Dual specificity tyrosine phosphorylation regulated kinase 1A
Kinase structure
Kinase:DYRK1A
Family:DYRK
Group:CMGC
Species:HUMAN
IUPHAR/BPS ID:2009
PDB:4NCT
sc-PDB:
KIDFamMap:Search
Release date:2015-04-01
PubMed: 25945585
Chain:B
Orthosteric ligand:2K2
2D structure of the orthosteric ligand
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The orthosteric binding pocket


More entries for 4NCT
4NCTChain: A
4NCTChain: C
4NCTChain: D


Structural information
DFG conformation:in
αC-helix conformation:in
G-rich loop angle (distance):57.1° (17.7Å)
G-rich loop rotation:58.7°
Quality Score:8
Resolution:2.6 Å
Missing Residues:0
Missing Atoms:0
Ligand binding mode
PocketsSubpocketsWaters
front
FP-II
Cluster
I4
Ligand
No
Protein
Yes

Pocket alignment
Uniprot sequence:SLIGKGSFGQVVKVAIKIIQAQIEVRLLELMNYYIVHLKRHCLVFEMLS-YNLYDLLRNATPELSIIHCDLKPENILLIVDFGSS
Sequence structure:SLIGKGSFGQVVKVAIKIIQAQIEVRLLELMNYYIVHLKRHCLVFEMLS_YNLYDLLRNATPELSIIHCDLKPENILLIVDFGSS

Ligand affinity
ChEMBL ID:CHEMBL608533
Bioaffinities: 637 records for 197 kinases
Species Kinase (ChEMBL naming) Median Min Max Type Records
Homo sapiens3-phosphoinositide dependent protein kinase-16.76.77pKd3
Homo sapiensAdaptor-associated kinase7.37.37.3pKd3
Homo sapiensALK tyrosine kinase receptor6.66.66.6pKd3
Homo sapiensAMP-activated protein kinase, alpha-1 subunit6.86.86.8pKd3
Homo sapiensAMP-activated protein kinase, alpha-2 subunit6.36.36.3pKd3
Homo sapiensBMP-2-inducible protein kinase6.76.76.7pKd3
Homo sapiensBR serine/threonine-protein kinase 15.95.95.9pKd3
Homo sapiensBR serine/threonine-protein kinase 26.26.26.2pKd3
Plasmodium falciparum (isolate 3D7)Calcium-dependent protein kinase 1666pKd1
Homo sapiensCaM kinase I alpha5.75.75.7pKd3
Homo sapiensCaM kinase I delta6.26.26.2pKd3
Homo sapiensCaM kinase I gamma5.85.85.8pKd2
Homo sapiensCaM kinase II alpha7.77.77.7pKd3
Homo sapiensCaM kinase II beta6.76.76.7pKd3
Homo sapiensCaM kinase II delta7.47.47.4pKd3
Homo sapiensCaM kinase II gamma6.95.86.9pKd4
Homo sapiensCaM-kinase kinase alpha6.96.96.9pKd3
Homo sapiensCaM-kinase kinase beta7.17.17.1pKd3
Homo sapienscAMP-dependent protein kinase alpha-catalytic subunit6.16.16.1pKd2
Homo sapienscAMP-dependent protein kinase beta-1 catalytic subunit6.66.66.6pKd3
Homo sapiensCasein kinase II alpha6.66.66.6pKd2
Homo sapiensCell division cycle 2-like protein kinase 65.15.15.1pKd3
Homo sapienscGMP-dependent protein kinase 1 beta6.66.66.6pKd3
Homo sapienscGMP-dependent protein kinase 27.17.17.1pKd3
Homo sapiensc-Jun N-terminal kinase 15.45.45.4pKd3
Homo sapiensc-Jun N-terminal kinase 25.35.35.3pKd1
Homo sapiensc-Jun N-terminal kinase 35.45.45.4pKd3
Homo sapiensDeath-associated protein kinase 15.35.35.3pKd3
Homo sapiensDeath-associated protein kinase 26.16.16.1pKd3
Homo sapiensDeath-associated protein kinase 35.85.85.8pKd3
Homo sapiensDual specificity mitogen-activated protein kinase kinase 35.35.35.3pKd3
