AP2 associated kinase 1
Kinase structure
Kinase:AAK1
Family:NAK
Group:Other
Species:HUMAN
IUPHAR/BPS ID:1921
PDB:5TE0
sc-PDB:
KIDFamMap:Search
Release date:2016-11-02
Chain:A
Orthosteric ligand:XIN
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):58.5° (18.1Å)
G-rich loop rotation:35°
Quality Score:8.8
Resolution:1.9 Å
Missing Residues:0
Missing Atoms:12
Ligand binding mode
PocketsSubpocketsWaters
front
gate
back
BP-I-B
Cluster
I10
Ligand
Yes
Protein
Yes

Pocket alignment
Uniprot sequence:EVLAEGGFAIVFLCALKRMVCKREIQIMRDLSKNIVGYIDSLILMDFCRGGQVVNLMNQHQCKTPIIHRDLKVENILLLCDFGSA
Sequence structure:EVLAEGGFAIVFLCALKRMVCKREIQIMRDLSKNIVGYIDSLILMDFCRGGQVVNLMNQHQCKTPIIHRDLKVENILLLCDFGSA

Ligand affinity
ChEMBL ID:CHEMBL502835
Bioaffinities: 291 records for 215 kinases
Species Kinase (ChEMBL naming) Median Min Max Type Records
Homo sapiens3-phosphoinositide dependent protein kinase-15.65.65.6pKd1
Homo sapiensActivin receptor type-16.26.26.2pKd1
Homo sapiensActivin receptor type-1B5.35.35.3pKd1
Homo sapiensAdaptor-associated kinase7.27.27.2pKd1
Homo sapiensALK tyrosine kinase receptor7.57.57.5pKd1
Homo sapiensAMP-activated protein kinase, alpha-1 subunit7.17.17.1pKd1
Homo sapiensAMP-activated protein kinase, alpha-2 subunit7.17.17.1pKd1
Homo sapiensBMP-2-inducible protein kinase8.78.78.7pKd1
Homo sapiensBone morphogenetic protein receptor type-27.37.37.3pKd1
Homo sapiensCaM kinase I alpha5.25.25.2pKd1
Homo sapiensCaM kinase I delta5.75.75.7pKd1
Homo sapiensCaM kinase I gamma6.66.66.6pKd1
Homo sapiensCaM kinase II alpha5.45.45.4pKd1
Homo sapiensCaM kinase IV5.45.45.4pKd1
Homo sapiensCaM-kinase kinase alpha6.26.26.2pKd1
Homo sapiensCaM-kinase kinase beta666pKd1
Homo sapiensCasein kinase I delta5.95.95.9pKd1
Homo sapiensCasein kinase I epsilon6.66.66.6pKd1
Homo sapiensCasein kinase II alpha5.15.15.1pKd1
Homo sapiensCasein kinase II alpha (prime)6.16.16.1pKd1
Homo sapienscGMP-dependent protein kinase 1 beta7.97.97.9pKd1
Homo sapiensc-Jun N-terminal kinase 16.26.26.2pKd1
Homo sapiensc-Jun N-terminal kinase 36.66.66.6pKd1
Homo sapiensCyclin-dependent kinase 25.95.95.9pKd1
Homo sapiensCyclin-dependent kinase 46.16.16.8pKd2
Homo sapiensCyclin-dependent kinase 76.56.56.5pKd1
Homo sapiensCyclin-dependent kinase-like 25.95.95.9pKd1
Homo sapiensDeath-associated protein kinase 25.55.55.5pKd1
Homo sapiensDeath-associated protein kinase 35.75.75.7pKd1
Homo sapiensDiscoidin domain-containing receptor 27.47.47.4pKd1
Homo sapiensDual specificity mitogen-activated protein kinase kinase 1888pKd1
Homo sapiensDual specificity mitogen-activated protein kinase kinase 27.47.47.4pKd1
Homo sapiensDual specificity mitogen-activated protein kinase kinase 35.75.75.7pKd1
Homo sapiensDual specificity mitogen-activated protein kinase kinase 45.45.45.4pKd1
Homo sapiensDual specificity mitogen-activated protein kinase kinase 58.88.88.8pKd1
Homo sapiensDual specificity protein kinase CLK26.16.16.1pKd1
Homo sapiensDual specificity protein kinase CLK47.87.87.8pKd1
Homo sapiensDual specificity protein kinase TTK7.77.77.7pKd1
Homo sapiensDual specificity tyrosine-phosphorylation-regulated kinase 1B5.85.85.8pKd1
Homo sapiensDual specificty protein kinase CLK18.18.18.1pKd1
