4QMU - chain A (model B) | Serine/threonine kinase 24
Structure information
PDB:4QMU
PubMed:27135311
Release date:2015-07-01
Resolution:1.55 Å
 
Kinase:STK24 (MST3)
Family:STE20
Group:STE
Species:HUMAN
 
Quality Score:8
Missing Residues:0
Missing Atoms:0
DFG conformation:in
αC-helix conformation:in
Salt bridge KIII.17 and EαC.24:Yes (2.6Å)
 
 
ASP rotation (xDFG.81) :
PHE rotation (xDFG.82) :14°
Activation loop position:-3.2Å
αC-helix position:17.5Å
 
G-rich loop angle:60.5°
G-rich loop distance:17.5Å
G-rich loop rotation:72.7°
Other models from this PDB:
2D & 3D views

The orthosteric binding pocket
Binding pocket waters
The following waters were found in the defined clusters:
I1
H-bond protein
I4
H-bond protein
I5
H-bond ligand
H-bond protein
I11
H-bond ligand
H-bond protein
Binding pocket sequence
UniprotEKIGKGSFGEVFKVAIKIIDIQQEITVLSQCDPYVTKYYGSWIIMEYLGGGSALDLLEPYLHSEKKIHRDIKAANVLLLADFGVA
Structure:EKIGKGSFGEVFKVAIKIIDIQQEITVLSQCDPYVTKYYGSWIIMEYLGGGSALDLLEPYLHSEKKIHRDIKAANVLLLADFGVA


Modified residues
Residue 178 (not in pocket)
Phosphorylated threonine
Orthosteric ligand
2D structure of the orthosteric ligand
Ligand HET-code: SKE
Ligand Name: 4-({5-amino-1-[(2,6-difluorophenyl)carbonyl]-1H-1,2,4-triazol-3-yl}amino)benzenesulfonamide

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  • KLIFS residue #
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  • COLORS
  • Interaction types
  • KLIFS (all res.)
  • KLIFS (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 E
28
2 K
29
3 I
30
4 G
31
5 K
32
6 G
33
7 S
34
8 F
35
9 G
36
10 E
37
11 V
38
12 F
39
13 K
40
14 V
50
15 A
51
16 I
52
17 K
53
18 I
54
19 I
55
20 D
66
αC b.l IV
21 I
67
22 Q
68
23 Q
69
24 E
70
25 I
71
26 T
72
27 V
73
28 L
74
29 S
75
30 Q
76
31 C
77
32 D
78
33 P
80
34 Y
81
35 V
82
36 T
83
37 K
84
38 Y
85
39 Y
86
40 G
87
IV V GK hinge linker αD αE
41 S
88
42 W
96
43 I
97
44 I
98
45 M
99
46 E
100
47 Y
101
48 L
102
49 G
103
50 G
104
51 G
105
52 S
106
53 A
107
54 L
108
55 D
109
56 L
110
57 L
111
58 E
112
59 P
113
60 Y
134
αE VI c.l VII VIII x
61 L
135
62 H
136
63 S
137
64 E
138
65 K
139
66 K
140
67 I
141
68 H
142
69 R
143
70 D
144
71 I
145
72 K
146
73 A
147
74 A
148
75 N
149
76 V
150
77 L
151
78 L
152
79 L
160
80 A
161
DFG a.l
81 D
162
82 F
163
83 G
164
84 V
165
85 A
166

Interaction pattern search
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Binding affinities
ChEMBL ID:CHEMBL191003
Bioaffinities: 259 records for 154 kinase(s)

