ABL proto-oncogene 1, non-receptor tyrosine kinase
Kinase structure
Kinase:ABL1
Family:Abl
Group:TK
Species:HUMAN
IUPHAR/BPS ID:1923
PDB:2HIW
sc-PDB:
KIDFamMap:Search
Release date:2006-08-22
PubMed: 16873026
Chain:A
Orthosteric ligand:7MP
2D structure of the orthosteric ligand
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The orthosteric binding pocket


More entries for 2HIW
2HIWChain: B


Structural information
DFG conformation:out
αC-helix conformation:out
G-rich loop angle (distance):54.9° (16.6Å)
G-rich loop rotation:41.8°
Quality Score:8
Resolution:2.2 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
Cluster
I1
Ligand
No
Protein
Yes

Pocket alignment
Uniprot sequence:HKLGGGQYGEVYEVAVKTLEFLKEAAVMKEIKPNLVQLLGVYIITEFMTYGNLLDYLREYLEKKNFIHRDLAARNCLVVADFGLS
Sequence structure:HKLGGGQYGEVYEVAVKTLEFLKEAAVMKEIKPNLVQLLGVYIITEFMTYGNLLDYLREYLEKKNFIHRDLAARNCLVVADFGLS

Ligand affinity
ChEMBL ID:CHEMBL459850
Bioaffinities: 17 records for 16 kinases
Species Kinase (ChEMBL naming) Median Min Max Type Records
Homo sapiensEphrin type-A receptor 38.78.78.7pEC501
Homo sapiensEphrin type-B receptor 48.48.48.4pEC501
Homo sapiensFibroblast growth factor receptor 17.17.17.1pEC501
Homo sapiensFibroblast growth factor receptor 37.97.97.9pIC501
Homo sapiensNT-3 growth factor receptor7.57.57.5pEC501
Homo sapiensPlatelet-derived growth factor receptor alpha8.48.48.4pEC501
Homo sapiensPlatelet-derived growth factor receptor beta8.28.28.2pEC501
Homo sapiensStem cell growth factor receptor8.48.48.4pEC501
Homo sapiensTyrosine-protein kinase BMX7.57.57.5pEC501
Homo sapiensTyrosine-protein kinase BMX8.98.98.9pIC501
Homo sapiensTyrosine-protein kinase FES999pIC501
Homo sapiensTyrosine-protein kinase LCK8.38.38.3pEC501
Homo sapiensTyrosine-protein kinase receptor RET7.17.17.1pEC501
Homo sapiensTyrosine-protein kinase SRC7.97.97.9pEC501
Homo sapiensTyrosine-protein kinase TIE-26.76.76.7pEC501
Homo sapiensVascular endothelial growth factor receptor 16.66.66.6pEC501
Homo sapiensVascular endothelial growth factor receptor 27.77.77.7pEC501


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
264
2 K
265
3 L
266
4 G
267
5 G
268
6 G
269
7 Q
270
8 Y
271
9 G
272
10 E
273
11 V
274
12 Y
275
13 E
276
14 V
286
15 A
287
16 V
288
17 K
289
18 T
290
19 L
291
20 E
300
αC b.l IV
21 F
301
22 L
302
23 K
303
24 E
304
25 A
305
26 A
306
27 V
307
28 M
308
29 K
309
30 E
310
31 I
311
32 K
312
33 P
314
34 N
315
35 L
316
36 V
317
37 Q
318
38 L
319
39 L
320
40 G
321
IV V GK hinge linker αD αE
41 V
322
42 Y
330
43 I
331
44 I
332
45 T
333
46 E
334
47 F
335
48 M
336
49 T
337
50 Y
338
51 G
339
52 N
340
53 L
341
54 L
342
55 D
343
56 Y
344
57 L
345
58 R
346
59 E
347
60 Y
371
αE VI c.l VII VIII x
61 L
372
62 E
373
63 K
374
64 K
375
65 N
376
66 F
377
67 I
378
68 H
379
69 R
380
70 D
381
71 L
382
72 A
383
73 A
384
74 R
385
75 N
386
76 C
387
77 L
388
78 V
389
79 V
397
80 A
398
DFG a.l
81 D
399
82 F
400
83 G
401
84 L
402
85 S
403

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