Homo sapiensEphrin type-A receptor 15.95.95.9pKd1
Homo sapiensEphrin type-A receptor 25.55.55.5pKd1
Homo sapiensEphrin type-A receptor 35.15.15.1pKd1
Homo sapiensEphrin type-A receptor 6666pKd1
Homo sapiensEphrin type-B receptor 16.36.36.3pKd1
Homo sapiensEphrin type-B receptor 4666pKd1
Homo sapiensEpithelial discoidin domain-containing receptor 17.97.97.9pKd1
Homo sapiensEukaryotic translation initiation factor 2-alpha kinase 45.75.75.7pKd1
Homo sapiensFibroblast growth factor receptor 17.27.27.4pIC503
Homo sapiensFibroblast growth factor receptor 1777pKd1
Homo sapiensFibroblast growth factor receptor 27.47.47.4pIC501
Homo sapiensFibroblast growth factor receptor 26.56.56.5pKd1
Homo sapiensFibroblast growth factor receptor 3777pIC501
Homo sapiensFibroblast growth factor receptor 36.96.97pKd2
Homo sapiensFibroblast growth factor receptor 46.26.26.2pIC501
Homo sapiensFibroblast growth factor receptor 45.85.85.8pKd1
Homo sapiensFocal adhesion kinase 16.76.76.7pKd1
Homo sapiensGlycogen synthase kinase-3 alpha6.46.46.4pKd1
Homo sapiensGlycogen synthase kinase-3 beta7.17.17.1pKd1
Homo sapiensG protein-coupled receptor kinase 47.87.87.8pKd1
Homo sapiensG protein-coupled receptor kinase 75.95.95.9pKd1
Homo sapiensHepatocyte growth factor receptor6.56.36.7pKd3
Homo sapiensHomeodomain-interacting protein kinase 15.95.95.9pKd1
Homo sapiensHomeodomain-interacting protein kinase 26.16.16.1pKd1
Homo sapiensHomeodomain-interacting protein kinase 36.16.16.1pKd1
Homo sapiensHomeodomain-interacting protein kinase 45.95.95.9pKd1
Homo sapiensInhibitor of nuclear factor kappa B kinase alpha subunit5.45.45.4pKd1
Homo sapiensInhibitor of nuclear factor kappa B kinase epsilon subunit6.86.86.8pKd1
Homo sapiensInsulin-like growth factor I receptor7.27.27.2pKd1
Homo sapiensInsulin receptor7.67.67.6pKd1
Homo sapiensInsulin receptor-related protein7.77.77.7pKd1
Homo sapiensInterleukin-1 receptor-associated kinase 16.96.96.9pKd1
Homo sapiensInterleukin-1 receptor-associated kinase 35.35.35.3pKd1
Homo sapiensInterleukin-1 receptor-associated kinase 46.16.16.1pKd1
Homo sapiensLeucine-rich repeat serine/threonine-protein kinase 27.37.37.4pKd2
Homo sapiensLeukocyte tyrosine kinase receptor6.86.86.8pKd1
Homo sapiensMacrophage colony stimulating factor receptor7.37.37.3pKd1
Homo sapiensMAP/microtubule affinity-regulating kinase 25.95.95.9pKd1
Homo sapiensMAP/microtubule affinity-regulating kinase 45.75.75.7pKd1
Homo sapiensMaternal embryonic leucine zipper kinase8.38.38.3pKd1
Homo sapiensMicrotubule-associated serine/threonine-protein kinase 15.35.35.3pKd1
Homo sapiensMisshapen-like kinase 17.17.17.1pKd1
Homo sapiensMitogen-activated protein kinase 75.65.65.6pKd1
Homo sapiensMitogen-activated protein kinase kinase kinase 105.65.65.6pKd1
Homo sapiensMitogen-activated protein kinase kinase kinase 116.26.26.2pKd2
Homo sapiensMitogen-activated protein kinase kinase kinase 136.96.96.9pKd1
Homo sapiensMitogen-activated protein kinase kinase kinase 155.95.95.9pKd1
Homo sapiensMitogen-activated protein kinase kinase kinase 2888pKd1
Homo sapiensMitogen-activated protein kinase kinase kinase 37.57.57.5pKd1