Homo sapiensDual specificity mitogen-activated protein kinase kinase 45.35.35.3pKd3
Homo sapiensDual specificity mitogen-activated protein kinase kinase 65.25.25.2pKd1
Homo sapiensDual specificity protein kinase CLK26.16.16.1pKd3
Homo sapiensDual specificity protein kinase CLK35.45.45.4pKd1
Homo sapiensDual specificity protein kinase CLK46.46.46.4pKd3
Homo sapiensDual specificity protein kinase TTK6.56.56.5pKd3
Homo sapiensDual-specificity tyrosine-phosphorylation regulated kinase 1A777pKd2
Homo sapiensDual specificity tyrosine-phosphorylation-regulated kinase 1B6.56.56.5pKd3
Homo sapiensDual specificty protein kinase CLK16.56.56.5pKd3
Homo sapiensEpidermal growth factor receptor erbB15.85.28.1pKd28
Homo sapiensEpithelial discoidin domain-containing receptor 15.15.15.1pKd3
Homo sapiensEukaryotic translation initiation factor 2-alpha kinase 47.47.47.4pKd3
Homo sapiensFibroblast growth factor receptor 15.85.85.8pKd3
Homo sapiensFibroblast growth factor receptor 25.65.65.6pKd3
Homo sapiensFibroblast growth factor receptor 35.85.85.8pKd3
Homo sapiensGlycogen synthase kinase-3 alpha5.65.65.6pKd3
Homo sapiensGlycogen synthase kinase-3 beta5.85.85.8pKd3
Homo sapiensG protein-coupled receptor kinase 4777pKd2
Homo sapiensG protein-coupled receptor kinase 77.37.37.3pKd2
Homo sapiensHepatocyte growth factor receptor6.25.76.3pKd7
Homo sapiensHomeodomain-interacting protein kinase 25.55.55.5pKd2
Homo sapiensHomeodomain-interacting protein kinase 35.65.65.6pKd2
Homo sapiensHomeodomain-interacting protein kinase 4666pKd2
Homo sapiensHormonally up-regulated neu tumor-associated kinase6.66.66.6pKd2
Homo sapiensInhibitor of nuclear factor kappa B kinase alpha subunit5.45.45.4pKd2
Homo sapiensInhibitor of nuclear factor kappa B kinase beta subunit5.25.25.2pKd1
Homo sapiensInhibitor of nuclear factor kappa B kinase epsilon subunit6.86.86.8pKd3
Homo sapiensInterferon-induced, double-stranded RNA-activated protein kinase5.25.25.2pKd3
Homo sapiensInterleukin-1 receptor-associated kinase 36.86.86.8pKd3
Homo sapiensLeucine-rich repeat serine/threonine-protein kinase 26.26.26.8pKd2
Homo sapiensLeukocyte tyrosine kinase receptor5.55.55.5pKd3
Homo sapiensMacrophage colony stimulating factor receptor6.96.96.9pIC501
Homo sapiensMacrophage colony stimulating factor receptor6.56.56.5pKd3
Homo sapiensMAP kinase signal-integrating kinase 2666pKd3
Homo sapiensMAP/microtubule affinity-regulating kinase 2777pKd3
Homo sapiensMAP/microtubule affinity-regulating kinase 46.46.46.4pKd3
Homo sapiensMaternal embryonic leucine zipper kinase6.66.66.6pKd3
Homo sapiensMicrotubule-associated serine/threonine-protein kinase 16.76.76.7pKd1
Homo sapiensMisshapen-like kinase 16.86.86.8pKd2
Homo sapiensMitogen-activated protein kinase kinase kinase 106.16.16.1pKd2
Homo sapiensMitogen-activated protein kinase kinase kinase 117.86.17.8pKd4
Homo sapiensMitogen-activated protein kinase kinase kinase 135.65.65.6pKd2
