KLIFS - the structural kinase database

6GTT - chain A (model A) | Serine/threonine kinase 10

Structure information


PDB:	6GTT
PubMed:	-
Release date:	2018-06-27
Resolution:	2.25 Å

Kinase:	STK10 (LOK)
Family:	STE20
Group:	STE
Species:	HUMAN

Quality Score:	8.5
Missing Residues:	2
Missing Atoms:	7

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


ASP rotation (xDFG.81) :	200°
PHE rotation (xDFG.82) :	192°
Activation loop position:	1.7Å
αC-helix position:	19.1Å

G-rich loop angle:	54°
G-rich loop distance:	17.2Å
G-rich loop rotation:	39.3°

Other models from this PDB:

2D & 3D views

Binding pocket waters

No waters were found in the defined clusters

Binding pocket sequence

Uniprot	GELGDGAFGKVYKAAAKVIDYIVEIEILATCDPYIVKLLGAWIMIEFCPGGAVDAIMLEFLHSKRIIHRDLKAGNVLMLADFGVS
Structure:	GELGDGAFGKVYKAAAKVIDYIVEIEILATCDPYIVKLLGAWIMIEFCPGGAVDAIMLEFLHSKRIIHRDLKAGNVLMLADFG__

Modified residues

No modified residues identified.

Orthosteric ligand

Ligand HET-code: B96
Ligand Name: 1-(5-TERT-BUTYL-2-P-TOLYL-2H-PYRAZOL-3-YL)-3-[4-(2-MORPHOLIN-4-YL-ETHOXY)-NAPHTHALEN-1-YL]-UREA

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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.
En/disable resizing interacting res.

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

g.l

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

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

■▲

■

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

c.l

VII

VIII

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 _
_

85 _
_

■▲

■♦

Interaction pattern search

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

Binding affinities

ChEMBL ID:CHEMBL103667
Bioaffinities: 329 records for 92 kinase(s)

