Rho associated coiled-coil containing protein kinase 2
Kinase structure
Kinase:ROCK2
Family:DMPK
Group:AGC
Species:HUMAN
IUPHAR/BPS ID:1504
PDB:4WOT
sc-PDB:
KIDFamMap:Search
Release date:2015-05-06
PubMed: 25898023
Chain:A
Orthosteric ligand:3SG
2D structure of the orthosteric ligand
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The orthosteric binding pocket


More entries for 4WOT
4WOTChain: B
4WOTChain: C
4WOTChain: D


Structural information
DFG conformation:in
αC-helix conformation:in
G-rich loop angle (distance):53° (16.4Å)
G-rich loop rotation:72.1°
Quality Score:8
Resolution:2.93 Å
Missing Residues:0
Missing Atoms:0
Ligand binding mode
PocketsSubpockets
front
FP-II

Pocket alignment
Uniprot sequence:KVIGRGAFGEVQLYAMKLLFFWEERDIMAFANPWVVQLFYAYMVMEYMPGGDLVNLMSNAIHSMGLIHRDVKPDNMLLLADFGTC
Sequence structure:KVIGRGAFGEVQLYAMKLLFFWEERDIMAFANPWVVQLFYAYMVMEYMPGGDLVNLMSNAIHSMGLIHRDVKPDNMLLLADFGTC

Ligand affinity
ChEMBL ID:CHEMBL3426633
Bioaffinities: 2 records for 1 kinase
Species Kinase (ChEMBL naming) Median Min Max Type Records
Homo sapiensRho-associated protein kinase 27.37.38.8pIC502


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
96
2 V
97
3 I
98
4 G
99
5 R
100
6 G
101
7 A
102
8 F
103
9 G
104
10 E
105
11 V
106
12 Q
107
13 L
108
14 Y
118
15 A
119
16 M
120
17 K
121
18 L
122
19 L
123
20 F
136
αC b.l IV
21 F
137
22 W
138
23 E
139
24 E
140
25 R
141
26 D
142
27 I
143
28 M
144
29 A
145
30 F
146
31 A
147
32 N
148
33 P
150
34 W
151
35 V
152
36 V
153
37 Q
154
38 L
155
39 F
156
40 Y
157
IV V GK hinge linker αD αE
41 A
158
42 Y
166
43 M
167
44 V
168
45 M
169
46 E
170
47 Y
171
48 M
172
49 P
173
50 G
174
51 G
175
52 D
176
53 L
177
54 V
178
55 N
179
56 L
180
57 M
181
58 S
182
59 N
183
60 A
204
αE VI c.l VII VIII x
61 I
205
62 H
206
63 S
207
64 M
208
65 G
209
66 L
210
67 I
211
68 H
212
69 R
213
70 D
214
71 V
215
72 K
216
73 P
217
74 D
218
75 N
219
76 M
220
77 L
221
78 L
222
79 L
230
80 A
231
DFG a.l
81 D
232
82 F
233
83 G
234
84 T
235
85 C
236

Interaction pattern search
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