Homo sapiensMitogen-activated protein kinase kinase kinase 78.48.48.4pKd1
Homo sapiensMitogen-activated protein kinase kinase kinase 96.76.76.7pKd1
Homo sapiensMitogen-activated protein kinase kinase kinase kinase 17.57.57.5pKd1
Homo sapiensMitogen-activated protein kinase kinase kinase kinase 26.56.56.5pKd1
Homo sapiensMitogen-activated protein kinase kinase kinase kinase 36.56.56.5pKd1
Homo sapiensMitogen-activated protein kinase kinase kinase kinase 46.86.86.8pKd1
Homo sapiensMitogen-activated protein kinase kinase kinase kinase 56.46.46.4pKd1
Homo sapiensMuscle, skeletal receptor tyrosine protein kinase6.26.26.2pKd1
Homo sapiensMyosin-IIIB5.65.65.6pKd1
Homo sapiensMyosin light chain kinase777pKd1
Homo sapiensmyosin light chain kinase 25.45.45.4pKd1
Homo sapiensMyosin light chain kinase family member 46.46.46.4pKd1
Homo sapiensMyosin light chain kinase, smooth muscle6.56.56.5pKd1
Homo sapiensNerve growth factor receptor Trk-A8.48.48.4pKd1
Homo sapiensNeurotrophic tyrosine kinase receptor type 27.77.77.7pKd1
Homo sapiensNon-receptor tyrosine-protein kinase TNK16.76.76.7pKd1
Homo sapiensNT-3 growth factor receptor7.57.57.5pKd1
Homo sapiensNUAK family SNF1-like kinase 16.86.86.8pKd1
Homo sapiensNUAK family SNF1-like kinase 27.77.77.7pKd1
Homo sapiensPhosphatidylinositol-4-phosphate 5-kinase type-1 alpha7.37.37.3pKd1
Homo sapiensPhosphatidylinositol-5-phosphate 4-kinase type-2 beta7.87.87.8pKd1
Homo sapiensPhosphorylase kinase gamma subunit 16.96.96.9pKd1
Homo sapiensPhosphorylase kinase gamma subunit 26.66.66.6pKd1
Homo sapiensPlatelet-derived growth factor receptor alpha7.87.28.4pIC503
Homo sapiensPlatelet-derived growth factor receptor alpha7.87.87.8pKd1
Homo sapiensPlatelet-derived growth factor receptor beta7.27.28.7pIC502
Homo sapiensPlatelet-derived growth factor receptor beta7.87.87.8pKd1
Homo sapiensProtein kinase C mu666pKd1
Homo sapiensProtein kinase C nu6.26.26.2pKd1
Homo sapiensProtein kinase C theta5.35.35.3pKd1
Homo sapiensProtein kinase N16.16.16.1pKd1
Homo sapiensProtein kinase N25.95.95.9pKd1
Homo sapiensProtein tyrosine kinase 2 beta7.17.17.1pKd1
Homo sapiensProto-oncogene tyrosine-protein kinase MER8.18.18.1pKd1
Homo sapiensProto-oncogene tyrosine-protein kinase ROS5.45.45.4pKd1
Homo sapiensPutative uncharacterized serine/threonine-protein kinase SgK1105.75.75.7pKd1
Homo sapiensReceptor-interacting serine/threonine-protein kinase 16.66.66.6pKd1
Homo sapiensReceptor-interacting serine/threonine-protein kinase 46.46.46.4pKd1
Homo sapiensRhodopsin kinase666pKd1
Homo sapiensRibosomal protein S6 kinase 16.76.76.7pKd1
Homo sapiensRibosomal protein S6 kinase alpha 16.86.86.8pKd2
Homo sapiensRibosomal protein S6 kinase alpha 27.27.27.2pKd2
Homo sapiensRibosomal protein S6 kinase alpha 37.27.27.2pKd2
Homo sapiensRibosomal protein S6 kinase alpha 46.26.26.2pKd2
Homo sapiensRibosomal protein S6 kinase alpha 56.76.76.7pKd2
Homo sapiensRibosomal protein S6 kinase alpha 66.66.66.6pKd2
Homo sapiensSerine/threonine-protein kinase 107.17.17.1pKd1
Homo sapiensSerine/threonine-protein kinase 117.87.87.8pKd1
Homo sapiensSerine/threonine-protein kinase 167.87.87.8pKd1
Homo sapiensSerine/threonine-protein kinase 17A777pKd1
