Calcium/calmodulin-dependent protein kinase kinase 2, beta
Kinase structure
Kinase:CAMKK2 (CaMKK2)
Family:CAMKK
Group:Other
Species:HUMAN
IUPHAR/BPS ID:1957
PDB:6BQL
sc-PDB:
KIDFamMap:Search
Release date:2017-12-13
Chain:A
Orthosteric ligand:BI9
2D structure of the orthosteric ligand
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The orthosteric binding pocket
Structural information
DFG conformation:in
αC-helix conformation:in
G-rich loop angle (distance):56.7° (17.5Å)
G-rich loop rotation:52.4°
Quality Score:9.2
Resolution:2 Å
Missing Residues:0
Missing Atoms:8
Ligand binding mode
PocketsSubpocketsWaters
front
Cluster
I2
Ligand
Yes
Protein
Yes

Pocket alignment
Uniprot sequence:DEIGKGSYGVVKLYAMKVLQVYQEIAILKKLDPNVVKLVEVYMVFELVNQGPVMEVPTLYLHYQKIIHRDIKPSNLLVIADFGVS
Sequence structure:DEIGKGSYGVVKLYAMKVLQVYQEIAILKKLDPNVVKLVEVYMVFELVNQGPVMEVPTLYLHYQKIIHRDIKPSNLLVIADFGVS

Ligand affinity
ChEMBL ID:CHEMBL458997
Bioaffinities: 112 records for 97 kinases
Species Kinase (ChEMBL naming) Median Min Max Type Records
Homo sapiens3-phosphoinositide dependent protein kinase-15.75.75.7pKi1
Homo sapiensALK tyrosine kinase receptor7.37.38.3pIC502
Homo sapiensALK tyrosine kinase receptor7.67.67.6pKi1
Homo sapiensAMP-activated protein kinase, alpha-1 subunit6.16.16.1pKi1
Homo sapiensBR serine/threonine-protein kinase 16.16.16.1pKi1
Homo sapiensCaM kinase II beta5.25.25.2pKi1
Homo sapiensCaM kinase II delta6.56.56.5pKi1
Homo sapiensCaM kinase II gamma6.16.16.1pKi1
Homo sapiensCaM-kinase kinase beta8.98.98.9pKi1
Homo sapiensCasein kinase I delta5.25.25.2pKi1
Homo sapiensCasein kinase II alpha777pKi1
Homo sapiensCell division cycle 7-related protein kinase6.56.56.5pKi1
Homo sapienscGMP-dependent protein kinase 1 beta5.95.95.9pKi1
Homo sapiensc-Jun N-terminal kinase 18.18.18.1pKi1
Homo sapiensc-Jun N-terminal kinase 27.47.47.4pIC501
Homo sapiensc-Jun N-terminal kinase 27.57.57.5pKi1
Homo sapiensc-Jun N-terminal kinase 37.97.97.9pIC501
Homo sapiensc-Jun N-terminal kinase 38.58.58.5pKi1
Homo sapiensCyclin-dependent kinase 16.16.16.1pKi1
Homo sapiensCyclin-dependent kinase 25.75.75.7pKi1
Homo sapiensCyclin-dependent kinase 55.55.55.5pKi1
Homo sapiensCyclin-dependent kinase 76.46.46.4pKi1
Homo sapiensDeath-associated protein kinase 3777pKi1
Homo sapiensDual specificity mitogen-activated protein kinase kinase 25.55.55.5pKi1
Homo sapiensDual specificity protein kinase CLK26.36.36.3pKi1
Homo sapiensDual specificity protein kinase CLK47.87.87.8pKi1
Homo sapiensDual-specificity tyrosine-phosphorylation regulated kinase 1A6.46.46.4pKi1
Homo sapiensDual specificity tyrosine-phosphorylation-regulated kinase 1B6.16.16.1pKi1
Homo sapiensDual-specificity tyrosine-phosphorylation regulated kinase 36.16.16.1pKi1
