3-phosphoinositide dependent protein kinase 1
Kinase structure
Kinase:PDPK1 (PDK1)
Family:PDK1
Group:AGC
Species:HUMAN
IUPHAR/BPS ID:1519
PDB:1UU3
sc-PDB:
KIDFamMap:Search
Release date:2004-03-04
PubMed: 14962382
Chain:A
(Alternate) Model:B
Orthosteric ligand:LY4
2D structure of the orthosteric ligand
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The orthosteric binding pocket


More entries for 1UU3
1UU3Alternative model: AChain: A


Structural information
DFG conformation:in
αC-helix conformation:in
G-rich loop angle (distance):59.3° (17.3Å)
G-rich loop rotation:48.6°
Quality Score:8
Resolution:1.7 Å
Missing Residues:0
Missing Atoms:0
Ligand binding mode
PocketsSubpocketsWaters
front
Cluster
I1
I4
Ligand
No
No
Protein
Yes
Yes

Pocket alignment
Uniprot sequence:KILGEGSFSTVVLYAIKILYVTRERDVMSRLDPFFVKLYFTYFGLSYAKNGELLKYIRKYLHGKGIIHRDLKPENILLITDFGTA
Sequence structure:KILGEGSFSTVVLYAIKILYVTRERDVMSRLDPFFVKLYFTYFGLSYAKNGELLKYIRKYLHGKGIIHRDLKPENILLITDFGTA

