KLIFS - the structural kinase database

Structure information


PDB:	2X7G
PubMed:	-
Release date:	2010-04-14
Resolution:	2.5 Å

Kinase:	SRPK2
Family:	SRPK
Group:	CMGC
Species:	HUMAN

Quality Score:	8
Missing Residues:	0
Missing Atoms:	0

DFG conformation:	in
αC-helix conformation:	in
Salt bridge K^III.17 and E^αC.24:	Yes (2.9Å)


ASP rotation (xDFG.81) :	322°
PHE rotation (xDFG.82) :	1°
Activation loop position:	-3.6Å
αC-helix position:	18.3Å

G-rich loop angle:	57.8°
G-rich loop distance:	17.7Å
G-rich loop rotation:	50°

2D & 3D views

Binding pocket waters

The following waters were found in the defined clusters:

I1

H-bond protein

I7

H-bond ligand

H-bond protein

Binding pocket sequence

Uniprot	RKLGWGHFSTVWLVAMKVVTALDEIKLLKCVRDMVVQLIDDCMVFEVLG-HHLLKWIIKLHSKCKIIHTDIKPENILMIADLGNA
Structure:	RKLGWGHFSTVWLVAMKVVTALDEIKLLKCVRDMVVQLIDDCMVFEVLG_HHLLKWIIKLHSKCKIIHTDIKPENILMIADLGNA

Modified residues

No modified residues identified.

Orthosteric ligand

Ligand HET-code: PVB
Ligand Name: PURVALANOL B

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LABELS
KLIFS residue #
Amino Acid
None
COLORS
Interaction types
KLIFS (all res.)
KLIFS (interacting res.)
None
OTHER
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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 R
96

2 K
97

3 L
98

4 G
99

5 W
100

6 G
101

7 H
102

8 F
103

9 S
104

10 T
105

11 V
106

12 W
107

13 L
108

14 V
118

15 A
119

16 M
120

17 K
121

18 V
122

19 V
123

20 T
132

■

αC

b.l

IV

21 A
133

22 L
134

23 D
135

24 E
136

25 I
137

26 K
138

27 L
139

28 L
140

29 K
141

30 C
142

31 V
143

32 R
144

33 D
154

34 M
155

35 V
156

36 V
157

37 Q
158

38 L
159

39 I
160

40 D
161

■

IV

V

GK

hinge

linker

αD

αE

41 D
162

42 C
174

43 M
175

44 V
176

45 F
177

46 E
178

47 V
179

48 L
180

49 G
181

50 _
_

51 H
182

52 H
183

53 L
184

54 L
185

55 K
186

56 W
187

57 I
188

58 I
189

59 K
190

60 L
215

■

■▲▲

■

■▲

■

αE

VI

c.l

VII

VIII

x

61 H
216

62 S
217

63 K
218

64 C
219

65 K
220

66 I
221

67 I
222

68 H
223

69 T
224

70 D
225

71 I
226

72 K
227

73 P
228

74 E
229

75 N
230

76 I
231

77 L
232

78 M
233

79 I
539

80 A
540

■

DFG

a.l

81 D
541

82 L
542

83 G
543

84 N
544

85 A
545

Interaction pattern search

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

Binding affinities

ChEMBL ID:CHEMBL23254
Bioaffinities: 13 records for 8 kinase(s)

Species	Kinase (ChEMBL naming)	Median	Min	Max	Type	Records
Patiria pectinifera	Cdc2	6.6	6.6	7.3	pIC50	2
Saccharomyces cerevisiae S288c	Cell division control protein 28	5.9	5.9	5.9	pIC50	1
Homo sapiens	Cyclin-dependent kinase 1	4.7	4.7	4.7	pIC50	1
Homo sapiens	Cyclin-dependent kinase 2	8.1	8.1	8.2	pIC50	2
Homo sapiens	Insulin receptor	5.7	5.7	5.7	pIC50	1
Homo sapiens	MAP kinase ERK1	5.5	5.5	5.5	pIC50	2
Homo sapiens	Nerve growth factor receptor Trk-A	5.8	5.8	7.3	pIC50	2
Homo sapiens	Neurotrophic tyrosine kinase receptor type 2	5.9	5.9	8	pIC50	2

2X7G - chain A | SRSF protein kinase 2