Homo sapiensDual specificity tyrosine-phosphorylation-regulated kinase 46.36.36.3pKi1
Homo sapiensEpidermal growth factor receptor erbB17.57.57.5pKi1
Homo sapiensFibroblast growth factor receptor 16.26.26.2pKi1
Homo sapiensFibroblast growth factor receptor 36.36.36.3pKi1
Homo sapiensFocal adhesion kinase 18.28.28.3pIC506
Homo sapiensFocal adhesion kinase 18.88.88.8pKi1
Homo sapiensHepatocyte growth factor receptor6.76.76.7pKi1
Homo sapiensHomeodomain-interacting protein kinase 26.56.56.5pKi1
Homo sapiensHomeodomain-interacting protein kinase 4777pKi1
Homo sapiensInsulin-like growth factor I receptor8.48.48.4pKi1
Homo sapiensInsulin receptor7.47.47.6pIC502
Homo sapiensInsulin receptor8.38.38.3pKi1
Homo sapiensInterleukin-1 receptor-associated kinase 16.36.36.3pKi1
Homo sapiensInterleukin-1 receptor-associated kinase 46.76.76.7pKi1
Homo sapiensLeucine-rich repeat serine/threonine-protein kinase 28.68.68.6pKi1
Homo sapiensLeukocyte tyrosine kinase receptor8.18.18.1pKi1
Homo sapiensLIM domain kinase 15.95.95.9pKi1
Homo sapiensMacrophage colony stimulating factor receptor5.85.85.8pKi1
Homo sapiensMacrophage-stimulating protein receptor6.16.16.1pKi1
Homo sapiensMAP kinase ERK26.66.66.6pKi1
Homo sapiensMAP kinase p38 alpha5.95.95.9pKi1
Homo sapiensMAP kinase signal-integrating kinase 25.95.95.9pKi1
Homo sapiensMAP/microtubule affinity-regulating kinase 46.46.46.4pKi1
Homo sapiensMaternal embryonic leucine zipper kinase6.56.56.5pKi1
Homo sapiensMisshapen-like kinase 15.35.35.3pKi1
Homo sapiensMitogen-activated protein kinase kinase kinase 106.56.56.5pKi1
Homo sapiensMitogen-activated protein kinase kinase kinase kinase 55.35.35.3pKi1
Homo sapiensPhosphorylase kinase gamma subunit 26.56.56.5pKi1
Homo sapiensPlatelet-derived growth factor receptor beta666pKi1
Homo sapiensProtein kinase C gamma5.15.15.1pKi1
Homo sapiensProtein kinase C nu6.56.56.5pKi1
Homo sapiensProto-oncogene tyrosine-protein kinase ROS8.38.38.3pKi1
Homo sapiensReceptor protein-tyrosine kinase erbB-27.27.27.2pKi1
Homo sapiensReceptor protein-tyrosine kinase erbB-47.17.17.1pKi1
Homo sapiensRibosomal protein S6 kinase 15.45.45.4pKi1
Homo sapiensRibosomal protein S6 kinase alpha 36.36.36.3pKi2
Homo sapiensSerine/threonine-protein kinase 17A5.45.45.4pKi1
Homo sapiensSerine/threonine-protein kinase 25.85.85.8pKi1
Homo sapiensSerine/threonine-protein kinase Aurora-A8.48.48.4pIC501
Homo sapiensSerine/threonine-protein kinase Aurora-A7.47.47.4pKi1
Homo sapiensSerine/threonine-protein kinase Aurora-B7.87.87.8pKi1
Homo sapiensSerine/threonine-protein kinase Chk1666pKi1
Homo sapiensSerine/threonine-protein kinase Chk26.56.56.5pKi1
Homo sapiensSerine/threonine-protein kinase c-TAK15.85.85.8pKi1