Ligand affinity
ChEMBL ID:CHEMBL91829
Bioaffinities: 252 records for 117 kinases
Species Kinase (ChEMBL naming) Median Min Max Type Records
Homo sapiens3-phosphoinositide dependent protein kinase-16.16.16.1pIC501
Homo sapiens3-phosphoinositide dependent protein kinase-16.26.26.2pKd2
Homo sapiensAdaptor-associated kinase6.166.1pKd3
Homo sapiensBMP-2-inducible protein kinase6.45.66.4pKd3
Homo sapiensCaM kinase I delta5.45.45.6pKd2
Homo sapiensCaM kinase II alpha5.455.4pKd3
Homo sapiensCaM kinase II delta5.35.35.3pKd2
Homo sapiensCaM kinase II gamma5.15.15.1pKd2
Homo sapiensCaM-kinase kinase alpha5.35.35.8pKd3
Homo sapiensCaM-kinase kinase beta5.65.66pKd3
Homo sapienscAMP-dependent protein kinase alpha-catalytic subunit5.35.35.3pKd2
Homo sapienscAMP-dependent protein kinase beta-1 catalytic subunit5.55.55.5pKd2
Homo sapiensCasein kinase II alpha5.45.45.4pKd1
Homo sapiensCasein kinase II alpha (prime)5.25.25.5pKd2
Homo sapienscGMP-dependent protein kinase 25.55.55.5pKd2
Homo sapiensCitron Rho-interacting kinase5.95.95.9pKd2
Homo sapiensCyclin-dependent kinase 46.66.66.6pKd2
Homo sapiensCyclin-dependent kinase 75.85.85.8pKd1
Homo sapiensCyclin-dependent kinase-like 55.45.45.4pKd1
Homo sapiensDeath-associated protein kinase 1666pKd2
Homo sapiensDeath-associated protein kinase 25.65.65.6pKd1
Homo sapiensDeath-associated protein kinase 35.15.15.9pKd2
Homo sapiensDual specificity mitogen-activated protein kinase kinase 4666pKd2
Homo sapiensDual specificity mitogen-activated protein kinase kinase 5666pKd1
Homo sapiensDual specificity mitogen-activated protein kinase kinase 65.45.45.4pKd1
Homo sapiensDual specificity protein kinase CLK26.46.46.4pKd2
Homo sapiensDual specificity protein kinase CLK45.75.15.7pKd3
Homo sapiensDual-specificity tyrosine-phosphorylation regulated kinase 1A6.66.66.6pKd1
Homo sapiensDual specificity tyrosine-phosphorylation-regulated kinase 1B5.35.35.3pKd2
Homo sapiensDual specificty protein kinase CLK1666pKd2
Homo sapiensEpidermal growth factor receptor erbB15.15.15.3pKd2
Homo sapiensFibroblast growth factor receptor 15.35.35.3pKd1
Homo sapiensGlycogen synthase kinase-3 beta5.65.65.6pKd2
Homo sapiensG protein-coupled receptor kinase 46.26.26.2pKd1
Homo sapiensG protein-coupled receptor kinase 76.56.56.5pKd1
Homo sapiensHomeodomain-interacting protein kinase 16.66.66.6pKd1
Homo sapiensHomeodomain-interacting protein kinase 26.96.96.9pKd1
Homo sapiensHomeodomain-interacting protein kinase 37.17.17.1pKd1
Homo sapiensLeucine-rich repeat serine/threonine-protein kinase 2555pKd1
Homo sapiensMAP kinase-interacting serine/threonine-protein kinase MNK15.25.25.2pKd1
Homo sapiensMAP/microtubule affinity-regulating kinase 25.65.65.6pKd1
Homo sapiensMisshapen-like kinase 16.56.56.5pKd1
Homo sapiensMitogen-activated protein kinase 157.17.17.1pKd2
Homo sapiensMitogen-activated protein kinase kinase kinase 26.26.26.2pKd1
Homo sapiensMitogen-activated protein kinase kinase kinase 36.86.86.8pKd1
Homo sapiensMitogen-activated protein kinase kinase kinase 95.95.95.9pKd2
Homo sapiensMitogen-activated protein kinase kinase kinase kinase 15.65.65.6pKd2
Homo sapiensMitogen-activated protein kinase kinase kinase kinase 26.56.56.5pKd1
Homo sapiensMitogen-activated protein kinase kinase kinase kinase 35.15.15.1pKd2
Homo sapiensMitogen-activated protein kinase kinase kinase kinase 55.15.15.1pKd1
Homo sapiensMyosin light chain kinase, smooth muscle6.56.56.5pKd2
Homo sapiensMyotonin-protein kinase6.66.66.6pKd2
Homo sapiensNUAK family SNF1-like kinase 15.85.85.8pKd2
Homo sapiensNUAK family SNF1-like kinase 26.56.56.5pKd2
Homo sapiensPhosphatidylinositol-4-phosphate 5-kinase type-1 alpha6.26.26.2pKd2
Homo sapiensPhosphatidylinositol-5-phosphate 4-kinase type-2 beta6.16.16.1pKd2
Homo sapiensPhosphorylase kinase gamma subunit 15.45.45.6pKd3
Homo sapiensPlatelet-derived growth factor receptor beta5.25.25.2pKd1
Homo sapiensProtein kinase C alpha6.46.46.4pIC503
Homo sapiensProtein kinase C beta8.28.28.3pIC507
Homo sapiensProtein kinase C delta6.66.66.6pIC501
Homo sapiensProtein kinase C delta8.48.48.4pKd2
Homo sapiensProtein kinase C epsilon6.26.26.2pIC502
Homo sapiensProtein kinase C epsilon888pKd2
Homo sapiensProtein kinase C eta7.37.37.3pIC501
Homo sapiensProtein kinase C eta5.85.85.8pKd2
Homo sapiensProtein kinase C gamma6.56.56.5pIC503
Homo sapiensProtein kinase C iota5.95.95.9pKd1
Homo sapiensProtein kinase C theta8.68.68.6pKd2
Homo sapiensProtein kinase N16.56.56.5pKd2
Homo sapiensProtein kinase N25.85.85.8pKd2
Homo sapiensProto-oncogene tyrosine-protein kinase ROS5.25.25.2pKd1
Homo sapiensRhodopsin kinase6.16.16.1pKd1
Homo sapiensRibosomal protein S6 kinase 16.76.76.7pKd1
Homo sapiensRibosomal protein S6 kinase alpha 16.46.46.4pKd4
Homo sapiensRibosomal protein S6 kinase alpha 26.65.86.6pKd6
Homo sapiensRibosomal protein S6 kinase alpha 35.45.45.7pKd6
Homo sapiensRibosomal protein S6 kinase alpha 45.25.25.2pKd4
Homo sapiensRibosomal protein S6 kinase alpha 55.95.75.9pKd6
Homo sapiensRibosomal protein S6 kinase alpha 65.65.65.6pKd4
Homo sapiensSerine/threonine-protein kinase 106.666.6pKd3
Homo sapiensSerine/threonine-protein kinase 115.25.25.2pKd1
Homo sapiensSerine/threonine-protein kinase 26.466.4pKd3
Homo sapiensSerine/threonine-protein kinase 335.55.55.6pKd2
Homo sapiensSerine/threonine-protein kinase AKT25.15.15.1pKd1
Homo sapiensSerine/threonine-protein kinase AKT35.95.95.9pKd2
Homo sapiensSerine/threonine-protein kinase Aurora-C5.55.55.5pKd1
Homo sapiensSerine/threonine-protein kinase Chk16.36.36.3pKd2
Homo sapiensSerine/threonine-protein kinase Chk25.45.45.4pKd1
Homo sapiensSerine/threonine-protein kinase D26.16.16.1pKd2
Homo sapiensSerine/threonine-protein kinase GAK65.96pKd3
Homo sapiensSerine/threonine-protein kinase ICK6.66.66.6pKd1
Homo sapiensSerine/threonine-protein kinase LATS15.65.65.6pKd2
Homo sapiensSerine/threonine-protein kinase LATS26.26.26.2pKd2
Homo sapiensSerine/threonine-protein kinase MST16.76.76.7pKd1
Homo sapiensSerine/threonine-protein kinase MST2666pKd2
Mus musculusSerine/threonine-protein kinase MST27.17.17.1pKd1
Homo sapiensSerine/threonine-protein kinase PCTAIRE-15.15.15.6pKd2
Homo sapiensSerine/threonine-protein kinase PIM16.76.76.7pIC502
Homo sapiensSerine/threonine-protein kinase PIM16.66.67.3pKd4
Homo sapiensSerine/threonine-protein kinase PIM25.85.86.9pKd4
Homo sapiensSerine/threonine-protein kinase PIM37.97.97.9pKd2
Homo sapiensSerine/threonine-protein kinase PLK45.35.36.4pKd3
Homo sapiensSerine/threonine-protein kinase PRP4 homolog5.85.85.8pKd1
Homo sapiensSerine/threonine-protein kinase RIO16.16.16.1pKd2
Homo sapiensSerine/threonine-protein kinase RIO36.26.26.2pKd1
Homo sapiensSerine/threonine-protein kinase Sgk35.95.95.9pKd1
Homo sapiensSerine/threonine-protein kinase SRPK15.95.95.9pKd1
Homo sapiensSerine/threonine-protein kinase SRPK2666pKd1
Homo sapiensSerine/threonine-protein kinase SRPK35.85.85.8pKd1
Homo sapiensSerine/threonine-protein kinase TAO15.85.85.8pKd1
Homo sapiensSerine/threonine-protein kinase TAO25.45.45.4pKd1
Homo sapiensSerine/threonine-protein kinase TAO3777pKd1
Homo sapiensSerine/threonine-protein kinase TBK1666pKd1
Homo sapiensSerine/threonine-protein kinase tousled-like 15.75.75.7pKd1
Homo sapiensSPS1/STE20-related protein kinase YSK47.37.37.3pKd1
Homo sapiensStem cell growth factor receptor5.856.4pKd8
Homo sapiensTRAF2- and NCK-interacting kinase5.25.25.2pKd1
Homo sapiensTyrosine-protein kinase HCK5.65.65.6pKd1
Homo sapiensTyrosine-protein kinase JAK35.95.96.4pKd4
Homo sapiensTyrosine-protein kinase LCK5.95.95.9pKd1
Homo sapiensTyrosine-protein kinase receptor FLT36.65.76.9pKd13


