C-abl oncogene 1, non-receptor tyrosine kinase
Kinase structure
Kinase:Abl1 (ABL1)
Family:Abl
Group:TK
Species:MOUSE
PDB:3K5V
sc-PDB:
KIDFamMap:Search
Release date:2010-01-19
PubMed: 20072125
Chain:A
(Alternate) Model:B
Orthosteric ligand:STI
2D structure of the orthosteric ligand
Click to open a 3D viewer
The orthosteric binding pocket


More entries for 3K5V
3K5VAlternative model: AChain: A
3K5VAlternative model: AChain: B
3K5VAlternative model: BChain: B


Structural information
DFG conformation:out
αC-helix conformation:out
G-rich loop angle (distance):62.9° (18.7Å)
G-rich loop rotation:12.7°
Quality Score:7.6
Resolution:1.74 Å
Missing Residues:0
Missing Atoms:0
Ligand binding mode
PocketsSubpocketsWaters
front
gate
back
BP-I-A
BP-I-B
BP-II-out
BP-IV
Cluster
I1
I4
I9
I10
O1
Ligand
No
No
No
No
Yes
Protein
Yes
Yes
Yes
Yes
No

Allosteric Ligand
Allosteric ligand:STJ
2D structure of the allostericligand
Pocket alignment
Uniprot sequence:HKLGGGQYGEVYEVAVKTLEFLKEAAVMKEIKPNLVQLLGVYIITEFMTYGNLLDYLREYLEKKNFIHRDLAARNCLVVADFGLS
Sequence structure:HKLGGGQYGEVYEVAVKTLEFLKEAAVMKEIKPNLVQLLGVYIITEFMTYGNLLDYLREYLEKKNFIHRDLAARNCLVVADFGLS