Species Kinase (ChEMBL naming) Median Min Max Type Records
Homo sapiens3-phosphoinositide dependent protein kinase-15.55.55.5pKd1
Homo sapiensActivin receptor type-15.25.25.2pKd1
Homo sapiensActivin receptor type-15.55.55.5pKi1
Homo sapiensActivin receptor type-2A5.55.55.5pKd1
Homo sapiensActivin receptor type-2B5.25.25.2pKd1
Homo sapiensAdaptor-associated kinase6.76.76.7pKd1
Homo sapiensALK tyrosine kinase receptor5.25.25.2pKd1
Homo sapiensALK tyrosine kinase receptor5.95.95.9pKi1
Homo sapiensAMP-activated protein kinase, alpha-1 subunit5.85.85.8pKd1
Homo sapiensAMP-activated protein kinase, alpha-1 subunit6.36.36.3pKi1
Homo sapiensAMP-activated protein kinase, alpha-2 subunit5.85.85.8pKd1
Homo sapiensAnkyrin repeat and protein kinase domain-containing protein 16.36.36.3pKd1
Homo sapiensBMP-2-inducible protein kinase6.86.86.8pKd1
Homo sapiensBone morphogenetic protein receptor type-26.16.16.1pKd1
Homo sapiensBR serine/threonine-protein kinase 15.25.25.2pKd1
Homo sapiensBR serine/threonine-protein kinase 25.65.65.6pKd1
Homo sapiensCaM-kinase kinase alpha5.55.55.5pKd1
Homo sapiensCaM-kinase kinase beta5.65.65.6pKd1
Homo sapiensCaM-kinase kinase beta7.27.27.2pKi1
Homo sapiensCasein kinase I epsilon5.45.45.4pKd1
Homo sapiensCasein kinase I gamma 15.95.95.9pKd1
Homo sapiensCasein kinase I gamma 26.16.16.1pKd1
Homo sapiensCasein kinase II alpha (prime)5.75.75.7pKd1
Homo sapiensCasein kinase I isoform gamma-35.15.15.1pKd1
Homo sapiensChaperone activity of bc1 complex-like, mitochondrial5.95.95.9pKd1
Homo sapiensc-Jun N-terminal kinase 15.85.85.8pKd1
Homo sapiensc-Jun N-terminal kinase 16.26.26.2pKi1
Homo sapiensc-Jun N-terminal kinase 35.95.95.9pKd1
Homo sapiensc-Jun N-terminal kinase 36.56.56.5pKi1
Homo sapiensCyclin-dependent kinase 18.28.28.2pIC501
Homo sapiensCyclin-dependent kinase 28.78.78.7pIC501
Homo sapiensCyclin-dependent kinase 27.67.67.6pKd1
Homo sapiensCyclin-dependent kinase 36.86.86.8pKd1
Homo sapiensCyclin-dependent kinase 57.97.97.9pIC501
Homo sapiensCyclin-dependent kinase 56.66.66.6pKd1
Homo sapiensCyclin-dependent kinase 59.39.39.3pKi1
Homo sapiensCyclin-dependent kinase 76.16.16.1pKd1
Homo sapiensCyclin-dependent kinase 76.26.26.2pKi1
Homo sapiensCyclin-dependent kinase 96.36.36.3pKd1
Homo sapiensCyclin-dependent kinase 97.87.87.8pKi1
Homo sapiensDeath-associated protein kinase 35.35.35.3pKd1
Homo sapiensDeath-associated protein kinase 35.75.75.7pKi1
Homo sapiensDual specificity mitogen-activated protein kinase kinase 15.85.85.8pKd1
Homo sapiensDual specificity mitogen-activated protein kinase kinase 15.75.75.7pKi1
Homo sapiensDual specificity mitogen-activated protein kinase kinase 25.35.35.3pKd1
Homo sapiensDual specificity mitogen-activated protein kinase kinase 25.45.45.4pKi1
Homo sapiensDual specificity mitogen-activated protein kinase kinase 35.85.85.8pKd1
Homo sapiensDual specificity mitogen-activated protein kinase kinase 46.26.26.2pKd1
Homo sapiensDual specificity mitogen-activated protein kinase kinase 6666pKd1
