6I2Y - chain A | Serine/threonine kinase 10
Structure information
PDB:6I2Y
PubMed:-
Release date:2018-12-12
Resolution:2.56 Å
 
Kinase:STK10 (LOK)
Family:STE20
Group:STE
Species:HUMAN
 
Quality Score:8
Missing Residues:0
Missing Atoms:25
DFG conformation:out
αC-helix conformation:in
Salt bridge KIII.17 and EαC.24:No (9.7Å)
 
 
ASP rotation (xDFG.81) :178°
PHE rotation (xDFG.82) :183°
Activation loop position:1.8Å
αC-helix position:19.1Å
 
G-rich loop angle:55.1°
G-rich loop distance:17.2Å
G-rich loop rotation:44.3°
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
UniprotGELGDGAFGKVYKAAAKVIDYIVEIEILATCDPYIVKLLGAWIMIEFCPGGAVDAIMLEFLHSKRIIHRDLKAGNVLMLADFGVS
Structure:GELGDGAFGKVYKAAAKVIDYIVEIEILATCDPYIVKLLGAWIMIEFCPGGAVDAIMLEFLHSKRIIHRDLKAGNVLMLADFGVS


Modified residues
No modified residues identified.
Orthosteric ligand
2D structure of the orthosteric ligand
Ligand HET-code: 88Z
Ligand Name: N-(3-fluoro-4-{[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy}phenyl)-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide

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  • LABELS
  • KLIFS residue #
  • Amino Acid
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  • COLORS
  • Interaction types
  • KLIFS (all res.)
  • KLIFS (interacting res.)
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  • 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 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 IV
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
IV V GK 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 VI c.l VII VIII x
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 V
178
85 S
179

Interaction pattern search
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Binding affinities
ChEMBL ID:CHEMBL1230609
Bioaffinities: 397 records for 194 kinase(s)

Species Kinase (ChEMBL naming) Median Min Max Type Records
Homo sapiensALK tyrosine kinase receptor5.55.55.5pIC501
Homo sapiensALK tyrosine kinase receptor7.27.27.2pKd1
Homo sapiensAMP-activated protein kinase, alpha-1 subunit6.16.16.1pKd1
Homo sapiensAMP-activated protein kinase, alpha-2 subunit5.95.95.9pKd1
Homo sapiensAnkyrin repeat and protein kinase domain-containing protein 15.85.85.8pKd1
Homo sapiensBreakpoint cluster region protein777pKd2
Plasmodium falciparumCalcium-dependent protein kinase 16.66.66.6pKd1
Homo sapiensCaM kinase I alpha5.25.25.2pKd1
Homo sapiensCaM kinase I delta5.35.35.3pKd1
Homo sapiensCaM-kinase kinase alpha6.36.36.3pKd1
Homo sapiensCaM-kinase kinase beta5.45.45.4pKd1
Homo sapiensCasein kinase I epsilon5.35.35.3pKd1
Homo sapiensCasein kinase II alpha (prime)5.65.65.6pKd1
Homo sapiensCell division cycle 2-like protein kinase 67.17.17.1pKd1
Homo sapiensCell division protein kinase 86.96.96.9pKd1
Homo sapiensCitron Rho-interacting kinase5.55.55.5pKd1
Homo sapiensc-Jun N-terminal kinase 15.25.25.2pKd1
Homo sapiensc-Jun N-terminal kinase 26.26.26.2pKd1