Homo sapiensSerine/threonine-protein kinase D2666pKi1
Homo sapiensSerine/threonine-protein kinase DCLK15.25.25.2pKi1
Homo sapiensSerine/threonine-protein kinase NEK25.65.65.6pKi1
Homo sapiensSerine/threonine-protein kinase Nek46.56.56.5pKi1
Homo sapiensSerine/threonine-protein kinase PAK 45.55.55.5pKi1
Homo sapiensSerine/threonine-protein kinase PIM35.95.95.9pKi1
Homo sapiensSerine/threonine-protein kinase PLK16.76.76.7pKi1
Homo sapiensSerine/threonine-protein kinase PLK35.75.75.7pKi1
Homo sapiensSerine/threonine-protein kinase PLK48.48.48.4pKi1
Homo sapiensSerine/threonine-protein kinase SIK26.26.26.2pKi1
Homo sapiensSerine/threonine-protein kinase SRPK1666pKi1
Homo sapiensSerine/threonine-protein kinase TAO15.55.55.5pKi1
Homo sapiensSerine/threonine-protein kinase TBK15.95.95.9pKi1
Homo sapiensTestis-specific serine/threonine-protein kinase 15.85.85.8pKi1
Homo sapiensTyrosine kinase non-receptor protein 27.47.47.4pKi1
Homo sapiensTyrosine-protein kinase BRK7.37.37.3pKi1
Homo sapiensTyrosine-protein kinase BTK6.36.36.3pKi1
Homo sapiensTyrosine-protein kinase FER888pKi1
Homo sapiensTyrosine-protein kinase FES6.96.96.9pKi1
Homo sapiensTyrosine-protein kinase FRK7.77.77.7pKi1
Homo sapiensTyrosine-protein kinase HCK5.85.85.8pKi1
Homo sapiensTyrosine-protein kinase ITK/TSK6.66.66.6pKi1
Homo sapiensTyrosine-protein kinase JAK26.16.16.1pKi2
Homo sapiensTyrosine-protein kinase LCK5.95.95.9pKi1
Homo sapiensTyrosine-protein kinase receptor FLT36.16.16.1pKi1
Homo sapiensTyrosine-protein kinase receptor RET6.46.46.4pKi1
Homo sapiensTyrosine-protein kinase Srms6.16.16.1pKi1
Homo sapiensTyrosine-protein kinase SYK5.95.95.9pKi1
Homo sapiensVascular endothelial growth factor receptor 15.85.85.8pKi1
Homo sapiensVascular endothelial growth factor receptor 26.36.36.3pKi1


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 D
169
2 E
170
3 I
171
4 G
172
5 K
173
6 G
174
7 S
175
8 Y
176
9 G
177
10 V
178
11 V
179
12 K
180
13 L
181
14 Y
191
15 A
192
16 M
193
17 K
194
18 V
195
19 L
196
20 Q
232
αC b.l IV
21 V
233
22 Y
234
23 Q
235
24 E
236
25 I
237
26 A
238
27 I
239
28 L
240
29 K
241
30 K
242
31 L
243
32 D
244
33 P
246
34 N
247
35 V
248
36 V
249
37 K
250
38 L
251
39 V
252
40 E
253
IV V GK hinge linker αD αE
41 V
254
42 Y
264
43 M
265
44 V
266
45 F
267
46 E
268
47 L
269
48 V
270
49 N
271
50 Q
272
51 G
273
52 P
274
53 V
275
54 M
276
55 E
277
56 V
278
57 P
279
58 T
280
59 L
281
60 Y
302
αE VI c.l VII VIII x
61 L
303
62 H
304
63 Y
305
64 Q
306
65 K
307
66 I
308
67 I
309
68 H
310
69 R
311
70 D
312
71 I
313
72 K
314
73 P
315
74 S
316
75 N
317
76 L
318
77 L
319
78 V
320
79 I
328
80 A
329
DFG a.l
81 D
330
82 F
331
83 G
332
84 V
333
85 S
334

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