Homo sapiensMitogen-activated protein kinase kinase kinase 26.96.96.9pKd2
Homo sapiensMitogen-activated protein kinase kinase kinase 36.76.76.7pKd2
Homo sapiensMitogen-activated protein kinase kinase kinase 76.96.96.9pKd2
Homo sapiensMitogen-activated protein kinase kinase kinase 97.87.87.8pKd3
Homo sapiensMitogen-activated protein kinase kinase kinase kinase 15.75.75.7pKd3
Homo sapiensMitogen-activated protein kinase kinase kinase kinase 25.65.65.6pKd2
Homo sapiensMitogen-activated protein kinase kinase kinase kinase 36.96.96.9pKd3
Homo sapiensMitogen-activated protein kinase kinase kinase kinase 46.26.26.2pKd3
Homo sapiensMitogen-activated protein kinase kinase kinase kinase 5666pKd3
Homo sapiensMyosin light chain kinase5.65.65.6pKd1
Homo sapiensMyosin light chain kinase family member 46.26.26.2pKd3
Homo sapiensMyosin light chain kinase, smooth muscle5.75.76.7pKd3
Homo sapiensMyotonin-protein kinase5.45.45.4pKd3
Homo sapiensNerve growth factor receptor Trk-A6.46.46.4pKd3
Homo sapiensNeurotrophic tyrosine kinase receptor type 26.56.56.5pKd3
Homo sapiensNon-receptor tyrosine-protein kinase TNK17.17.17.1pKd3
Homo sapiensNT-3 growth factor receptor5.85.85.8pKd3
Homo sapiensNUAK family SNF1-like kinase 17.47.47.4pKd3
Homo sapiensNUAK family SNF1-like kinase 27.27.27.2pKd3
Homo sapiensPhosphatidylinositol-4-phosphate 5-kinase type-1 alpha6.56.56.5pKd3
Homo sapiensPhosphatidylinositol-5-phosphate 4-kinase type-2 beta6.66.66.6pKd3
Homo sapiensPhosphorylase kinase gamma subunit 16.16.16.7pKd3
Homo sapiensPhosphorylase kinase gamma subunit 25.95.96.1pKd3
Homo sapiensPlatelet-derived growth factor receptor alpha6.46.46.8pKd3
Homo sapiensPlatelet-derived growth factor receptor beta76.47pKd3
Homo sapiensProtein kinase C alpha6.16.16.1pKd1
Homo sapiensProtein kinase C delta6.56.56.5pKd3
Homo sapiensProtein kinase C epsilon6.36.36.3pKd3
Homo sapiensProtein kinase C eta6.56.56.5pKd3
Homo sapiensProtein kinase C nu5.55.55.5pKd3
Homo sapiensProtein kinase C theta666pKd3
Homo sapiensProtein kinase N1888pKd3
Homo sapiensProtein kinase N27.87.87.8pKd3
Homo sapiensProtein tyrosine kinase 2 beta6.26.26.2pKd3
Homo sapiensProto-oncogene tyrosine-protein kinase MER5.55.55.5pKd3
Homo sapiensProto-oncogene tyrosine-protein kinase ROS6.46.46.4pKd3
Homo sapiensReceptor protein-tyrosine kinase erbB-45.55.55.5pKd2
Homo sapiensRho-associated protein kinase 15.15.15.1pKd2
Homo sapiensRho-associated protein kinase 25.65.65.6pKd2
Homo sapiensRhodopsin kinase7.17.17.1pKd2
Homo sapiensRibosomal protein S6 kinase 15.95.95.9pKd1
Homo sapiensRibosomal protein S6 kinase alpha 16.26.16.6pKd8
Homo sapiensRibosomal protein S6 kinase alpha 26.16.16.6pKd6
Homo sapiensRibosomal protein S6 kinase alpha 36.16.16.1pKd4
Homo sapiensRibosomal protein S6 kinase alpha 46.66.26.6pKd6
Homo sapiensRibosomal protein S6 kinase alpha 56.66.16.6pKd6
Homo sapiensRibosomal protein S6 kinase alpha 65.85.85.8pKd6
