ABL proto-oncogene 1, non-receptor tyrosine kinase
Kinase structure
Kinase:ABL1
Family:Abl
Group:TK
Species:HUMAN
IUPHAR/BPS ID:1923
PDB:3CS9
sc-PDB:
KIDFamMap:Search
Release date:2008-04-22
PubMed: 15710326
Chain:A
(Alternate) Model:B
Orthosteric ligand:NIL
2D structure of the orthosteric ligand
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The orthosteric binding pocket


More entries for 3CS9
3CS9Alternative model: AChain: A
3CS9Alternative model: AChain: B
3CS9Alternative model: AChain: C
3CS9Alternative model: AChain: D
3CS9Alternative model: BChain: B
3CS9Alternative model: BChain: C
3CS9Alternative model: BChain: D


Structural information
DFG conformation:out
αC-helix conformation:out
G-rich loop angle (distance):63.4° (18.7Å)
G-rich loop rotation:15.3°
Quality Score:7.6
Resolution:2.21 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-V
Cluster
I1
I4
O1
Ligand
No
No
Yes
Protein
Yes
Yes
No

Pocket alignment
Uniprot sequence:HKLGGGQYGEVYEVAVKTLEFLKEAAVMKEIKPNLVQLLGVYIITEFMTYGNLLDYLREYLEKKNFIHRDLAARNCLVVADFGLS
Sequence structure:HKLGGGQYGEVYEVAVKTLEFLKEAAVMKEIKPNLVQLLGVYIITEFMTYGNLLDYLREYLEKKNFIHRDLAARNCLVVADFGLS

Ligand affinity
ChEMBL ID:CHEMBL255863
Bioaffinities: 110 records for 52 kinases
Species Kinase (ChEMBL naming) Median Min Max Type Records
Homo sapiensc-Jun N-terminal kinase 16.46.46.4pKd1
Homo sapiensc-Jun N-terminal kinase 25.25.25.2pKd1
Homo sapiensc-Jun N-terminal kinase 35.75.75.7pKd1
Homo sapiensDiscoidin domain-containing receptor 27.378.7pIC504
Homo sapiensDiscoidin domain-containing receptor 27.57.18.2pKd4
Homo sapiensDual specificity mitogen-activated protein kinase kinase 56.76.76.7pKd1
Homo sapiensDual specificity protein kinase CLK45.25.25.2pKd1
Homo sapiensDual specificty protein kinase CLK15.75.75.7pKd1
Homo sapiensEphrin type-A receptor 16.26.26.2pKd1
Homo sapiensEphrin type-A receptor 26.66.66.6pKd1
Homo sapiensEphrin type-A receptor 3777pKd1
Homo sapiensEphrin type-A receptor 46.56.56.5pKd1
Homo sapiensEphrin type-A receptor 55.75.75.7pKd1
Homo sapiensEphrin type-A receptor 66.26.26.2pKd1
Homo sapiensEphrin type-A receptor 87.47.47.4pKd1
Homo sapiensEphrin type-B receptor 15.95.95.9pKd1
Homo sapiensEphrin type-B receptor 26.26.26.2pKd1
Homo sapiensEphrin type-B receptor 3666pKd1
Homo sapiensEphrin type-B receptor 46.16.16.1pKd1
Homo sapiensEpithelial discoidin domain-containing receptor 17.57.48.4pIC503
Homo sapiensEpithelial discoidin domain-containing receptor 1999pKd1
Homo sapiensMacrophage colony stimulating factor receptor6.26.26.2pIC501
Homo sapiensMacrophage colony stimulating factor receptor7.47.47.4pKd1
Homo sapiensMAP kinase p38 alpha6.36.36.3pKd2
Homo sapiensMAP kinase p38 beta7.47.47.4pKd1
Homo sapiensMitogen-activated protein kinase kinase kinase kinase 16.16.16.1pKd1
Homo sapiensMixed lineage kinase 7888pKd1
Homo sapiensNeurotrophic tyrosine kinase receptor type 26.36.36.3pKd1
Homo sapiensNT-3 growth factor receptor6.26.26.2pKd1
Homo sapiensPlatelet-derived growth factor receptor alpha7.27.27.2pIC501
Homo sapiensPlatelet-derived growth factor receptor alpha6.86.87.1pKd2
Homo sapiensPlatelet-derived growth factor receptor beta7.27.27.2pIC502
Homo sapiensPlatelet-derived growth factor receptor beta7.17.17.8pKd2
Homo sapiensSerine/threonine-protein kinase 105.25.25.2pKd1
Homo sapiensSerine/threonine-protein kinase B-raf5.85.86.2pKd2
Homo sapiensSerine/threonine-protein kinase MRCK beta666pKd1
Homo sapiensSerine/threonine-protein kinase RAF666pIC501
Homo sapiensSerine/threonine-protein kinase RAF5.45.45.4pKd1
Homo sapiensSerine/threonine-protein kinase TAO15.35.35.3pKd1
Homo sapiensSerine/threonine-protein kinase TAO35.85.85.8pKd1
Homo sapiensSerine/threonine-protein kinase TNNI3K6.46.46.4pKd1
Homo sapiensStem cell growth factor receptor6.86.77.8pIC503
Homo sapiensStem cell growth factor receptor7.36.17.8pKd9
Homo sapiensTyrosine-protein kinase ABL7.56.27.9pIC5010
Homo sapiensTyrosine-protein kinase ABL7.96.28.4pKd15
Homo sapiensTyrosine-protein kinase ABL27.67.67.6pKd1
Homo sapiensTyrosine-protein kinase BLK6.36.36.3pKd1
Homo sapiensTyrosine-protein kinase CSK5.65.65.6pKd1
Homo sapiensTyrosine-protein kinase FGR6.56.56.5pKd1
Homo sapiensTyrosine-protein kinase FRK7.17.17.1pKd1
Homo sapiensTyrosine-protein kinase FYN5.85.85.8pKd1
Homo sapiensTyrosine-protein kinase HCK6.46.46.4pKd1
Homo sapiensTyrosine-protein kinase LCK777pIC501
Homo sapiensTyrosine-protein kinase LCK7.37.37.3pKd1
Homo sapiensTyrosine-protein kinase Lyn5.95.95.9pIC501
Homo sapiensTyrosine-protein kinase Lyn777pKd1
Homo sapiensTyrosine-protein kinase receptor FLT3555pIC501
Homo sapiensTyrosine-protein kinase receptor FLT34.44.44.4pKd1
Homo sapiensTyrosine-protein kinase receptor RET666.1pKd2
Homo sapiensTyrosine-protein kinase receptor Tie-1666pKd1
Homo sapiensTyrosine-protein kinase SRC5.75.75.7pKd1
Homo sapiensTyrosine-protein kinase TIE-2666pKd1
Homo sapiensTyrosine-protein kinase YES666pKd1


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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