Homo sapiensc-Jun N-terminal kinase 35.45.45.4pKd1
Homo sapiensCyclin-dependent kinase 136.76.76.7pKd1
Homo sapiensCyclin-dependent kinase 78.48.48.4pKd1
Homo sapiensCyclin-dependent kinase 95.85.85.8pKd1
Homo sapiensCyclin-dependent kinase-like 26.66.66.6pKd1
Homo sapiensCyclin-dependent kinase-like 35.45.45.4pKd1
Homo sapiensCyclin-dependent kinase-like 55.65.65.6pKd1
Homo sapiensDeath-associated protein kinase 35.55.55.5pKd1
Homo sapiensDiscoidin domain-containing receptor 26.76.78.4pKd2
Homo sapiensDual serine/threonine and tyrosine protein kinase6.36.36.3pKd1
Homo sapiensDual specificity mitogen-activated protein kinase kinase 15.45.47.9pKd2
Homo sapiensDual specificity mitogen-activated protein kinase kinase 2667.9pKd2
Homo sapiensDual specificity mitogen-activated protein kinase kinase 56.86.88.6pKd2
Homo sapiensDual specificity protein kinase CLK46.16.16.1pKd1
Homo sapiensDual specificity protein kinase TTK6.46.46.4pKd1
Homo sapiensDual specificity testis-specific protein kinase 16.66.66.6pKd1
Homo sapiensDual-specificity tyrosine-phosphorylation regulated kinase 25.75.75.7pKd1
Homo sapiensDual specificty protein kinase CLK16.36.36.3pKd1
Homo sapiensEphrin type-A receptor 15.85.88.2pKd2
Homo sapiensEphrin type-A receptor 27.27.28.4pKd2
Homo sapiensEphrin type-A receptor 3999pKd1
Homo sapiensEphrin type-A receptor 4668.7pKd2
Homo sapiensEphrin type-A receptor 56.76.78.2pKd2
Homo sapiensEphrin type-A receptor 6999pKd1
Homo sapiensEphrin type-A receptor 78.38.38.6pKd2
Homo sapiensEphrin type-A receptor 88.78.78.7pKd1
Homo sapiensEphrin type-B receptor 17.97.97.9pKd1
Homo sapiensEphrin type-B receptor 25.35.38.4pKd2
Homo sapiensEphrin type-B receptor 35.25.27.1pKd2
Homo sapiensEphrin type-B receptor 46.16.17.9pKd2
Homo sapiensEphrin type-B receptor 66.26.28.9pKd2
Homo sapiensEpidermal growth factor receptor erbB15.55.55.5pIC504
Homo sapiensEpidermal growth factor receptor erbB16.55.87.1pKd12
Homo sapiensEpithelial discoidin domain-containing receptor 19.77.29.7pKd3
Homo sapiensEukaryotic translation initiation factor 2-alpha kinase 1666pKd1
Homo sapiensFibroblast growth factor receptor 16.26.26.2pKd1
Homo sapiensFibroblast growth factor receptor 26.16.16.1pKd1
Homo sapiensFibroblast growth factor receptor 35.85.86pKd2
Homo sapiensFocal adhesion kinase 16.86.86.8pKd1
Homo sapiensHepatocyte growth factor receptor8.86.79.4pIC5050
Homo sapiensHepatocyte growth factor receptor8.979.1pKd4
Homo sapiensHomeodomain-interacting protein kinase 16.46.46.4pKd1
Homo sapiensHomeodomain-interacting protein kinase 26.76.76.7pKd1
Homo sapiensHomeodomain-interacting protein kinase 37.47.47.4pKd1
Homo sapiensHomeodomain-interacting protein kinase 49.39.39.3pKd1
Homo sapiensHormonally up-regulated neu tumor-associated kinase5.35.35.3pKd1
Homo sapiensInhibitor of nuclear factor kappa B kinase alpha subunit5.25.25.2pKd1
Homo sapiensInhibitor of nuclear factor kappa B kinase epsilon subunit5.95.95.9pKd1
