4USE - chain A (model B) | Serine/threonine kinase 10
Structure information
PDB:4USE
PubMed:26501955
Release date:2015-07-22
Resolution:2.65 Å
 
Kinase:STK10 (LOK)
Family:STE20
Group:STE
Species:HUMAN
 
Quality Score:9
Missing Residues:0
Missing Atoms:10
DFG conformation:in
αC-helix conformation:in
Salt bridge KIII.17 and EαC.24:No (5.4Å)
 
 
ASP rotation (xDFG.81) :10°
PHE rotation (xDFG.82) :18°
Activation loop position:-3.9Å
αC-helix position:18.5Å
 
G-rich loop angle:53.3°
G-rich loop distance:16.5Å
G-rich loop rotation:50.2°
Other models from this PDB:
2D & 3D views

The orthosteric binding pocket
Binding pocket waters
No waters were found in the defined clusters
Binding pocket sequence
UniprotGELGDGAFGKVYKAAAKVIDYIVEIEILATCDPYIVKLLGAWIMIEFCPGGAVDAIMLEFLHSKRIIHRDLKAGNVLMLADFGVS
Structure:GELGDGAFGKVYKAAAKVIDYIVEIEILATCDPYIVKLLGAWIMIEFCPGGAVDAIMLEFLHSKRIIHRDLKAGNVLMLADFGVS


Modified residues
No modified residues identified.
Orthosteric ligand
2D structure of the orthosteric ligand
Ligand HET-code: R09
Ligand Name: 4-{5-(6-methoxynaphthalen-2-yl)-1-methyl-2-[2-methyl-4-(methylsulfonyl)phenyl]-1H-imidazol-4-yl}pyridine

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  • LABELS
  • KLIFS residue #
  • Amino Acid
  • None
  • COLORS
  • Interaction types
  • KLIFS (all res.)
  • KLIFS (interacting res.)
  • None
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This ligand targets the following (sub)pockets:
Main pockets
Front

Gate

Back

Subpockets
FP-I

FP-II

BP-I-A

BP-I-B

BP-II-in

BP-II-A-in

BP-II-B-in

BP-II-out

BP-II-B

BP-III

BP-IV

BP-V

Kinase-ligand interactions
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 G
40
2 E
41
3 L
42
4 G
43
5 D
44
6 G
45
7 A
46
8 F
47
9 G
48
10 K
49
11 V
50
12 Y
51
13 K
52
14 A
62
15 A
63
16 A
64
17 K
65
18 V
66
19 I
67
20 D
77
αC b.l IV
21 Y
78
22 I
79
23 V
80
24 E
81
25 I
82
26 E
83
27 I
84
28 L
85
29 A
86
30 T
87
31 C
88
32 D
89
33 P
91
34 Y
92
35 I
93
36 V
94
37 K
95
38 L
96
39 L
97
40 G
98
IV V GK hinge linker αD αE
41 A
99
42 W
107
43 I
108
44 M
109
45 I
110
46 E
111
47 F
112
48 C
113
49 P
114
50 G
115
51 G
116
52 A
117
53 V
118
54 D
119
55 A
120
56 I
121
57 M
122
58 L
123
59 E
124
60 F
147
αE VI c.l VII VIII x
61 L
148
62 H
149
63 S
150
64 K
151
65 R
152
66 I
153
67 I
154
68 H
155
69 R
156
70 D
157
71 L
158
72 K
159
73 A
160
74 G
161
75 N
162
76 V
163
77 L
164
78 M
165
79 L
173
80 A
174
DFG a.l
81 D
175
82 F
176
83 G
177
84 V
178
85 S
179

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Binding affinities
ChEMBL ID:CHEMBL237571
Bioaffinities: 1 record for 1 kinase(s)

Species Kinase (ChEMBL naming) Median Min Max Type Records
Homo sapiensTyrosine-protein kinase TIE-26.96.96.9pIC501