Homo sapiensSerine/threonine-protein kinase 17B6.26.26.2pKd1
Homo sapiensSerine/threonine-protein kinase 27.37.37.3pKd1
Homo sapiensSerine/threonine-protein kinase 24777pKd1
Homo sapiensSerine/threonine-protein kinase 33666pKd1
Homo sapiensSerine/threonine-protein kinase 356.16.16.1pKd1
Homo sapiensSerine/threonine-protein kinase Aurora-B6.46.46.4pKd1
Homo sapiensSerine/threonine-protein kinase Aurora-C6.76.76.7pKd1
Homo sapiensSerine/threonine-protein kinase Chk16.56.56.5pKd1
Homo sapiensSerine/threonine-protein kinase c-TAK16.16.16.1pKd1
Homo sapiensSerine/threonine-protein kinase D26.16.16.1pKd1
Homo sapiensSerine/threonine-protein kinase DCLK16.36.36.3pKd1
Homo sapiensSerine/threonine-protein kinase DCLK36.16.16.1pKd1
Homo sapiensSerine/threonine-protein kinase ICK5.85.85.8pKd1
Homo sapiensSerine/threonine-protein kinase LATS16.46.46.4pKd1
Homo sapiensSerine/threonine-protein kinase LATS26.46.46.4pKd1
Homo sapiensSerine/threonine-protein kinase MARK15.95.95.9pKd1
Homo sapiensSerine/threonine-protein kinase MST18.18.18.1pKd1
Homo sapiensSerine/threonine-protein kinase MST27.47.47.4pKd1
Homo sapiensSerine/threonine-protein kinase MST47.37.37.3pKd1
Homo sapiensSerine/threonine-protein kinase OSR15.95.95.9pKd1
Homo sapiensSerine/threonine-protein kinase PAK 25.55.55.5pKd1
Homo sapiensSerine/threonine-protein kinase PAK 36.76.76.7pKd1
Homo sapiensSerine/threonine-protein kinase PAK 45.55.55.5pKd1
Homo sapiensSerine/threonine-protein kinase PAK75.95.95.9pKd1
Homo sapiensSerine/threonine-protein kinase PCTAIRE-17.77.77.7pKd1
Homo sapiensSerine/threonine-protein kinase PCTAIRE-2777pKd1
Homo sapiensSerine/threonine-protein kinase PCTAIRE-36.36.36.3pKd1
Homo sapiensSerine/threonine-protein kinase PFTAIRE-16.36.36.3pKd1
Homo sapiensSerine/threonine-protein kinase PLK47.37.37.3pKd1
Homo sapiensSerine/threonine-protein kinase receptor R35.45.45.4pKd1
Homo sapiensSerine/threonine-protein kinase RIO17.67.67.6pKd1
Homo sapiensSerine/threonine-protein kinase RIO37.47.47.4pKd1
Homo sapiensSerine/threonine-protein kinase SBK1777pKd1
Homo sapiensSerine/threonine-protein kinase Sgk3666pKd1
Homo sapiensSerine/threonine-protein kinase SIK16.26.26.2pKd1
Homo sapiensSerine/threonine-protein kinase SIK26.66.66.6pKd1
Homo sapiensSerine/threonine-protein kinase SRPK17.47.47.4pKd1
Homo sapiensSerine/threonine-protein kinase SRPK27.47.47.4pKd1
Homo sapiensSerine/threonine-protein kinase SRPK37.97.97.9pKd1
Homo sapiensSerine/threonine-protein kinase TBK16.86.86.8pKd1
Homo sapiensSerine/threonine-protein kinase ULK16.56.56.5pKd1
Homo sapiensSerine/threonine-protein kinase ULK26.46.46.4pKd1
Homo sapiensSerine/threonine-protein kinase ULK37.27.27.2pKd1
Homo sapiensSerine/threonine-protein kinase WEE15.55.55.5pKd1
Homo sapiensSPS1/STE20-related protein kinase YSK48.38.38.3pKd1
Homo sapiensSTE20/SPS1-related proline-alanine-rich protein kinase6.36.36.3pKd1
Homo sapiensStem cell growth factor receptor7.56.58.6pKd8
Homo sapiensTestis-specific serine/threonine-protein kinase 15.25.25.2pKd1
Homo sapiensTGF-beta receptor type I5.45.45.4pKd1
Homo sapiensTRAF2- and NCK-interacting kinase7.37.37.3pKd1