Homo sapiensSerine/threonine-protein kinase 106.26.26.2pKd3
Homo sapiensSerine/threonine-protein kinase 116.56.56.5pKd3
Homo sapiensSerine/threonine-protein kinase 166.66.66.6pKd3
Homo sapiensSerine/threonine-protein kinase 17A5.75.75.7pKd3
Homo sapiensSerine/threonine-protein kinase 17B5.35.35.3pKd3
Homo sapiensSerine/threonine-protein kinase 26.76.76.7pKd3
Homo sapiensSerine/threonine-protein kinase 255.85.85.8pKd3
Homo sapiensSerine/threonine-protein kinase 32A5.65.65.6pKd1
Homo sapiensSerine/threonine-protein kinase 336.76.76.7pKd1
Homo sapiensSerine/threonine-protein kinase AKT666pKd3
Homo sapiensSerine/threonine-protein kinase AKT26.16.16.1pKd3
Homo sapiensSerine/threonine-protein kinase AKT35.45.45.4pKd1
Homo sapiensSerine/threonine-protein kinase Aurora-A7.17.17.1pIC501
Homo sapiensSerine/threonine-protein kinase Aurora-A6.96.97.7pKd4
Homo sapiensSerine/threonine-protein kinase Aurora-B7.27.27.2pKd3
Homo sapiensSerine/threonine-protein kinase Aurora-C6.86.86.8pKd3
Homo sapiensSerine/threonine-protein kinase Chk15.95.95.9pKd3
Homo sapiensSerine/threonine-protein kinase c-TAK17.77.77.7pKd3
Homo sapiensSerine/threonine-protein kinase D25.25.25.2pKd3
Homo sapiensSerine/threonine-protein kinase GAK6.46.46.4pKd3
Homo sapiensSerine/threonine-protein kinase ICK5.25.25.2pKd1
Homo sapiensSerine/threonine-protein kinase LATS1666pKd3
Homo sapiensSerine/threonine-protein kinase LATS25.75.75.7pKd3
Homo sapiensSerine/threonine-protein kinase MARK16.86.86.8pKd3
Homo sapiensSerine/threonine-protein kinase MST17.47.47.8pKd3
Homo sapiensSerine/threonine-protein kinase MST26.76.77.4pKd3
Homo sapiensSerine/threonine-protein kinase PAK 15.75.75.7pKd3
Homo sapiensSerine/threonine-protein kinase PAK 25.55.55.7pKd3
Homo sapiensSerine/threonine-protein kinase PAK 36.85.56.8pKd3
Homo sapiensSerine/threonine-protein kinase PIM16.36.36.3pKd3
Homo sapiensSerine/threonine-protein kinase PIM25.55.55.5pKd1
Homo sapiensSerine/threonine-protein kinase PIM36.36.36.3pKd3
Homo sapiensSerine/threonine-protein kinase PLK47.27.27.2pKd3
Homo sapiensSerine/threonine-protein kinase PRKX666pKd3
Homo sapiensSerine/threonine-protein kinase PRP4 homolog7.37.37.3pKd1
Homo sapiensSerine/threonine-protein kinase RIO15.95.95.9pKd3
Homo sapiensSerine/threonine-protein kinase RIO2777pKd2
Homo sapiensSerine/threonine-protein kinase RIO36.46.46.4pKd3
Homo sapiensSerine/threonine-protein kinase Sgk35.95.95.9pKd1
Homo sapiensSerine/threonine-protein kinase SIK16.86.86.8pKd3
Homo sapiensSerine/threonine-protein kinase SIK26.36.36.3pKd3
Homo sapiensSerine/threonine-protein kinase SIK3777pKd2
Homo sapiensSerine/threonine-protein kinase SRPK17.47.47.4pKd3
Homo sapiensSerine/threonine-protein kinase SRPK26.56.56.5pKd3
Homo sapiensSerine/threonine-protein kinase SRPK37.17.17.1pKd2
Homo sapiensSerine/threonine-protein kinase TBK1888pKd2
Homo sapiensSerine/threonine-protein kinase ULK35.95.95.9pKd2
Homo sapiensSerine/threonine-protein kinase WEE15.35.35.3pKd1