Homo sapiensInsulin-like growth factor I receptor6.46.46.4pKd1
Homo sapiensInsulin receptor6.76.76.7pKd1
Homo sapiensInsulin receptor-related protein7.37.37.3pKd1
Homo sapiensInterleukin-1 receptor-associated kinase 36.46.46.4pKd1
Homo sapiensLeukocyte tyrosine kinase receptor777pKd1
Homo sapiensLIM domain kinase 16.26.26.2pKd1
Homo sapiensLIM domain kinase 25.85.85.8pKd1
Homo sapiensMacrophage colony stimulating factor receptor8.78.78.7pKd1
Homo sapiensMacrophage-stimulating protein receptor8.58.58.5pIC507
Homo sapiensMacrophage-stimulating protein receptor778.5pKd2
Homo sapiensMAP kinase-interacting serine/threonine-protein kinase MNK17.17.17.1pKd1
Homo sapiensMAP kinase p38 alpha6.56.56.5pKd1
Homo sapiensMAP kinase p38 beta6.16.16.1pKd1
Homo sapiensMAP kinase p38 delta7.37.37.3pKd1
Homo sapiensMAP kinase p38 gamma6.46.46.4pKd1
Homo sapiensMAP kinase signal-integrating kinase 28.48.48.4pKd1
Homo sapiensMaternal embryonic leucine zipper kinase6.56.56.5pKd1
Homo sapiensMisshapen-like kinase 15.65.65.6pKd1
Homo sapiensMitogen-activated protein kinase 157.17.17.1pKd1
Homo sapiensMitogen-activated protein kinase kinase kinase 106.36.36.3pKd1
Homo sapiensMitogen-activated protein kinase kinase kinase 116.56.56.5pKd2
Homo sapiensMitogen-activated protein kinase kinase kinase 127.77.77.7pKd1
Homo sapiensMitogen-activated protein kinase kinase kinase 137.87.87.8pKd1
Homo sapiensMitogen-activated protein kinase kinase kinase 25.75.75.7pKd1
Homo sapiensMitogen-activated protein kinase kinase kinase 35.35.35.3pKd1
Homo sapiensMitogen-activated protein kinase kinase kinase 45.75.75.7pKd1
Homo sapiensMitogen-activated protein kinase kinase kinase 76.36.36.3pKd1
Homo sapiensMitogen-activated protein kinase kinase kinase 9666pKd1
Homo sapiensMitogen-activated protein kinase kinase kinase kinase 17.47.47.4pKd1
Homo sapiensMitogen-activated protein kinase kinase kinase kinase 25.75.75.7pKd1
Homo sapiensMitogen-activated protein kinase kinase kinase kinase 3777pKd1
Homo sapiensMitogen-activated protein kinase kinase kinase kinase 46.76.76.7pKd1
Homo sapiensMitogen-activated protein kinase kinase kinase kinase 56.36.38.4pKd2
Homo sapiensMixed lineage kinase 77.37.37.4pKd2
Homo sapiensMuscle, skeletal receptor tyrosine protein kinase7.97.97.9pKd1
Homo sapiensMyosin IIIA5.65.65.6pKd1
Homo sapiensMyosin-IIIB6.26.26.2pKd1
Homo sapiensMyosin light chain kinase5.55.55.5pKd1
Homo sapiensmyosin light chain kinase 25.65.65.6pKd1
Homo sapiensNerve growth factor receptor Trk-A7.37.38.3pKd2
Homo sapiensNeurotrophic tyrosine kinase receptor type 28.48.48.4pKd1
Homo sapiensNon-receptor tyrosine-protein kinase TNK15.65.67.7pKd2
Homo sapiensNT-3 growth factor receptor8.58.58.5pKd1
Homo sapiensPhosphatidylinositol-5-phosphate 4-kinase type-2 gamma777.6pKd2
Homo sapiensPITSLRE serine/threonine-protein kinase CDC2L16.26.26.2pKd1
Homo sapiensPITSLRE serine/threonine-protein kinase CDC2L26.36.36.3pKd1
Homo sapiensPlatelet-derived growth factor receptor alpha8.38.28.4pIC504
