AP2 associated kinase 1
Kinase structure
Kinase:AAK1
Family:NAK
Group:Other
Species:HUMAN
IUPHAR/BPS ID:1921
PDB:5L4Q
sc-PDB:
KIDFamMap:Search
Release date:2016-06-08
Chain:A
(Alternate) Model:B
Orthosteric ligand:LKB
2D structure of the orthosteric ligand
Click to open a 3D viewer
The orthosteric binding pocket


More entries for 5L4Q
5L4QAlternative model: AChain: A
5L4QAlternative model: AChain: B
5L4QAlternative model: BChain: B


Structural information
DFG conformation:in
αC-helix conformation:in
G-rich loop angle (distance):52.7° (16Å)
G-rich loop rotation:35.3°
Quality Score:9.7
Resolution:1.97 Å
Missing Residues:0
Missing Atoms:3
Ligand binding mode
PocketsSubpocketsWaters
front
Cluster
I3
I4
I5
Ligand
No
No
Yes
Protein
Yes
Yes
Yes

Pocket alignment
Uniprot sequence:EVLAEGGFAIVFLCALKRMVCKREIQIMRDLSKNIVGYIDSLILMDFCRGGQVVNLMNQHQCKTPIIHRDLKVENILLLCDFGSA
Sequence structure:EVLAEGGFAIVFLCALKRMVCKREIQIMRDLSKNIVGYIDSLILMDFCRGGQVVNLMNQHQCKTPIIHRDLKVENILLLCDFGSA

Ligand affinity
ChEMBL ID:CHEMBL516312
Bioaffinities: 10 records for 8 kinases
Species Kinase (ChEMBL naming) Median Min Max Type Records
Homo sapiensAdaptor-associated kinase7.37.37.3pKd2
Homo sapiensSerine/threonine-protein kinase 116.46.46.4pKd2
Homo sapiensSerine/threonine-protein kinase 167.67.67.6pKd1
Homo sapiensSerine/threonine-protein kinase MST27.17.17.1pKd1
Homo sapiensSerine/threonine-protein kinase NEK26.36.36.3pKd1
Homo sapiensSerine/threonine-protein kinase PIM17.57.57.5pKd1
Homo sapiensTRAF2- and NCK-interacting kinase6.86.86.8pKd1
Homo sapiensTyrosine-protein kinase receptor UFO6.26.26.2pKd1


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

Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
Specify the minimum similarity (0.00 no similarity, 1.00 identical)