2WTK - chain F | Serine/threonine kinase 11
Structure information
PDB:2WTK
PubMed:19892943
Release date:2009-12-15
Resolution:2.65 Å
 
Kinase:STK11 (LKB1)
Family:CAMKL
Group:CAMK
Species:HUMAN
 
Quality Score:8
Missing Residues:0
Missing Atoms:0
DFG conformation:in
αC-helix conformation:in
Salt bridge KIII.17 and EαC.24:Yes (3.6Å)
 
 
ASP rotation (xDFG.81) :297°
PHE rotation (xDFG.82) :338°
Activation loop position:-3.6Å
αC-helix position:17.3Å
 
G-rich loop angle:53.7°
G-rich loop distance:16.1Å
G-rich loop rotation:68.1°
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
UniprotDLLGEGSYGKVKERAVKILNVKKEIQLLRRLRKNVIQLVDVYMVMEYCVCGMQEMLDSVYLHSQGIVHKDIKPGNLLLISDLGVA
Structure:DLLGEGSYGKVKERAVKILNVKKEIQLLRRLRKNVIQLVDVYMVMEYCVCGMQEMLDSVYLHSQGIVHKDIKPGNLLLISALGVA


Modified residues
No modified residues identified.
Orthosteric ligand
2D structure of the orthosteric ligand
Ligand HET-code: ANP
Ligand Name: PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER

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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 D
53
2 L
54
3 L
55
4 G
56
5 E
57
6 G
58
7 S
59
8 Y
60
9 G
61
10 K
62
11 V
63
12 K
64
13 E
65
14 R
75
15 A
76
16 V
77
17 K
78
18 I
79
19 L
80
20 N
94
αC b.l IV
21 V
95
22 K
96
23 K
97
24 E
98
25 I
99
26 Q
100
27 L
101
28 L
102
29 R
103
30 R
104
31 L
105
32 R
106
33 K
108
34 N
109
35 V
110
36 I
111
37 Q
112
38 L
113
39 V
114
40 D
115
IV V GK hinge linker αD αE
41 V
116
42 Y
126
43 M
127
44 V
128
45 M
129
46 E
130
47 Y
131
48 C
132
49 V
133
50 C
134
51 G
135
52 M
136
53 Q
137
54 E
138
55 M
139
56 L
140
57 D
141
58 S
142
59 V
143
60 Y
166
αE VI c.l VII VIII x
61 L
167
62 H
168
63 S
169
64 Q
170
65 G
171
66 I
172
67 V
173
68 H
174
69 K
175
70 D
176
71 I
177
72 K
178
73 P
179
74 G
180
75 N
181
76 L
182
77 L
183
78 L
184
79 I
192
80 S
193
DFG a.l
81 A
194
82 L
195
83 G
196
84 V
197
85 A
198

Interaction pattern search
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Binding affinities
ChEMBL ID:CHEMBL1230989

Bioaffinities: No (p)Ki/(p)IC50/(p)EC50 values for kinases found (with a ChEMBL confidence ≥ 8).