEAAVMKEIKPNLVQLLGVYIITEFMTYGNLLDYLREYLEKKNFIHRDLAARNCLVVADFGLS
Sequence structure:HKLGG____EVYEVAVKTLEFLKEAAVMKEIKPNLVQLLGVYIITEFMTYGNLLDYLREYLEKKNFIHRDLAARNCLVVADFGLS

Ligand affinity
ChEMBL ID:CHEMBL1421
Bioaffinities: 404 records for 131 kinases
Species Kinase (ChEMBL naming) Median Min Max Type Records
Homo sapiensActivin receptor type-16.26.26.2pKd2
Homo sapiensActivin receptor type-17.17.17.1pKi1
Homo sapiensActivin receptor type-1B6.56.56.5pKd2
Homo sapiensActivin receptor type-2A6.76.76.7pKd2
Homo sapiensActivin receptor type-2B6.26.26.2pKd2
Homo sapiensBone morphogenetic protein receptor type-1A5.25.25.2pKd1
Homo sapiensBone morphogenetic protein receptor type-1B7.37.37.3pKd1
Plasmodium falciparum (isolate 3D7)Calcium-dependent protein kinase 16.26.26.2pKd1
Homo sapiensCasein kinase I epsilon5.85.85.8pKd2
Homo sapiensChaperone activity of bc1 complex-like, mitochondrial6.76.76.7pKd2
Homo sapiensDiscoidin domain-containing receptor 28.76.19.4pIC505
Homo sapiensDiscoidin domain-containing receptor 28.57.88.5pKd4
Homo sapiensDual specificity mitogen-activated protein kinase kinase 1666pKd2
Homo sapiensDual specificity mitogen-activated protein kinase kinase 16.26.26.2pKi1
Homo sapiensDual specificity mitogen-activated protein kinase kinase 25.95.95.9pKd2
Homo sapiensDual specificity mitogen-activated protein kinase kinase 25.85.85.8pKi1
Homo sapiensDual specificity mitogen-activated protein kinase kinase 58.58.58.5pKd1
Homo sapiensDual specificity testis-specific protein kinase 17.57.57.5pKd2
Homo sapiensDual-specificity tyrosine-phosphorylation regulated kinase 35.95.95.9pKi1
Homo sapiensEphrin type-A receptor 18.48.48.4pKd2
Homo sapiensEphrin type-A receptor 26.96.96.9pIC501
Homo sapiensEphrin type-A receptor 29.19.19.1pKd2
Homo sapiensEphrin type-A receptor 28.48.48.4pKi1
Homo sapiensEphrin type-A receptor 3101010pKd2
Homo sapiensEphrin type-A receptor 48.98.98.9pKd2
Homo sapiensEphrin type-A receptor 59.69.69.6pKd2
Homo sapiensEphrin type-A receptor 65.75.75.7pKd1
Homo sapiensEphrin type-A receptor 89.69.69.6pKd2
Homo sapiensEphrin type-B receptor 19.49.49.4pKd2
Homo sapiensEphrin type-B receptor 28.48.48.4pIC501
Homo sapiensEphrin type-B receptor 29.49.49.4pKd2
Homo sapiensEphrin type-B receptor 38.28.28.2pKd2
Homo sapiensEphrin type-B receptor 49.59.59.5pKd2
Homo sapiensEpidermal growth factor receptor erbB16.85.57.7pIC505
Homo sapiensEpidermal growth factor receptor erbB16.95.67.1pKd22
Homo sapiensEpithelial discoidin domain-containing receptor 18.38.39.3pIC502
Homo sapiensEpithelial discoidin domain-containing receptor 19.29.29.2pKd2
Homo sapiensEukaryotic translation initiation factor 2-alpha kinase 45.85.85.8pKd2
Homo sapiensFibroblast growth factor receptor 16.16.16.1pIC501
Homo sapiensFibroblast growth factor receptor 15.45.45.4pKd2
Homo sapiensFibroblast growth factor receptor 15.75.75.7pKi1
Homo sapiensFibroblast growth factor receptor 25.95.95.9pKd2
Homo sapiensFibroblast growth factor receptor 35.45.45.4pKd1
Homo sapiensFibroblast growth factor receptor 35.95.95.9pKi1
Homo sapiensInterleukin-1 receptor-associated kinase 45.35.35.3pKi1
Homo sapiensLIM domain kinase 16.96.96.9pIC501
