C-abl oncogene 1, non-receptor tyrosine kinase
Kinase structure
Kinase:Abl1 (ABL1)
Family:Abl
Group:TK
Species:MOUSE
PDB:3IK3
sc-PDB:
KIDFamMap:Search
Release date:2009-11-03
PubMed: 19878872
Chain:B
Orthosteric ligand:0LI
2D structure of the orthosteric ligand
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The orthosteric binding pocket


More entries for 3IK3
3IK3Chain: A


Structural information
DFG conformation:out
αC-helix conformation:out
G-rich loop angle (distance):57.8° (17.7Å)
G-rich loop rotation:10.6°
Quality Score:8
Resolution:1.9 Å
Missing Residues:0
Missing Atoms:0
Ligand binding mode
PocketsSubpocketsWaters
front
gate
back
BP-I-A
BP-I-B
BP-II-out
BP-III
BP-IV
Cluster
I4
Ligand
No
Protein
Yes

Pocket alignment
Uniprot sequence:HKLGGGQYGEVYEVAVKTLEFLKEAAVMKEIKPNLVQLLGVYIITEFMTYGNLLDYLREYLEKKNFIHRDLAARNCLVVADFGLS
Sequence structure:HKLGGGQYGEVYEVAVKTLEFLKEAAVMKEIKPNLVQLLGVYIIIEFMTYGNLLDYLREYLEKKNFIHRDLAARNCLVVADFGLS

Ligand affinity
ChEMBL ID:CHEMBL1171837
Bioaffinities: 21 records for 8 kinases
Species Kinase (ChEMBL naming) Median Min Max Type Records
Homo sapiensFibroblast growth factor receptor 19.29.29.2pIC501
Homo sapiensStem cell growth factor receptor8.88.88.8pIC501
Homo sapiensTyrosine-protein kinase ABL98.19.5pIC5012
Homo sapiensTyrosine-protein kinase receptor FLT39.59.59.5pIC501
Homo sapiensTyrosine-protein kinase receptor RET7.57.57.6pIC502
Gallus gallusTyrosine-protein kinase SRC9.19.19.1pIC501
Homo sapiensTyrosine-protein kinase SRC8.58.58.5pIC501
Homo sapiensVascular endothelial growth factor receptor 28.48.48.8pIC502


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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