KLIFS - the structural kinase database

Structure information


PDB:	5O26
PubMed:	-
Release date:	2017-06-28
Resolution:	2.38 Å

Kinase:	WNK3 (Wnk3)
Family:	WNK
Group:	Other
Species:	HUMAN

Quality Score:	9.4
Missing Residues:	0
Missing Atoms:	6

DFG conformation:	in
αC-helix conformation:	out
Salt bridge K^III.17 and E^αC.24:	No


ASP rotation (xDFG.81) :	347°
PHE rotation (xDFG.82) :	355°
Activation loop position:	-3.2Å
αC-helix position:	22.2Å

G-rich loop angle:	51.9°
G-rich loop distance:	14.5Å
G-rich loop rotation:	28.7°

Other models from this PDB:

2D & 3D views

Binding pocket waters

The following waters were found in the defined clusters:

I3

H-bond protein

I5

H-bond protein

I6

H-bond ligand

H-bond protein

I11

H-bond protein

Binding pocket sequence

Uniprot	IELGRGAFKTVYKVAWCELRFKEEAEMLKGLQPNIVRFYDSVLVTELMTSGTLKTYLKRHTRTPPIIHRDLKCDNIFIIGDLGLA
Structure:	IELGRGAFKTVYKVAWCELRFKEEAEMLKGLQPNIVRFYDSVLVTELMTSGTLKTYLKRHTRTPPIIHRDLKCDNIFIIGDLGLA

Modified residues

Residue 304 (not in pocket)

Phosphorylated serine

Residue 308 (not in pocket)

Phosphorylated serine

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
OTHER
Show/hide non-interacting res.
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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 I
151

2 E
152

3 L
153

4 G
154

5 R
155

6 G
156

7 A
157

8 F
158

9 K
159

10 T
160

11 V
161

12 Y
162

13 K
163

14 V
173

15 A
174

16 W
175

17 C
176

18 E
177

19 L
178

20 R
190

■

▲

■▲

■

αC

b.l

IV

21 F
191

22 K
192

23 E
193

24 E
194

25 A
195

26 E
196

27 M
197

28 L
198

29 K
199

30 G
200

31 L
201

32 Q
202

33 P
204

34 N
205

35 I
206

36 V
207

37 R
208

38 F
209

39 Y
210

40 D
211

IV

V

GK

hinge

linker

αD

αE

41 S
212

42 V
224

43 L
225

44 V
226

45 T
227

46 E
228

47 L
229

48 M
230

49 T
231

50 S
232

51 G
233

52 T
234

53 L
235

54 K
236

55 T
237

56 Y
238

57 L
239

58 K
240

59 R
241

60 H
265

▲

■

■▲

αE

VI

c.l

VII

VIII

x

61 T
266

62 R
267

63 T
268

64 P
269

65 P
270

66 I
271

67 I
272

68 H
273

69 R
274

70 D
275

71 L
276

72 K
277

73 C
278

74 D
279

75 N
280

76 I
281

77 F
282

78 I
283

79 I
292

80 G
293

▲

■♦

DFG

a.l

81 D
294

82 L
295

83 G
296

84 L
297

85 A
298

Interaction pattern search

Search KLIFS for kinase-ligand complexes with similar interaction patterns:

Binding affinities

ChEMBL ID:CHEMBL1230989

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

5O26 - chain A (model A) | WNK lysine deficient protein kinase 3

Structure information

2D & 3D views

Binding pocket waters

Binding pocket sequence

Modified residues

Orthosteric ligand

Kinase-ligand interactions

Interaction pattern search

Binding affinities