Species	Kinase (ChEMBL naming)	Median	Min	Max	Type	Records
Homo sapiens	Activin receptor type-1B	4.4	4.4	4.4	pIC50	1
Homo sapiens	Ankyrin repeat and protein kinase domain-containing protein 1	6	6	6	pKd	2
Homo sapiens	CaM kinase II beta	4.4	4.4	4.4	pIC50	1
Homo sapiens	Cell division cycle 2-like protein kinase 6	6.7	6.7	6.7	pKd	2
Homo sapiens	Cell division protein kinase 8	6.7	6.7	6.7	pKd	2
Homo sapiens	Cell division protein kinase 8	6.8	6.8	6.8	pKi	1
Homo sapiens	Citron Rho-interacting kinase	5.7	5.7	5.7	pKd	2
Homo sapiens	c-Jun N-terminal kinase 1	5	5	5	pKd	1
Homo sapiens	c-Jun N-terminal kinase 2	7.6	6.8	8.2	pIC50	7
Homo sapiens	c-Jun N-terminal kinase 2	8.1	8.1	8.3	pKd	4
Homo sapiens	c-Jun N-terminal kinase 2	8.2	8.2	8.2	pKi	1
Homo sapiens	c-Jun N-terminal kinase 3	5.9	5.9	5.9	pIC50	2
Homo sapiens	c-Jun N-terminal kinase 3	7	7	7.2	pKd	4
Homo sapiens	c-Jun N-terminal kinase 3	7.4	7.4	7.4	pKi	1
Homo sapiens	Cyclin-dependent kinase 13	6	6	6	pKd	1
Homo sapiens	Cyclin-dependent kinase 5	5.7	5.7	6.4	pKd	3
Homo sapiens	Cyclin-dependent kinase 7	5.5	5.5	5.5	pKd	1
Homo sapiens	Discoidin domain-containing receptor 2	7.9	7.2	8	pIC50	3
Homo sapiens	Discoidin domain-containing receptor 2	7.5	7.5	7.7	pKd	5
Homo sapiens	Dual specificity protein kinase TTK	5.5	5.5	5.9	pKd	3
Homo sapiens	Ephrin type-A receptor 1	6.2	6.2	6.2	pIC50	1
Homo sapiens	Ephrin type-A receptor 1	5	5	5	pKd	2
Homo sapiens	Ephrin type-A receptor 2	6.8	6.8	6.8	pIC50	1
Homo sapiens	Ephrin type-A receptor 2	5.2	5.2	5.5	pKd	3
Homo sapiens	Ephrin type-A receptor 3	5.9	5.9	5.9	pIC50	1
Homo sapiens	Ephrin type-A receptor 3	6.1	6.1	6.2	pKd	3
Homo sapiens	Ephrin type-A receptor 4	7.2	7.2	7.2	pIC50	1
Homo sapiens	Ephrin type-A receptor 4	5.5	5.4	5.5	pKd	3
Homo sapiens	Ephrin type-A receptor 5	7.1	7.1	7.1	pIC50	1
Homo sapiens	Ephrin type-A receptor 5	5.9	5.9	5.9	pKd	3
Homo sapiens	Ephrin type-A receptor 6	5.7	5.7	6.4	pKd	3
Homo sapiens	Ephrin type-A receptor 7	6.1	6.1	6.7	pKd	3
Homo sapiens	Ephrin type-A receptor 8	6.6	6.6	6.9	pKd	3
Homo sapiens	Ephrin type-B receptor 1	7	7	7	pIC50	1
Homo sapiens	Ephrin type-B receptor 1	5.3	5.3	5.4	pKd	3
Homo sapiens	Ephrin type-B receptor 2	6.8	6.8	6.8	pIC50	1
Homo sapiens	Ephrin type-B receptor 2	6.4	6.4	6.4	pKd	2
Homo sapiens	Ephrin type-B receptor 3	5	5	5	pIC50	1
Homo sapiens	Ephrin type-B receptor 4	6.1	6.1	6.1	pIC50	1
Homo sapiens	Epidermal growth factor receptor erbB1	5.4	5.4	5.4	pIC50	1
Homo sapiens	Epidermal growth factor receptor erbB1	5.2	5	5.6	pKd	12
Homo sapiens	Epidermal growth factor receptor erbB1	6.7	6.7	6.7	pKi	1
Homo sapiens	Epithelial discoidin domain-containing receptor 1	8.7	8.7	8.7	pKd	3
Homo sapiens	Fibroblast growth factor receptor 1	4.8	4.8	4.8	pIC50	1
Homo sapiens	Fibroblast growth factor receptor 1	5.4	5.4	5.4	pKd	2
Homo sapiens	Fibroblast growth factor receptor 2	4.6	4.6	4.6	pIC50	1
Homo sapiens	Fibroblast growth factor receptor 4	5.2	5.2	5.2	pIC50	1
Homo sapiens	Focal adhesion kinase 1	5.7	5.7	5.7	pIC50	1
Homo sapiens	Focal adhesion kinase 1	5.2	5.2	5.2	pKd	2