Ligand affinity
ChEMBL ID:CHEMBL941
Bioaffinities: 214 records for 41 kinases
Species Kinase (ChEMBL naming) Median Min Max Type Records
Homo sapiensCell division cycle 2-like protein kinase 65.35.35.3pKd2
Homo sapiensc-Jun N-terminal kinase 15.35.35.5pKd3
Homo sapiensc-Jun N-terminal kinase 25.35.35.3pKd1
Homo sapiensc-Jun N-terminal kinase 35.55.55.5pKd3
Homo sapiensc-Jun N-terminal kinase 3666pKi1
Homo sapiensDiscoidin domain-containing receptor 26.26.26.9pIC502
Homo sapiensDiscoidin domain-containing receptor 27.87.87.8pKd2
Homo sapiensDual specificity protein kinase CLK45.75.45.7pKd3
Homo sapiensDual specificity protein kinase CLK45.95.95.9pKi1
Homo sapiensDual specificty protein kinase CLK15.45.45.4pKd3
Homo sapiensEphrin type-A receptor 85.95.75.9pKd3
Homo sapiensEpidermal growth factor receptor erbB15.15.15.1pKd2
Homo sapiensEpithelial discoidin domain-containing receptor 16.54.57.4pIC503
Homo sapiensEpithelial discoidin domain-containing receptor 19.29.29.2pKd2
Homo sapiensHomeodomain-interacting protein kinase 4666pKd1
Homo sapiensInterleukin-1 receptor-associated kinase 15.95.95.9pKd1
Homo sapiensInterleukin-1 receptor-associated kinase 15.15.15.1pKi1
Homo sapiensMacrophage colony stimulating factor receptor65.96.5pIC503
Homo sapiensMacrophage colony stimulating factor receptor7.77.78pKd2
Homo sapiensMacrophage colony stimulating factor receptor6.86.86.8pKi1
Homo sapiensMAP kinase p38 alpha444.9pIC502
Homo sapiensMaternal embryonic leucine zipper kinase5.75.75.7pKd2
Homo sapiensMixed lineage kinase 75.65.65.6pKd2
Homo sapiensPlatelet-derived growth factor receptor alpha7.17.17.1pEC501
Homo sapiensPlatelet-derived growth factor receptor alpha7.16.88.7pIC505
Homo sapiensPlatelet-derived growth factor receptor alpha7.57.57.5pKd2
Homo sapiensPlatelet-derived growth factor receptor alpha6.86.86.8pKi1
Homo sapiensPlatelet-derived growth factor receptor beta6.66.47.1pIC504
Homo sapiensPlatelet-derived growth factor receptor beta7.97.67.9pKd3
Homo sapiensPlatelet-derived growth factor receptor beta7.37.37.3pKi1
Homo sapiensSerine/threonine-protein kinase 17A5.35.35.6pKd3
Homo sapiensSerine/threonine-protein kinase B-raf5.55.55.5pKd2
Homo sapiensSerine/threonine-protein kinase GAK65.46pKd3
Homo sapiensSerine/threonine-protein kinase PLK45.15.15.1pKd3
Homo sapiensSerine/threonine-protein kinase RAF5.85.85.8pKd2
Homo sapiensSerine/threonine-protein kinase TAO15.45.45.4pKi1
Homo sapiensSerine/threonine-protein kinase TNNI3K5.45.45.4pKd2
Homo sapiensStem cell growth factor receptor777pEC501
Homo sapiensStem cell growth factor receptor757.7pIC5019
Homo sapiensStem cell growth factor receptor75.57.9pKd16
Homo sapiensTyrosine-protein kinase ABL6.74.17.7pIC5030
Homo sapiensTyrosine-protein kinase ABL7.45.29pKd26
Homo sapiensTyrosine-protein kinase ABL7.45.27.9pKi6
Mus musculusTyrosine-protein kinase ABL888pIC501
Homo sapiensTyrosine-protein kinase ABL286.38.2pKd5
Homo sapiensTyrosine-protein kinase BLK6.36.36.3pKd2
Homo sapiensTyrosine-protein kinase FGR5.65.65.6pKd2
Homo sapiensTyrosine-protein kinase FRK5.85.55.8pKd3
Homo sapiensTyrosine-protein kinase FRK6.56.56.5pKi1
Homo sapiensTyrosine-protein kinase FYN5.55.35.5pKd3
Homo sapiensTyrosine-protein kinase LCK6.56.56.8pIC503
Homo sapiensTyrosine-protein kinase LCK7.47.27.4pKd3
Homo sapiensTyrosine-protein kinase LCK6.56.56.5pKi1
Homo sapiensTyrosine-protein kinase Lyn6.76.76.7pIC501
Homo sapiensTyrosine-protein kinase Lyn6.16.16.1pKd1
Homo sapiensTyrosine-protein kinase Lyn6.76.76.7pKi1
Homo sapiensTyrosine-protein kinase receptor FLT35.25.25.2pKd1
Gallus gallusTyrosine-protein kinase SRC5.65.65.6pIC501
Homo sapiensTyrosine-protein kinase SRC4.54.54.5pKi3
Homo sapiensTyrosine-protein kinase SYK5.35.35.3pIC501
Homo sapiensTyrosine-protein kinase SYK5.35.35.3pKi1
Homo sapiensTyrosine-protein kinase TYK25.15.15.1pKd2
Homo sapiensVascular endothelial growth factor receptor 24.64.64.6pIC501


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
265
2 K
266
3 L
267
4 G
268
5 G
269
6 G
270
7 Q
271
8 Y
272
9 G
273
10 E
274
11 V
275
12 Y
276
13 E
277
14 V
287
15 A
288
16 V
289
17 K
290
18 T
291
19 L
292
20 E
301
αC b.l IV
21 F
302
22 L
303
23 K
304
24 E
305
25 A
306
26 A
307
27 V
308
28 M
309
29 K
310
30 E
311
31 I
312
32 K
313
33 P
315
34 N
316
35 L
317
36 V
318
37 Q
319
38 L
320
39 L
321
40 G
322
IV V GK hinge linker αD αE
41 V
323
42 Y
331
43 I
332
44 I
333
45 T
334
46 E
335
47 F
336
48 M
337
49 T
338
50 Y
339
51 G
340
52 N
341
53 L
342
54 L
343
55 D
344
56 Y
345
57 L
346
58 R
347
59 E
348
60 Y
372
αE VI c.l VII VIII x
61 L
373
62 E
374
63 K
375
64 K
376
65 N
377
66 F
378
67 I
379
68 H
380
69 R
381
70 D
382
71 L
383
72 A
384
73 A
385
74 R
386
75 N
387
76 C
388
77 L
389
78 V
390
79 V
398
80 A
399
DFG a.l
81 D
400
82 F
401
83 G
402
84 L
403
85 S
404

Interaction pattern search
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