2WTK - chain E | STE20-related kinase adaptor alpha
Structure information
PDB:2WTK
PubMed:19892943
Release date:2009-12-15
Resolution:2.65 Å
 
Kinase:STRADA (STLK5)
Family:STE20
Group:STE
Species:HUMAN
 
Quality Score:8
Missing Residues:0
Missing Atoms:0
DFG conformation:out
αC-helix conformation:in
Salt bridge KIII.17 and EαC.24:Yes (4.4Å)
 
 
ASP rotation (xDFG.81) :284°
PHE rotation (xDFG.82) :
Activation loop position:-3.2Å
αC-helix position:18.5Å
 
G-rich loop angle:50.2°
G-rich loop distance:16.2Å
G-rich loop rotation:112.7°
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
UniprotTVIGKGFEDLMTVVTVRRIFLQGELHVSKLFNPNIVPYRATWVVTSFMAYGSAKDLICTYIHHMGYVHRSVKASHILILSGLRSN
Structure:TVIGKGFEDLMTVVTVRRIFLQGELHVSKLFNPNIVPYRATWVVTSFMAYGSAKDLICTYIHHMGYVHRSVKASHILILSGLRSN


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 T
73
2 V
74
3 I
75
4 G
76
5 K
77
6 G
78
7 F
79
8 E
80
9 D
81
10 L
82
11 M
83
12 T
84
13 V
85
14 V
97
15 T
98
16 V
99
17 R
100
18 R
101
19 I
102
20 F
114
αC b.l IV
21 L
115
22 Q
116
23 G
117
24 E
118
25 L
119
26 H
120
27 V
121
28 S
122
29 K
123
30 L
124
31 F
125
32 N
126
33 P
128
34 N
129
35 I
130
36 V
131
37 P
132
38 Y
133
39 R
134
40 A
135
IV V GK hinge linker αD αE
41 T
136
42 W
144
43 V
145
44 V
146
45 T
147
46 S
148
47 F
149
48 M
150
49 A
151
50 Y
152
51 G
153
52 S
154
53 A
155
54 K
156
55 D
157
56 L
158
57 I
159
58 C
160
59 T
161
60 Y
185
αE VI c.l VII VIII x
61 I
186
62 H
187
63 H
188
64 M
189
65 G
190
66 Y
191
67 V
192
68 H
193
69 R
194
70 S
195
71 V
196
72 K
197
73 A
198
74 S
199
75 H
200
76 I
201
77 L
202
78 I
203
79 L
211
80 S
212
DFG a.l
81 G
213
82 L
214
83 R
215
84 S
216
85 N
217

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).