Homo sapiensLIM domain kinase 16.26.26.2pKd2
Homo sapiensLIM domain kinase 16.66.66.6pKi1
Homo sapiensLIM domain kinase 27.17.17.1pKd2
Homo sapiensMacrophage colony stimulating factor receptor8.18.18.3pIC502
Homo sapiensMacrophage colony stimulating factor receptor9.29.29.2pKd2
Homo sapiensMAP kinase p38 alpha7.66.37.6pKd5
Homo sapiensMAP kinase p38 alpha7.57.57.5pKi1
Homo sapiensMAP kinase p38 beta6.46.46.4pKd2
Homo sapiensMisshapen-like kinase 16.46.46.4pKd1
Homo sapiensMisshapen-like kinase 16.16.16.1pKi1
Homo sapiensMitogen-activated protein kinase kinase kinase 105.65.65.6pKi1
Homo sapiensMitogen-activated protein kinase kinase kinase 135.35.35.3pKd1
Homo sapiensMitogen-activated protein kinase kinase kinase 26.96.96.9pKd1
Homo sapiensMitogen-activated protein kinase kinase kinase 36.66.66.6pKd1
Homo sapiensMitogen-activated protein kinase kinase kinase 46.56.56.5pKd2
Homo sapiensMitogen-activated protein kinase kinase kinase 75.45.45.4pKd1
Homo sapiensMitogen-activated protein kinase kinase kinase kinase 1666pKd2
Homo sapiensMitogen-activated protein kinase kinase kinase kinase 25.95.95.9pKd1
Homo sapiensMitogen-activated protein kinase kinase kinase kinase 36.26.26.2pKd2
Homo sapiensMitogen-activated protein kinase kinase kinase kinase 45.55.55.5pKd2
Homo sapiensMitogen-activated protein kinase kinase kinase kinase 57.47.47.4pKd2
Homo sapiensMitogen-activated protein kinase kinase kinase kinase 57.87.87.8pKi1
Homo sapiensMixed lineage kinase 77.47.47.4pKd2
Homo sapiensMixed lineage kinase 77.37.37.3pKi1
Homo sapiensmyosin light chain kinase 25.55.55.5pKd1
Homo sapiensMyotonin-protein kinase5.95.95.9pKd2
Homo sapiensPlatelet-derived growth factor receptor alpha7.27.28pIC502
Homo sapiensPlatelet-derived growth factor receptor alpha9.39.39.3pKd2
Homo sapiensPlatelet-derived growth factor receptor alpha888pKi1
Homo sapiensPlatelet-derived growth factor receptor beta7.67.67.6pIC501
Homo sapiensPlatelet-derived growth factor receptor beta9.29.29.2pKd2
Homo sapiensPlatelet-derived growth factor receptor beta8.98.98.9pKi1
Homo sapiensProtein kinase N25.35.35.3pKi1
Homo sapiensReceptor protein-tyrosine kinase erbB-26.26.26.2pIC502
Homo sapiensReceptor protein-tyrosine kinase erbB-25.95.95.9pKd2
Homo sapiensReceptor protein-tyrosine kinase erbB-26.86.86.8pKi1
Homo sapiensReceptor protein-tyrosine kinase erbB-47.37.37.3pKd1
Homo sapiensReceptor protein-tyrosine kinase erbB-47.47.47.4pKi1
Homo sapiensReceptor tyrosine-protein kinase erbB-37.87.87.8pKd1
Homo sapiensSerine/threonine-protein kinase 105.95.95.9pKd2
Homo sapiensSerine/threonine-protein kinase 26.16.16.1pKd2
Homo sapiensSerine/threonine-protein kinase 26.26.26.2pKi1
Homo sapiensSerine/threonine-protein kinase 255.55.55.5pKd1
Homo sapiensSerine/threonine-protein kinase 356.16.16.1pKd1
Homo sapiensSerine/threonine-protein kinase 366.76.76.7pKd2
Homo sapiensSerine/threonine-protein kinase Aurora-A5.65.65.6pIC501
Homo sapiensSerine/threonine-protein kinase Aurora-A555pKd1
Homo sapiensSerine/threonine-protein kinase Aurora-B5.25.25.2pIC501
Homo sapiensSerine/threonine-protein kinase Aurora-B5.95.95.9pKi1