Homo sapiensDual specificity protein kinase CLK26.56.56.5pKd1
Homo sapiensDual specificity protein kinase CLK26.26.26.2pKi1
Homo sapiensDual specificity protein kinase CLK36.56.56.5pKd1
Homo sapiensDual specificity protein kinase CLK45.85.85.8pKd1
Homo sapiensDual specificity protein kinase CLK46.76.76.7pKi1
Homo sapiensDual specificity protein kinase TTK6.76.76.7pKd1
Homo sapiensDual specificity testis-specific protein kinase 15.55.55.5pKd1
Homo sapiensDual specificty protein kinase CLK16.26.26.2pKd1
Homo sapiensEphrin type-A receptor 75.55.55.5pKd1
Homo sapiensEukaryotic translation initiation factor 2-alpha kinase 45.45.45.4pKd1
Homo sapiensFibroblast growth factor receptor 16.16.16.1pKd1
Homo sapiensFibroblast growth factor receptor 16.56.56.5pKi1
Homo sapiensFibroblast growth factor receptor 26.76.76.7pIC501
Homo sapiensFibroblast growth factor receptor 26.26.26.2pKd1
Homo sapiensFibroblast growth factor receptor 36.26.26.3pKd2
Homo sapiensGlycogen synthase kinase-3 alpha6.86.86.8pKd1
Homo sapiensGlycogen synthase kinase-3 alpha6.86.86.8pKi1
Homo sapiensGlycogen synthase kinase-3 beta666pKd1
Homo sapiensGlycogen synthase kinase-3 beta6.86.86.8pKi1
Homo sapiensG protein-coupled receptor kinase 5666pKi1
Homo sapiensHepatocyte growth factor receptor6.26.26.2pKd1
Homo sapiensHepatocyte growth factor receptor6.46.46.4pKi1
Homo sapiensInhibitor of nuclear factor kappa B kinase epsilon subunit5.15.15.1pKd1
Homo sapiensInterferon-induced, double-stranded RNA-activated protein kinase5.25.25.2pKd1
Homo sapiensInterleukin-1 receptor-associated kinase 35.55.55.5pKd1
Homo sapiensLeucine-rich repeat serine/threonine-protein kinase 27.17.17.1pKi1
Homo sapiensLIM domain kinase 16.26.26.2pKd1
Homo sapiensLIM domain kinase 16.76.76.7pKi1
Homo sapiensLIM domain kinase 2666pKd1
Homo sapiensMacrophage colony stimulating factor receptor5.45.45.4pKd1
Homo sapiensMacrophage colony stimulating factor receptor5.95.95.9pKi1
Homo sapiensMacrophage-stimulating protein receptor777pKi1
Homo sapiensMAP/microtubule affinity-regulating kinase 25.95.95.9pKd1
Homo sapiensMAP/microtubule affinity-regulating kinase 46.26.26.2pKd1
Homo sapiensMAP/microtubule affinity-regulating kinase 4777pKi1
Homo sapiensMaternal embryonic leucine zipper kinase6.26.26.2pKi1
Homo sapiensMitogen-activated protein kinase 15666pKd1
Homo sapiensMitogen-activated protein kinase 45.85.85.8pKd1
Homo sapiensMitogen-activated protein kinase 66.36.36.3pKd1
Homo sapiensMitogen-activated protein kinase 76.36.36.3pKd1
Homo sapiensMitogen-activated protein kinase kinase kinase 95.45.45.4pKd1
Homo sapiensMitogen-activated protein kinase kinase kinase kinase 16.96.96.9pKd1
Homo sapiensMitogen-activated protein kinase kinase kinase kinase 25.85.85.8pKi1
Homo sapiensMitogen-activated protein kinase kinase kinase kinase 36.16.16.1pKd1
Homo sapiensMitogen-activated protein kinase kinase kinase kinase 55.75.75.7pKd1
Homo sapiensMyosin light chain kinase, smooth muscle5.75.75.7pKd1
Homo sapiensMyotonin-protein kinase5.95.95.9pKd1