Homo sapiensTyrosine kinase non-receptor protein 25.85.85.8pKd1
Homo sapiensTyrosine-protein kinase ABL7.25.28pKd15
Homo sapiensTyrosine-protein kinase ABL25.75.75.7pKd1
Homo sapiensTyrosine-protein kinase BLK6.46.46.4pKd1
Homo sapiensTyrosine-protein kinase BTK6.56.56.5pKd1
Homo sapiensTyrosine-protein kinase FER7.17.17.1pKd1
Homo sapiensTyrosine-protein kinase FES5.95.95.9pKd1
Homo sapiensTyrosine-protein kinase FGR6.56.56.5pKd1
Homo sapiensTyrosine-protein kinase FRK5.65.65.6pKd1
Homo sapiensTyrosine-protein kinase FYN6.26.26.2pKd1
Homo sapiensTyrosine-protein kinase HCK5.35.35.3pKd1
Homo sapiensTyrosine-protein kinase ITK/TSK6.76.76.7pKd1
Homo sapiensTyrosine-protein kinase JAK15.65.68.3pKd4
Homo sapiensTyrosine-protein kinase JAK27.97.97.9pKd2
Homo sapiensTyrosine-protein kinase JAK38.18.18.1pKd2
Homo sapiensTyrosine-protein kinase LCK7.87.87.8pIC502
Homo sapiensTyrosine-protein kinase LCK8.28.28.2pKd1
Homo sapiensTyrosine-protein kinase Lyn6.76.76.7pIC502
Homo sapiensTyrosine-protein kinase Lyn666pKd1
Homo sapiensTyrosine-protein kinase receptor FLT37.67.67.6pIC502
Homo sapiensTyrosine-protein kinase receptor FLT38.47.89.4pKd8
Homo sapiensTyrosine-protein kinase receptor RET7.57.58pKd4
Homo sapiensTyrosine-protein kinase receptor Tie-15.75.75.7pKd1
Homo sapiensTyrosine-protein kinase receptor TYRO35.35.35.3pKd1
Homo sapiensTyrosine-protein kinase receptor UFO7.97.97.9pKd1
Homo sapiensTyrosine-protein kinase SRC6.86.86.8pIC502
Homo sapiensTyrosine-protein kinase SRC6.26.26.2pKd1
Homo sapiensTyrosine-protein kinase TIE-25.95.95.9pKd1
Homo sapiensTyrosine-protein kinase TXK6.16.16.1pKd1
Homo sapiensTyrosine-protein kinase TYK26.36.37.4pKd4
Homo sapiensTyrosine-protein kinase YES7.17.17.1pKd1
Homo sapiensTyrosine-protein kinase ZAP-705.55.55.5pKd1
Homo sapiensVascular endothelial growth factor receptor 1777.5pIC502
Homo sapiensVascular endothelial growth factor receptor 17.27.27.2pKd1
Homo sapiensVascular endothelial growth factor receptor 27.77.78.3pIC502
Homo sapiensVascular endothelial growth factor receptor 28.58.58.5pKd1
Mus musculusVascular endothelial growth factor receptor 27.97.97.9pIC501
Homo sapiensVascular endothelial growth factor receptor 37.97.98.3pIC502
Homo sapiensVascular endothelial growth factor receptor 3777pKd1


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 E
50
2 V
51
3 L
52
4 A
53
5 E
54
6 G
55
7 G
56
8 F
57
9 A
58
10 I
59
11 V
60
12 F
61
13 L
62
14 C
71
15 A
72
16 L
73
17 K
74
18 R
75
19 M
76
20 V
86
αC b.l IV
21 C
87
22 K
88
23 R
89
24 E
90
25 I
91
26 Q
92
27 I
93
28 M
94
29 R
95
30 D
96
31 L
97
32 S
98
33 K
101
34 N
102
35 I
103
36 V
104
37 G
105
38 Y
106
39 I
107
40 D
108
IV V GK hinge linker αD αE
41 S
109
42 L
123
43 I
124
44 L
125
45 M
126
46 D
127
47 F
128
48 C
129
49 R
130
50 G
131
51 G
132
52 Q
133
53 V
134
54 V
135
55 N
136
56 L
137
57 M
138
58 N
139
59 Q
140
60 H
166
αE VI c.l VII VIII x
61 Q
167
62 C
168
63 K
169
64 T
170
65 P
171
66 I
172
67 I
173
68 H
174
69 R
175
70 D
176
71 L
177
72 K
178
73 V
179
74 E
180
75 N
181
76 I
182
77 L
183
78 L
184
79 L
192
80 C
193
DFG a.l
81 D
194
82 F
195
83 G
196
84 S
197
85 A
198

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