ABL proto-oncogene 1, non-receptor tyrosine kinase
Kinase structure
Kinase:ABL1
Family:Abl
Group:TK
Species:HUMAN
IUPHAR/BPS ID:1923
PDB:2GQG
sc-PDB:
KIDFamMap:Search
Release date:2006-11-21
PubMed: 16740718
Chain:B
(Alternate) Model:B
Orthosteric ligand:1N1
2D structure of the orthosteric ligand
Click to open a 3D viewer
The orthosteric binding pocket


More entries for 2GQG
2GQGAlternative model: AChain: A
2GQGAlternative model: AChain: B
2GQGAlternative model: BChain: A


Structural information
DFG conformation:in
αC-helix conformation:in
G-rich loop angle (distance):51.7° (15.7Å)
G-rich loop rotation:28.2°
Quality Score:8
Resolution:2.4 Å
Missing Residues:0
Missing Atoms:0
Ligand binding mode
PocketsSubpocketsWaters
front
gate
back
BP-I-A
BP-I-B
Cluster
I1
I10
Ligand
Yes
No
Protein
Yes
Yes

Pocket alignment
Uniprot sequence:HKLGGGQYGEVYEVAVKTLEFLKEAAVMKEIKPNLVQLLGVYIITEFMTYGNLLDYLREYLEKKNFIHRDLAARNCLVVADFGLS
Sequence structure:HKLGGGQYGEVYEVAVKTLEFLKEAAVMKEIKPNLVQLLGVYIITEFMTYGNLLDYLREYLEKKNFIHRDLAARNCLVVADFGLS

Ligand affinity
ChEMBL ID:CHEMBL1421
Bioaffinities: 384 records for 128 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
Homo sapiensCasein kinase I epsilon5.85.85.8pKd2
Homo sapiensDiscoidin domain-containing receptor 28.77.99.4pIC504
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 WEE15.25.25.2pKd2
Homo sapiensSPS1/STE20-related protein kinase YSK47.17.17.1pKd1
Homo sapiensStem cell growth factor receptor7.978.6pIC505
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 kinase6.96.96.9pKd2
Homo sapiensTyrosine kinase non-receptor protein 28.38.28.3pKd3
Homo sapiensTyrosine kinase non-receptor protein 28.68.68.6pKi1
Homo sapiensTyrosine-protein kinase ABL9.65.89.8pIC5011
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 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 SRC9.49.49.4pIC501
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 26.76.76.7pKd1


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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