Homo sapiensSPS1/STE20-related protein kinase YSK47.87.87.8pKd2
Homo sapiensStem cell growth factor receptor6.85.88.1pKd21
Homo sapiensTestis-specific serine/threonine-protein kinase 15.35.35.3pKd3
Homo sapiensTRAF2- and NCK-interacting kinase5.85.85.8pKd3
Homo sapiensTyrosine kinase non-receptor protein 26.96.96.9pKd2
Homo sapiensTyrosine-protein kinase ABL5.55.36.1pKd6
Homo sapiensTyrosine-protein kinase BLK6.36.36.3pKd3
Homo sapiensTyrosine-protein kinase CSK5.15.15.1pKd3
Homo sapiensTyrosine-protein kinase FER5.95.95.9pKd3
Homo sapiensTyrosine-protein kinase FGR6.16.16.1pKd3
Homo sapiensTyrosine-protein kinase FRK5.65.65.6pKd3
Homo sapiensTyrosine-protein kinase FYN5.75.75.7pKd3
Homo sapiensTyrosine-protein kinase HCK6.16.16.1pKd3
Homo sapiensTyrosine-protein kinase JAK16.26.26.2pKd4
Homo sapiensTyrosine-protein kinase JAK2777pKd6
Homo sapiensTyrosine-protein kinase JAK37.97.97.9pKd6
Homo sapiensTyrosine-protein kinase LCK6.66.66.6pKd3
Homo sapiensTyrosine-protein kinase Lyn5.45.45.4pKd3
Homo sapiensTyrosine-protein kinase receptor FLT37.87.47.9pIC503
Homo sapiensTyrosine-protein kinase receptor FLT387.88.7pKd19
Homo sapiensTyrosine-protein kinase receptor RET6.96.57.7pKd10
Homo sapiensTyrosine-protein kinase receptor Tie-15.95.95.9pKd3
Homo sapiensTyrosine-protein kinase receptor UFO6.26.26.2pKd3
Homo sapiensTyrosine-protein kinase SRC5.95.95.9pKd3
Homo sapiensTyrosine-protein kinase SYK7.17.17.1pKd3
Homo sapiensTyrosine-protein kinase TIE-25.75.75.7pKd3
Homo sapiensTyrosine-protein kinase TYK26.66.66.6pKd6
Homo sapiensTyrosine-protein kinase YES666pKd3
Homo sapiensTyrosine-protein kinase ZAP-705.65.65.6pKd3
Homo sapiensVascular endothelial growth factor receptor 16.46.46.4pKd3
Homo sapiensVascular endothelial growth factor receptor 26.66.66.6pIC501
Homo sapiensVascular endothelial growth factor receptor 25.55.55.5pKd3
Homo sapiensVascular endothelial growth factor receptor 36.26.26.2pKd3


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 S
163
2 L
164
3 I
165
4 G
166
5 K
167
6 G
168
7 S
169
8 F
170
9 G
171
10 Q
172
11 V
173
12 V
174
13 K
175
14 V
185
15 A
186
16 I
187
17 K
188
18 I
189
19 I
190
20 Q
199
αC b.l IV
21 A
200
22 Q
201
23 I
202
24 E
203
25 V
204
26 R
205
27 L
206
28 L
207
29 E
208
30 L
209
31 M
210
32 N
211
33 Y
219
34 Y
220
35 I
221
36 V
222
37 H
223
38 L
224
39 K
225
40 R
226
IV V GK hinge linker αD αE
41 H
227
42 C
235
43 L
236
44 V
237
45 F
238
46 E
239
47 M
240
48 L
241
49 S
242
50 _
_
51 Y
243
52 N
244
53 L
245
54 Y
246
55 D
247
56 L
248
57 L
249
58 R
250
59 N
251
60 A
277
αE VI c.l VII VIII x
61 T
278
62 P
279
63 E
280
64 L
281
65 S
282
66 I
283
67 I
284
68 H
285
69 C
286
70 D
287
71 L
288
72 K
289
73 P
290
74 E
291
75 N
292
76 I
293
77 L
294
78 L
295
79 I
305
80 V
306
DFG a.l
81 D
307
82 F
308
83 G
309
84 S
310
85 S
311

Interaction pattern search
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