Rho associated coiled-coil containing protein kinase 1
Kinase structure
Kinase:ROCK1
Family:DMPK
Group:AGC
Species:HUMAN
IUPHAR/BPS ID:1503
PDB:5KKS
sc-PDB:
KIDFamMap:Search
Release date:2017-06-28
Chain:B
Orthosteric ligand:6U1
2D structure of the orthosteric ligand
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The orthosteric binding pocket


More entries for 5KKS
5KKSChain: A


Structural information
DFG conformation:in
αC-helix conformation:in
G-rich loop angle (distance):55.2° (17.2Å)
G-rich loop rotation:62.7°
Quality Score:8
Resolution:3.3 Å
Missing Residues:0
Missing Atoms:0
Ligand binding mode
PocketsSubpockets
front
FP-II

Pocket alignment
Uniprot sequence:KVIGRGAFGEVQLYAMKLLFFWEERDIMAFANPWVVQLFYAYMVMEYMPGGDLVNLMSNAIHSMGFIHRDVKPDNMLLLADFGTC
Sequence structure:KVIGRGAFGEVQLYAMKLLFFWEERDIMAFANPWVVQLFYAYMVMEYMPGGDLVNLMSNAIHSMGFIHRDVKPDNMLLLADFGTC

Ligand affinity
Ligand not found in ChEMBL.


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
80
2 V
81
3 I
82
4 G
83
5 R
84
6 G
85
7 A
86
8 F
87
9 G
88
10 E
89
11 V
90
12 Q
91
13 L
92
14 Y
102
15 A
103
16 M
104
17 K
105
18 L
106
19 L
107
20 F
120
αC b.l IV
21 F
121
22 W
122
23 E
123
24 E
124
25 R
125
26 D
126
27 I
127
28 M
128
29 A
129
30 F
130
31 A
131
32 N
132
33 P
134
34 W
135
35 V
136
36 V
137
37 Q
138
38 L
139
39 F
140
40 Y
141
IV V GK hinge linker αD αE
41 A
142
42 Y
150
43 M
151
44 V
152
45 M
153
46 E
154
47 Y
155
48 M
156
49 P
157
50 G
158
51 G
159
52 D
160
53 L
161
54 V
162
55 N
163
56 L
164
57 M
165
58 S
166
59 N
167
60 A
188
αE VI c.l VII VIII x
61 I
189
62 H
190
63 S
191
64 M
192
65 G
193
66 F
194
67 I
195
68 H
196
69 R
197
70 D
198
71 V
199
72 K
200
73 P
201
74 D
202
75 N
203
76 M
204
77 L
205
78 L
206
79 L
214
80 A
215
DFG a.l
81 D
216
82 F
217
83 G
218
84 T
219
85 C
220

Interaction pattern search
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