Homo sapiensPlatelet-derived growth factor receptor alpha8.48.48.4pKd1
Homo sapiensPlatelet-derived growth factor receptor beta888pIC503
Homo sapiensPlatelet-derived growth factor receptor beta999pKd1
Homo sapiensProtein kinase C nu5.15.15.1pKd1
Homo sapiensProtein tyrosine kinase 2 beta6.26.27.9pKd2
Homo sapiensProto-oncogene tyrosine-protein kinase MER9.69.69.6pKd1
Homo sapiensProto-oncogene tyrosine-protein kinase ROS888pIC501
Homo sapiensProto-oncogene tyrosine-protein kinase ROS7.97.97.9pKd1
Homo sapiensProto-oncogene tyrosine-protein kinase ROS7.87.78.1pKi3
Homo sapiensReceptor-interacting serine/threonine-protein kinase 16.16.16.1pKd1
Homo sapiensReceptor-interacting serine/threonine-protein kinase 36.86.86.8pKd1
Homo sapiensReceptor-interacting serine/threonine-protein kinase 46.16.16.1pKd1
Homo sapiensReceptor protein-tyrosine kinase erbB-26.26.26.2pKd1
Homo sapiensReceptor protein-tyrosine kinase erbB-46.26.26.2pKd1
Homo sapiensReceptor tyrosine-protein kinase erbB-35.85.85.8pKd1
Homo sapiensRho-associated protein kinase 25.85.85.8pKd1
Homo sapiensRibosomal protein S6 kinase 15.95.95.9pKd1
Homo sapiensRibosomal protein S6 kinase alpha 25.35.35.3pKd2
Homo sapiensSerine/threonine-protein kinase 109.39.39.3pKd1
Homo sapiensSerine/threonine-protein kinase 28.58.58.5pKd1
Homo sapiensSerine/threonine-protein kinase 255.25.25.2pKd1
Homo sapiensSerine/threonine-protein kinase 33777pKd1
Homo sapiensSerine/threonine-protein kinase 356.66.66.6pKd1
Homo sapiensSerine/threonine-protein kinase 366.86.86.8pKd1
Homo sapiensSerine/threonine-protein kinase Aurora-A5.95.86.4pKd3
Homo sapiensSerine/threonine-protein kinase Aurora-B6.66.67.4pKd2
Homo sapiensSerine/threonine-protein kinase Aurora-C7.97.97.9pKd1
Homo sapiensSerine/threonine-protein kinase B-raf5.55.55.6pKd2
Homo sapiensSerine/threonine-protein kinase Chk27.27.27.2pKd1
Homo sapiensSerine/threonine-protein kinase MAK5.85.85.8pKd1
Homo sapiensSerine/threonine-protein kinase MRCK-A6.26.26.2pKd1
Homo sapiensSerine/threonine-protein kinase MRCK beta6.56.56.5pKd1
Homo sapiensSerine/threonine-protein kinase MRCK gamma6.86.86.8pKd1
Homo sapiensSerine/threonine-protein kinase MST1666pKd1
Homo sapiensSerine/threonine-protein kinase NEK96.36.36.3pKd1
Homo sapiensSerine/threonine protein kinase NLK6.86.86.8pKd1
Homo sapiensSerine/threonine-protein kinase PAK 35.45.45.4pKd1
Homo sapiensSerine/threonine-protein kinase PCTAIRE-16.16.16.1pKd1
Homo sapiensSerine/threonine-protein kinase PCTAIRE-26.86.86.8pKd1
Homo sapiensSerine/threonine-protein kinase PCTAIRE-36.66.66.6pKd1
Homo sapiensSerine/threonine-protein kinase PFTAIRE-17.57.57.5pKd1
Homo sapiensSerine/threonine-protein kinase PFTAIRE-27.57.57.5pKd1
Homo sapiensSerine/threonine-protein kinase PLK4778.5pKd2
Homo sapiensSerine/threonine-protein kinase RAF5.45.45.4pKd1
Homo sapiensSerine/threonine-protein kinase RIPK27.37.37.7pKd2
Homo sapiensSerine/threonine-protein kinase SIK16.86.86.8pKd1