Homo sapiensSerine/threonine-protein kinase B-raf6.26.26.3pKd4
Homo sapiensSerine/threonine-protein kinase GAK8.68.68.6pKd3
Homo sapiensSerine/threonine-protein kinase MRCK-A5.75.75.7pKd2
Homo sapiensSerine/threonine-protein kinase MRCK-A5.25.25.2pKi1
Homo sapiensSerine/threonine-protein kinase MRCK beta5.75.75.7pKd2
Homo sapiensSerine/threonine-protein kinase MRCK gamma5.95.95.9pKd2
Homo sapiensSerine/threonine-protein kinase MST15.45.45.4pKd1
Homo sapiensSerine/threonine-protein kinase MST45.75.75.7pKd2
Homo sapiensSerine/threonine-protein kinase mTOR4.54.54.5pIC501
Homo sapiensSerine/threonine-protein kinase Nek116.36.36.3pKd1
Homo sapiensSerine/threonine-protein kinase NEK25.25.25.2pKd1
Homo sapiensSerine/threonine protein kinase NLK6.66.66.6pKd2
Homo sapiensSerine/threonine-protein kinase PLK45.75.75.7pKi1
Homo sapiensSerine/threonine-protein kinase RAF6.86.86.8pIC501
Homo sapiensSerine/threonine-protein kinase RAF6.26.26.2pKd2
Homo sapiensSerine/threonine-protein kinase receptor R36.36.36.3pKd2
Homo sapiensSerine/threonine-protein kinase RIPK2777pIC501
Homo sapiensSerine/threonine-protein kinase RIPK27.57.57.5pKd2
Homo sapiensSerine/threonine-protein kinase SBK15.95.95.9pKd1
Homo sapiensSerine/threonine-protein kinase SIK18.48.48.4pKd2
Homo sapiensSerine/threonine-protein kinase SIK28.28.28.2pKd2
Homo sapiensSerine/threonine-protein kinase SIK29.19.19.1pKi1
Homo sapiensSerine/threonine-protein kinase SIK37.67.67.6pKd1
Homo sapiensSerine/threonine-protein kinase TAO1666pKi1
Homo sapiensSerine/threonine-protein kinase TAO25.35.35.3pKd1
Homo sapiensSerine/threonine-protein kinase TAO35.65.65.6pKd1
Homo sapiensSerine/threonine-protein kinase TNNI3K888pKd2
Homo sapiensSerine/threonine-protein kinase ULK35.35.35.3pKd1
Homo sapiensSerine/threonine-protein kinase WEE15.25.25.2pKd3
Homo sapiensSPS1/STE20-related protein kinase YSK47.17.17.1pKd1
Homo sapiensStem cell growth factor receptor8.36.98.8pIC509
Homo sapiensStem cell growth factor receptor9.18.69.2pKd13
Homo sapiensTGF-beta receptor type I6.66.66.6pKd2
Homo sapiensTGF-beta receptor type II5.55.55.5pKd2
Homo sapiensTRAF2- and NCK-interacting kinase5.75.75.7pKd2
Homo sapiensTyrosine- and threonine-specific cdc2-inhibitory kinase6.76.78.2pIC502
Homo sapiensTyrosine- and threonine-specific cdc2-inhibitory kinase6.96.86.9pKd3
Homo sapiensTyrosine- and threonine-specific cdc2-inhibitory kinase7.17.19.3pKi2
Homo sapiensTyrosine kinase non-receptor protein 28.38.28.3pKd3
Homo sapiensTyrosine kinase non-receptor protein 28.68.68.6pKi1
Homo sapiensTyrosine-protein kinase ABL8.55.89.8pIC5014
Homo sapiensTyrosine-protein kinase ABL10.26.110.8pKd22
Homo sapiensTyrosine-protein kinase ABL29.89.89.8pKd2
Homo sapiensTyrosine-protein kinase BLK9.79.79.7pKd2
Mus musculusTyrosine-protein kinase BLK8.18.18.1pIC501
Homo sapiensTyrosine-protein kinase BMX8.98.98.9pKd2
Homo sapiensTyrosine-protein kinase BRK8.18.18.1pIC501
Homo sapiensTyrosine-protein kinase BRK8.18.18.1pKd2
Homo sapiensTyrosine-protein kinase BRK8.38.38.3pKi1
Homo sapiensTyrosine-protein kinase BTK8.38.38.9pIC503
Homo sapiensTyrosine-protein kinase BTK8.98.98.9pKd2
Homo sapiensTyrosine-protein kinase CSK999pKd2
