ABL proto-oncogene 1, non-receptor tyrosine kinase
Kinase structure
Kinase:ABL1
Family:Abl
Group:TK
Species:HUMAN
IUPHAR/BPS ID:1923
PDB:5MO4
sc-PDB:
KIDFamMap:Search
Release date:2017-04-05
PubMed: 28329763
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 5MO4
5MO4Alternative model: AChain: A


Structural information
DFG conformation:out
αC-helix conformation:out
G-rich loop angle (distance):63.1° (19Å)
G-rich loop rotation:16°
Quality Score:8
Resolution:2.17 Å
Missing Residues:3
Missing Atoms:8
Ligand binding mode
PocketsSubpocketsWaters
front
gate
back
BP-I-A
BP-I-B
BP-II-out
BP-III
BP-V
Cluster
I1
I10
O1
Ligand
No
No
Yes
Protein
Yes
Yes
No

Allosteric Ligand
Allosteric ligand:AY7
2D structure of the allostericligand
Pocket alignment
Uniprot sequence:HKLGGGQYGEVYEVAVKTLEFLKEAAVMKEIKPNLVQLLGVYIITEFMTYGNLLDYLREYLEKKNFIHRDLAARNCLVVADFGLS
Sequence structure:HKLGGGQYGEVYEVAVKTLEFLKEAAVMKEIKPNLVQLLGVYIIIEFMTYGNLLDYLREYLEKKNFIHRNLAARNCLVVADF___

Ligand affinity
ChEMBL ID:CHEMBL255863
Bioaffinities: 113 records for 53 kinases
Species Kinase (ChEMBL naming) Median Min Max Type Records
Plasmodium falciparum (isolate 3D7)Calcium-dependent protein kinase 16.16.16.1pKd1
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 27.878.7pIC505
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 CLK15.75.75.7pKd2
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
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 I
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 N
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 _
_
84 _
_
85 _
_

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