ABL proto-oncogene 1, non-receptor tyrosine kinase
Kinase structure
Kinase:ABL1
Family:Abl
Group:TK
Species:HUMAN
IUPHAR/BPS ID:1923
PDB:4TWP
sc-PDB:
KIDFamMap:Search
Release date:2015-02-11
PubMed: 25686603
Chain:B
Orthosteric ligand:AXI
2D structure of the orthosteric ligand
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The orthosteric binding pocket


More entries for 4TWP
4TWPChain: A


Structural information
DFG conformation:in
αC-helix conformation:in
G-rich loop angle (distance):58.5° (17.4Å)
G-rich loop rotation:16°
Quality Score:8
Resolution:2.4 Å
Missing Residues:0
Missing Atoms:0
Ligand binding mode
PocketsSubpockets
front
FP-I

Pocket alignment
Uniprot sequence:HKLGGGQYGEVYEVAVKTLEFLKEAAVMKEIKPNLVQLLGVYIITEFMTYGNLLDYLREYLEKKNFIHRDLAARNCLVVADFGLS
Sequence structure:HKLGGGQYGEVYEVAVKTLEFLKEAAVMKEIKPNLVQLLGVYIIIEFMTYGNLLDYLREYLEKKNFIHRDLAARNCLVVADFGLS