Homo sapiens	Leukocyte tyrosine kinase receptor	5.9	5.9	5.9	pKd	2
Homo sapiens	Macrophage colony stimulating factor receptor	5.1	5.1	5.1	pKd	2
Homo sapiens	MAP kinase ERK2	5	5	5	pIC50	1
Homo sapiens	MAP kinase-interacting serine/threonine-protein kinase MNK1	5.2	5.2	5.2	pKd	1
Homo sapiens	MAP kinase p38 alpha	7.7	6.4	10	pIC50	18
Homo sapiens	MAP kinase p38 alpha	9.8	7.9	10.3	pKd	15
Homo sapiens	MAP kinase p38 alpha	8.1	7.7	10	pKi	4
Mus musculus	MAP kinase p38 alpha	10.3	10.3	10.3	pKd	1
Homo sapiens	MAP kinase p38 beta	8.2	8.2	8.2	pIC50	1
Homo sapiens	MAP kinase p38 beta	6.7	5.8	8.1	pKd	3
Homo sapiens	MAP kinase p38 delta	5.7	5.7	6.5	pIC50	2
Homo sapiens	MAP kinase p38 delta	7.1	7.1	7.1	pKd	1
Homo sapiens	MAP kinase p38 delta	7.3	7.3	7.3	pKi	1
Homo sapiens	MAP kinase p38 gamma	6.5	6.5	7.5	pIC50	5
Homo sapiens	MAP kinase p38 gamma	7.9	7.7	8.5	pKd	3
Homo sapiens	MAP kinase p38 gamma	6.3	6.3	6.3	pKi	1
Homo sapiens	MAP kinase signal-integrating kinase 2	5.8	5.8	6	pKd	3
Homo sapiens	MAP/microtubule affinity-regulating kinase 2	4.4	4.4	4.4	pIC50	1
Homo sapiens	Misshapen-like kinase 1	7.4	7.4	7.4	pIC50	1
Homo sapiens	Misshapen-like kinase 1	6.5	6.5	6.5	pKd	1
Homo sapiens	Mitogen-activated protein kinase 15	5.5	5.5	5.5	pKd	2
Homo sapiens	Mitogen-activated protein kinase kinase kinase 7	6.8	6.8	6.8	pKd	1
Homo sapiens	Mitogen-activated protein kinase kinase kinase kinase 4	7.1	7.1	7.1	pKd	2
Homo sapiens	Mitogen-activated protein kinase kinase kinase kinase 4	6.8	6.8	6.8	pKi	1
Homo sapiens	Mixed lineage kinase 7	6.1	6.1	6.1	pKd	2
Homo sapiens	Muscle, skeletal receptor tyrosine protein kinase	5.7	5.7	5.7	pKd	2
Homo sapiens	Nerve growth factor receptor Trk-A	6.8	6.8	6.8	pIC50	1
Homo sapiens	Nerve growth factor receptor Trk-A	6	6	6.1	pKd	3
Homo sapiens	Neurotrophic tyrosine kinase receptor type 2	7.3	7.3	7.3	pIC50	1
Homo sapiens	Neurotrophic tyrosine kinase receptor type 2	6.2	6.2	6.2	pKd	2
Homo sapiens	Neurotrophic tyrosine kinase receptor type 2	6.1	6.1	6.1	pKi	1
Homo sapiens	NT-3 growth factor receptor	6.7	6.7	6.7	pKd	2
Homo sapiens	NT-3 growth factor receptor	6.1	6.1	6.1	pKi	1
Homo sapiens	Platelet-derived growth factor receptor alpha	5.9	5.9	5.9	pKd	2
Homo sapiens	Platelet-derived growth factor receptor beta	5.2	5.2	5.2	pIC50	1
Homo sapiens	Platelet-derived growth factor receptor beta	6	6	6	pKd	3
Homo sapiens	Platelet-derived growth factor receptor beta	5.9	5.9	5.9	pKi	1
Homo sapiens	Protein kinase C beta	4.4	4.4	5.2	pIC50	2
Homo sapiens	Protein kinase C delta	5.7	5.7	5.7	pIC50	1
Homo sapiens	Protein tyrosine kinase 2 beta	4.9	4.9	6.4	pIC50	2
Homo sapiens	Protein tyrosine kinase 2 beta	6	6	6	pKd	2
Homo sapiens	Proto-oncogene tyrosine-protein kinase MER	5.4	5.4	5.4	pKd	2
Homo sapiens	Serine/threonine-protein kinase 10	7.9	7.9	8.2	pKd	3
Homo sapiens	Serine/threonine-protein kinase 2	6.8	6.8	7.1	pKd	3
Homo sapiens	Serine/threonine-protein kinase B-raf	7.1	7.1	7.1	pIC50	1
Homo sapiens	Serine/threonine-protein kinase B-raf	5.6	5.6	5.6	pKd	2