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 K
86
2 I
87
3 L
88
4 G
89
5 E
90
6 G
91
7 S
92
8 F
93
9 S
94
10 T
95
11 V
96
12 V
97
13 L
98
14 Y
108
15 A
109
16 I
110
17 K
111
18 I
112
19 L
113
20 Y
126
αC b.l IV
21 V
127
22 T
128
23 R
129
24 E
130
25 R
131
26 D
132
27 V
133
28 M
134
29 S
135
30 R
136
31 L
137
32 D
138
33 P
140
34 F
141
35 F
142
36 V
143
37 K
144
38 L
145
39 Y
146
40 F
147
IV V GK hinge linker αD αE
41 T
148
42 Y
156
43 F
157
44 G
158
45 L
159
46 S
160
47 Y
161
48 A
162
49 K
163
50 N
164
51 G
165
52 E
166
53 L
167
54 L
168
55 K
169
56 Y
170
57 I
171
58 R
172
59 K
173
60 Y
195
αE VI c.l VII VIII x
61 L
196
62 H
197
63 G
198
64 K
199
65 G
200
66 I
201
67 I
202
68 H
203
69 R
204
70 D
205
71 L
206
72 K
207
73 P
208
74 E
209
75 N
210
76 I
211
77 L
212
78 L
213
79 I
221
80 T
222
DFG a.l
81 D
223
82 F
224
83 G
225
84 T
226
85 A
227

Interaction pattern search
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