Ligand affinity
ChEMBL ID:CHEMBL1289926
Bioaffinities: 153 records for 98 kinases
Species Kinase (ChEMBL naming) Median Min Max Type Records
Homo sapiensActivin receptor type-2B5.35.35.3pKd1
Homo sapiensAdaptor-associated kinase5.95.95.9pKd1
Homo sapiensAnkyrin repeat and protein kinase domain-containing protein 15.45.45.4pKd1
Homo sapiensBMP-2-inducible protein kinase666pKd1
Homo sapiensBone morphogenetic protein receptor type-1B5.55.55.5pKd1
Homo sapiensCaM-kinase kinase alpha5.95.95.9pKd1
Homo sapiensCaM-kinase kinase beta5.85.85.8pKd1
Homo sapiensCasein kinase II alpha (prime)5.65.65.6pKd1
Homo sapiensc-Jun N-terminal kinase 15.45.45.4pKd1
Homo sapiensc-Jun N-terminal kinase 3666pKd1
Homo sapiensCyclin-dependent kinase-like 26.36.36.3pKd1
Homo sapiensDiscoidin domain-containing receptor 25.35.35.3pKd1
Homo sapiensDual specificity mitogen-activated protein kinase kinase 15.65.65.6pKd1
Homo sapiensDual specificity mitogen-activated protein kinase kinase 25.65.65.6pKd1
Homo sapiensDual specificity mitogen-activated protein kinase kinase 56.96.96.9pKd1
Homo sapiensDual specificity protein kinase TTK5.45.45.4pKd1
Homo sapiensDual specificity testis-specific protein kinase 15.45.45.4pKd1
Homo sapiensEpidermal growth factor receptor erbB15.25.25.6pKd2
Homo sapiensEpithelial discoidin domain-containing receptor 16.56.56.5pKd1
Homo sapiensFibroblast growth factor receptor 16.46.46.4pKd1
Homo sapiensFibroblast growth factor receptor 17.37.37.3pKi1
Homo sapiensFibroblast growth factor receptor 2777pKd1
Homo sapiensFibroblast growth factor receptor 36.76.76.7pKd2
Homo sapiensG protein-coupled receptor kinase 45.65.65.6pKd1
Homo sapiensHepatocyte growth factor receptor666.1pKd3
Homo sapiensHormonally up-regulated neu tumor-associated kinase5.85.85.8pKd1
Homo sapiensInterferon-induced, double-stranded RNA-activated protein kinase5.15.15.1pKd1
Homo sapiensInterleukin-1 receptor-associated kinase 15.55.55.5pKd1
Homo sapiensLeucine-rich repeat serine/threonine-protein kinase 2666pKd2
Homo sapiensMacrophage colony stimulating factor receptor7.77.77.7pKd1
Homo sapiensMisshapen-like kinase 16.36.36.3pKd1
Homo sapiensMitogen-activated protein kinase kinase kinase 125.85.85.8pKd1
Homo sapiensMitogen-activated protein kinase kinase kinase 35.65.65.6pKd1
Homo sapiensMitogen-activated protein kinase kinase kinase 45.35.35.3pKd1
Homo sapiensMitogen-activated protein kinase kinase kinase 95.55.55.5pKd1
Homo sapiensMitogen-activated protein kinase kinase kinase kinase 16.56.56.5pKd1
Homo sapiensMitogen-activated protein kinase kinase kinase kinase 25.95.95.9pKd1
Homo sapiensMitogen-activated protein kinase kinase kinase kinase 35.95.95.9pKd1
Homo sapiensMitogen-activated protein kinase kinase kinase kinase 46.56.56.5pKd1
Homo sapiensMitogen-activated protein kinase kinase kinase kinase 56.36.36.3pKd1
Homo sapiensMixed lineage kinase 75.65.65.6pKd1
Homo sapiensMyosin IIIA5.75.75.7pKd1
Homo sapiensMyosin light chain kinase5.85.85.8pKd1
Homo sapiensmyosin light chain kinase 25.95.95.9pKd1
Homo sapiensNerve growth factor receptor Trk-A5.85.85.8pKd1
Homo sapiensNon-receptor tyrosine-protein kinase TNK16.86.86.8pKd1
Homo sapiensNUAK family SNF1-like kinase 25.95.95.9pKd1
Homo sapiensPlatelet-derived growth factor receptor alpha9.39.39.3pKd1
Homo sapiensPlatelet-derived growth factor receptor beta9.29.29.2pKd1
Homo sapiensProtein kinase N25.65.65.6pKd1
Homo sapiensProto-oncogene tyrosine-protein kinase MER5.55.55.5pKd1
Homo sapiensProto-oncogene tyrosine-protein kinase ROS5.55.55.5pKd1
Homo sapiensReceptor-interacting serine/threonine-protein kinase 15.65.65.6pKd1
Homo sapiensReceptor-interacting serine/threonine-protein kinase 45.95.95.9pKd1
Homo sapiensSerine/threonine-protein kinase 105.95.95.9pKd1
Homo sapiensSerine/threonine-protein kinase 166.46.46.4pKd1
Homo sapiensSerine/threonine-protein kinase 2666pKd1
Homo sapiensSerine/threonine-protein kinase Aurora-A7.17.17.1pKd1
Homo sapiensSerine/threonine-protein kinase Aurora-B888pKd1
Homo sapiensSerine/threonine-protein kinase Aurora-C8.98.98.9pKd1
Homo sapiensSerine/threonine-protein kinase GAK5.65.65.6pKd1
Homo sapiensSerine/threonine-protein kinase MRCK beta5.35.35.3pKd1
Homo sapiensSerine/threonine-protein kinase MST15.95.95.9pKd1
Homo sapiensSerine/threonine-protein kinase MST25.75.75.7pKd1
Homo sapiensSerine/threonine-protein kinase PAK 45.45.45.4pKd1
Homo sapiensSerine/threonine-protein kinase PCTAIRE-15.35.35.3pKd1
Homo sapiensSerine/threonine-protein kinase PLK47.37.37.4pIC503
Homo sapiensSerine/threonine-protein kinase PLK47.87.87.8pKd1
Homo sapiensSerine/threonine-protein kinase PLK48.48.48.4pKi3
Homo sapiensSerine/threonine-protein kinase RIO15.95.95.9pKd1
Homo sapiensSerine/threonine-protein kinase RIO3666pKd1
Homo sapiensSerine/threonine-protein kinase RIPK2555pKd1
Homo sapiensSerine/threonine-protein kinase SIK15.75.75.7pKd1
Homo sapiensSerine/threonine-protein kinase SRPK15.85.85.8pKd1
Homo sapiensSerine/threonine-protein kinase SRPK35.65.65.6pKd1
Homo sapiensSerine/threonine-protein kinase ULK2555pKd1
Homo sapiensSerine/threonine-protein kinase ULK36.26.26.2pKd1
Homo sapiensSPS1/STE20-related protein kinase YSK46.66.66.6pKd1
Homo sapiensStem cell growth factor receptor8.55.49.3pKd8
Homo sapiensTRAF2- and NCK-interacting kinase6.86.86.8pKd1
Homo sapiensTyrosine kinase non-receptor protein 25.25.25.2pKd1
Homo sapiensTyrosine-protein kinase ABL8.68.19.4pIC504
Homo sapiensTyrosine-protein kinase ABL7.15.68.8pKd15
Homo sapiensTyrosine-protein kinase ABL27.27.27.2pKd1
Homo sapiensTyrosine-protein kinase BLK5.55.55.5pKd1
Homo sapiensTyrosine-protein kinase CSK666pKd1
Homo sapiensTyrosine-protein kinase FGR5.85.85.8pKd1
Homo sapiensTyrosine-protein kinase ITK/TSK5.95.95.9pKd1
Homo sapiensTyrosine-protein kinase JAK25.55.55.5pKd2
Homo sapiensTyrosine-protein kinase JAK35.55.55.5pKd2
Homo sapiensTyrosine-protein kinase LCK5.65.65.6pKd1
Homo sapiensTyrosine-protein kinase receptor FLT36.65.67.5pKd7
Homo sapiensTyrosine-protein kinase receptor RET5.95.87pKd4
Homo sapiensTyrosine-protein kinase receptor Tie-1777pKd1
Homo sapiensTyrosine-protein kinase receptor UFO6.46.46.4pKd1
Homo sapiensTyrosine-protein kinase TIE-26.56.56.5pKd1
Homo sapiensTyrosine-protein kinase TXK5.65.65.6pKd1
Homo sapiensTyrosine-protein kinase TYK25.45.45.4pKd2
Homo sapiensTyrosine-protein kinase YES5.65.65.6pKd1
Homo sapiensVascular endothelial growth factor receptor 1101010pIC501
Homo sapiensVascular endothelial growth factor receptor 18.28.28.2pKd1
Homo sapiensVascular endothelial growth factor receptor 29.79.610pIC503
Homo sapiensVascular endothelial growth factor receptor 28.28.28.2pKd1
Homo sapiensVascular endothelial growth factor receptor 28.48.48.4pKi1
Homo sapiensVascular endothelial growth factor receptor 3101010pIC501
Homo sapiensVascular endothelial growth factor receptor 36.86.86.8pKd1


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 I
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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