Homo sapiens	Serine/threonine-protein kinase Chk2	4.7	4.7	4.7	pIC50	1
Homo sapiens	Serine/threonine-protein kinase D2	5.5	5.5	5.5	pKi	1
Homo sapiens	Serine/threonine-protein kinase MRCK-A	5	5	5	pKd	2
Homo sapiens	Serine/threonine-protein kinase MRCK beta	6	6	6	pKd	2
Homo sapiens	Serine/threonine-protein kinase MRCK gamma	5.9	5.9	5.9	pKd	2
Homo sapiens	Serine/threonine protein kinase NLK	6	6	6	pKd	2
Homo sapiens	Serine/threonine-protein kinase RAF	5.9	5.9	5.9	pIC50	2
Homo sapiens	Serine/threonine-protein kinase RIPK2	5	5	5	pIC50	1
Homo sapiens	Serine/threonine-protein kinase RIPK2	5.2	5.2	5.2	pKd	1
Homo sapiens	Stem cell growth factor receptor	6.6	5.6	6.8	pKd	11
Homo sapiens	TRAF2- and NCK-interacting kinase	6.9	6.9	8	pKd	4
Homo sapiens	Tyrosine-protein kinase ABL	4.4	4.4	4.4	pIC50	1
Homo sapiens	Tyrosine-protein kinase ABL	5.6	5.1	7.4	pKd	18
Mus musculus	Tyrosine-protein kinase ABL	4.8	4.8	4.8	pIC50	1
Homo sapiens	Tyrosine-protein kinase ABL2	5.9	5.9	5.9	pKd	1
Homo sapiens	Tyrosine-protein kinase BLK	6.2	6.2	6.2	pKd	2
Homo sapiens	Tyrosine-protein kinase FER	4.8	4.8	4.8	pIC50	1
Homo sapiens	Tyrosine-protein kinase FGR	5.1	5.1	5.1	pIC50	1
Homo sapiens	Tyrosine-protein kinase FRK	5.9	5.9	6.4	pKd	4
Homo sapiens	Tyrosine-protein kinase FYN	4.6	4.6	4.6	pIC50	1
Homo sapiens	Tyrosine-protein kinase HCK	5.8	5.8	5.8	pIC50	1
Homo sapiens	Tyrosine-protein kinase LCK	4.5	4.5	5.7	pIC50	2
Homo sapiens	Tyrosine-protein kinase LCK	5.9	5.9	6	pKd	3
Homo sapiens	Tyrosine-protein kinase LCK	5.7	5.7	5.7	pKi	1
Homo sapiens	Tyrosine-protein kinase Lyn	6	6	6	pIC50	1
Homo sapiens	Tyrosine-protein kinase Lyn	5.6	5.6	5.6	pKd	2
Homo sapiens	Tyrosine-protein kinase Lyn	6.2	6.2	6.2	pKi	1
Homo sapiens	Tyrosine-protein kinase receptor FLT3	5.6	5.3	6.1	pKd	7
Homo sapiens	Tyrosine-protein kinase receptor RET	7.5	7.5	7.5	pIC50	1
Homo sapiens	Tyrosine-protein kinase receptor RET	6.3	6.3	6.6	pKd	4
Homo sapiens	Tyrosine-protein kinase receptor Tie-1	8.1	8.1	8.1	pKd	2
Homo sapiens	Tyrosine-protein kinase receptor TYRO3	5.7	5.7	5.7	pKi	1
Homo sapiens	Tyrosine-protein kinase SRC	4.5	4.5	4.5	pIC50	1
Homo sapiens	Tyrosine-protein kinase TIE-2	7.6	7.6	7.6	pIC50	1
Homo sapiens	Tyrosine-protein kinase TIE-2	7.7	7.7	8	pKd	3
Homo sapiens	Tyrosine-protein kinase YES	5.1	5.1	5.1	pIC50	1
Homo sapiens	Tyrosine-protein kinase YES	5.3	5.3	5.3	pKd	2
Homo sapiens	Vascular endothelial growth factor receptor 1	6.6	6.6	6.6	pIC50	1
Homo sapiens	Vascular endothelial growth factor receptor 1	6.4	6.4	6.4	pKd	2
Homo sapiens	Vascular endothelial growth factor receptor 1	5.6	5.6	5.6	pKi	1
Homo sapiens	Vascular endothelial growth factor receptor 2	6.5	6.5	6.5	pIC50	1
Homo sapiens	Vascular endothelial growth factor receptor 2	5.4	5.4	5.5	pKd	3
Homo sapiens	Vascular endothelial growth factor receptor 2	6.6	6.6	6.6	pKi	1
Homo sapiens	Vascular endothelial growth factor receptor 3	6.6	6.6	6.6	pIC50	1
Homo sapiens	Vascular endothelial growth factor receptor 3	5.2	5.2	5.6	pKd	3
Homo sapiens	Vascular endothelial growth factor receptor 3	6	6	6	pKi	1