Homo sapiensTyrosine-protein kinase FES5.75.75.7pKi1
Homo sapiensTyrosine-protein kinase FGR9.39.39.3pKd2
Homo sapiensTyrosine-protein kinase FRK9.59.59.5pKd2
Homo sapiensTyrosine-protein kinase FYN9.79.79.7pIC501
Homo sapiensTyrosine-protein kinase FYN9.19.19.1pKd2
Homo sapiensTyrosine-protein kinase HCK9.59.59.5pKd2
Homo sapiensTyrosine-protein kinase HCK9.59.59.5pKi1
Homo sapiensTyrosine-protein kinase ITK/TSK6.66.66.6pIC501
Homo sapiensTyrosine-protein kinase JAK2666pKd4
Homo sapiensTyrosine-protein kinase JAK25.95.95.9pKi2
Homo sapiensTyrosine-protein kinase JAK36.26.26.2pKd2
Homo sapiensTyrosine-protein kinase LCK8.58.49.4pIC504
Homo sapiensTyrosine-protein kinase LCK9.79.79.7pKd2
Mus musculusTyrosine-protein kinase LCK10.210.210.2pKi1
Homo sapiensTyrosine-protein kinase Lyn9.29.29.2pKd2
Homo sapiensTyrosine-protein kinase receptor FLT35.255.5pKd7
Homo sapiensTyrosine-protein kinase receptor RET5.75.76.4pIC502
Homo sapiensTyrosine-protein kinase receptor RET6.15.56.4pKd5
Homo sapiensTyrosine-protein kinase receptor UFO5.75.75.7pKi1
Gallus gallusTyrosine-protein kinase SRC6.36.39.4pIC502
Gallus gallusTyrosine-protein kinase SRC888pKd1
Homo sapiensTyrosine-protein kinase SRC9.27.99.5pIC509
Homo sapiensTyrosine-protein kinase SRC9.789.7pKd4
Homo sapiensTyrosine-protein kinase Srms7.97.97.9pKd2
Homo sapiensTyrosine-protein kinase Srms9.29.29.2pKi1
Homo sapiensTyrosine-protein kinase SYK5.55.55.5pKd2
Homo sapiensTyrosine-protein kinase SYK6.76.76.7pKi1
Homo sapiensTyrosine-protein kinase TEC6.56.56.5pIC501
Homo sapiensTyrosine-protein kinase TEC7.97.97.9pKd2
Homo sapiensTyrosine-protein kinase TXK9.59.59.5pIC501
Homo sapiensTyrosine-protein kinase TXK8.78.78.7pKd2
Homo sapiensTyrosine-protein kinase TYK25.85.87pKd4
Homo sapiensTyrosine-protein kinase YES9.39.39.3pIC503
Homo sapiensTyrosine-protein kinase YES9.59.59.5pKd2
Homo sapiensVascular endothelial growth factor receptor 15.35.35.3pKd2
Homo sapiensVascular endothelial growth factor receptor 25.65.65.6pIC501
Homo sapiensVascular endothelial growth factor receptor 25.55.55.5pKd1
Homo sapiensVascular endothelial growth factor receptor 25.95.95.9pKi1
Homo sapiensWee1-like protein kinase 26.36.36.7pKd2


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
265
2 K
266
3 L
267
4 G
268
5 G
269
6 _
_
7 _
_
8 _
_
9 _
_
10 E
274
11 V
275
12 Y
276
13 E
277
14 V
287
15 A
288
16 V
289
17 K
290
18 T
291
19 L
292
20 E
301
αC b.l IV
21 F
302
22 L
303
23 K
304
24 E
305
25 A
306
26 A
307
27 V
308
28 M
309
29 K
310
30 E
311
31 I
312
32 K
313
33 P
315
34 N
316
35 L
317
36 V
318
37 Q
319
38 L
320
39 L
321
40 G
322
IV V GK hinge linker αD αE
41 V
323
42 Y
331
43 I
332
44 I
333
45 T
334
46 E
335
47 F
336
48 M
337
49 T
338
50 Y
339
51 G
340
52 N
341
53 L
342
54 L
343
55 D
344
56 Y
345
57 L
346
58 R
347
59 E
348
60 Y
372
αE VI c.l VII VIII x
61 L
373
62 E
374
63 K
375
64 K
376
65 N
377
66 F
378
67 I
379
68 H
380
69 R
381
70 D
382
71 L
383
72 A
384
73 A
385
74 R
386
75 N
387
76 C
388
77 L
389
78 V
390
79 V
398
80 A
399
DFG a.l
81 D
400
82 F
401
83 G
402
84 L
403
85 S
404

Interaction pattern search
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