Homo sapiensSerine/threonine-protein kinase SIK26.26.26.2pKd1
Homo sapiensSerine/threonine-protein kinase TAO15.45.45.4pKd1
Homo sapiensSerine/threonine-protein kinase TAO25.25.25.2pKd1
Homo sapiensSerine/threonine-protein kinase TBK16.16.16.1pKd1
Homo sapiensSerine/threonine-protein kinase TNNI3K6.96.96.9pKd1
Homo sapiensSerine/threonine-protein kinase ULK36.46.46.4pKd1
Homo sapiensSPS1/STE20-related protein kinase YSK48.38.38.3pKd1
Homo sapiensStem cell growth factor receptor8.28.28.4pIC507
Homo sapiensStem cell growth factor receptor8.57.48.7pKd8
Homo sapiensTRAF2- and NCK-interacting kinase5.45.46.7pKd2
Homo sapiensTyrosine kinase non-receptor protein 26.76.76.7pKd1
Homo sapiensTyrosine-protein kinase ABL7.36.58.4pKd16
Homo sapiensTyrosine-protein kinase ABL27.37.37.6pKd2
Homo sapiensTyrosine-protein kinase BLK8.38.38.3pKd1
Homo sapiensTyrosine-protein kinase BMX6.76.76.7pKd1
Homo sapiensTyrosine-protein kinase BRK6.46.48.4pKd2
Homo sapiensTyrosine-protein kinase BTK6.46.47.1pKd2
Homo sapiensTyrosine-protein kinase CSK6.96.96.9pKd1
Homo sapiensTyrosine-protein kinase FER6.46.47.4pKd2
Homo sapiensTyrosine-protein kinase FES777pKd1
Homo sapiensTyrosine-protein kinase FGR7.47.47.4pKd1
Homo sapiensTyrosine-protein kinase FRK7.67.68.4pKd2
Homo sapiensTyrosine-protein kinase FYN7.17.17.1pKd1
Homo sapiensTyrosine-protein kinase HCK7.27.27.8pKd2
Homo sapiensTyrosine-protein kinase ITK/TSK7.27.27.2pKd1
Homo sapiensTyrosine-protein kinase JAK25.85.85.8pKd2
Homo sapiensTyrosine-protein kinase LCK7.47.48.2pKd2
Homo sapiensTyrosine-protein kinase Lyn778pKd2
Homo sapiensTyrosine-protein kinase receptor FLT38.38.38.4pIC507
Homo sapiensTyrosine-protein kinase receptor FLT38.87.29.1pKd9
Homo sapiensTyrosine-protein kinase receptor RET8.88.29.2pKd5
Homo sapiensTyrosine-protein kinase receptor Tie-19.19.19.1pKd1
Homo sapiensTyrosine-protein kinase receptor TYRO38.78.78.7pKd1
Homo sapiensTyrosine-protein kinase receptor UFO888pIC501
Homo sapiensTyrosine-protein kinase receptor UFO101010pKd1
Homo sapiensTyrosine-protein kinase SRC7.67.67.7pKd2
Homo sapiensTyrosine-protein kinase Srms7.87.87.8pKd1
Homo sapiensTyrosine-protein kinase SYK6.66.66.6pKd1
Homo sapiensTyrosine-protein kinase TEC6.56.56.5pKd1
Homo sapiensTyrosine-protein kinase TIE-2999pIC501
Homo sapiensTyrosine-protein kinase TIE-28.58.58.5pKd1
Homo sapiensTyrosine-protein kinase TXK6.36.36.3pKd1
Homo sapiensTyrosine-protein kinase TYK25.35.35.3pKd2
Homo sapiensTyrosine-protein kinase YES7.37.37.3pKd1
Homo sapiensVascular endothelial growth factor receptor 18.28.19.1pIC504
Homo sapiensVascular endothelial growth factor receptor 18.48.48.4pKd1
Homo sapiensVascular endothelial growth factor receptor 29.17.89.1pIC5015
Homo sapiensVascular endothelial growth factor receptor 27.97.97.9pKd1
Homo sapiensVascular endothelial growth factor receptor 38.68.68.6pIC503
Homo sapiensVascular endothelial growth factor receptor 38.88.88.8pKd1