Homo sapiensNeurotrophic tyrosine kinase receptor type 25.75.75.7pKi1
Homo sapiensNUAK family SNF1-like kinase 16.86.86.8pKd1
Homo sapiensNUAK family SNF1-like kinase 27.67.67.6pKd1
Homo sapiensPhosphatidylinositol-4-phosphate 5-kinase type-1 alpha555pKd1
Homo sapiensPhosphatidylinositol-5-phosphate 4-kinase type-2 beta5.95.95.9pKd1
Homo sapiensPITSLRE serine/threonine-protein kinase CDC2L16.86.86.8pKd1
Homo sapiensPITSLRE serine/threonine-protein kinase CDC2L2777pKd1
Homo sapiensPlatelet-derived growth factor receptor alpha5.45.45.4pKd1
Homo sapiensPlatelet-derived growth factor receptor beta666pKd1
Homo sapiensProtein kinase C delta5.45.45.4pKd1
Homo sapiensProtein kinase C mu5.15.15.1pKd1
Homo sapiensProtein kinase C nu5.45.45.4pKd1
Homo sapiensProtein kinase C nu5.75.75.7pKi1
Homo sapiensProtein kinase C theta5.45.45.4pKd1
Homo sapiensProtein kinase N25.75.75.7pKd1
Homo sapiensProto-oncogene tyrosine-protein kinase MER5.65.65.6pKd1
Homo sapiensProto-oncogene tyrosine-protein kinase ROS6.36.36.3pKi1
Homo sapiensReceptor-interacting serine/threonine-protein kinase 15.85.85.8pKd1
Homo sapiensRho-associated protein kinase 16.96.96.9pKi1
Homo sapiensRho-associated protein kinase 27.27.27.2pKi1
Homo sapiensRibosomal protein S6 kinase alpha 15.45.45.4pKd2
Homo sapiensRibosomal protein S6 kinase alpha 26.46.46.4pKd2
Homo sapiensRibosomal protein S6 kinase alpha 3666pKi2
Homo sapiensRibosomal protein S6 kinase alpha 45.55.55.5pKd2
Homo sapiensSerine/threonine-protein kinase 10777pKd1
Homo sapiensSerine/threonine-protein kinase 166.96.96.9pKd1
Homo sapiensSerine/threonine-protein kinase 17A5.35.35.3pKd1
Homo sapiensSerine/threonine-protein kinase 27.37.37.3pKd1
Homo sapiensSerine/threonine-protein kinase 246.86.86.8pKd1
Homo sapiensSerine/threonine-protein kinase 256.46.46.4pKd1
Homo sapiensSerine/threonine-protein kinase Aurora-A888pIC501
Homo sapiensSerine/threonine-protein kinase Aurora-A7.26.67.5pKd6
Homo sapiensSerine/threonine-protein kinase Aurora-A7.37.37.3pKi1
Homo sapiensSerine/threonine-protein kinase Aurora-B8.48.48.4pIC501
Homo sapiensSerine/threonine-protein kinase Aurora-B6.86.86.8pKd1
Homo sapiensSerine/threonine-protein kinase Aurora-B7.47.47.4pKi1
Homo sapiensSerine/threonine-protein kinase Aurora-C7.17.17.1pKd1
Homo sapiensSerine/threonine-protein kinase c-TAK16.26.26.2pKd1
Homo sapiensSerine/threonine-protein kinase c-TAK16.16.16.1pKi1
Homo sapiensSerine/threonine-protein kinase DCLK15.65.65.6pKd1
Homo sapiensSerine/threonine-protein kinase DCLK25.45.45.4pKd1
Homo sapiensSerine/threonine-protein kinase DCLK35.25.25.2pKd1
Homo sapiensSerine/threonine-protein kinase GAK5.65.65.6pKd1
Homo sapiensSerine/threonine-protein kinase MARK16.26.26.2pKd1
Homo sapiensSerine/threonine-protein kinase MST16.96.96.9pKd1
Homo sapiensSerine/threonine-protein kinase MST27.27.27.2pKd1
Homo sapiensSerine/threonine-protein kinase MST26.76.76.7pKi1
Homo sapiensSerine/threonine-protein kinase MST46.76.76.7pKd1
Homo sapiensSerine/threonine-protein kinase PAK 35.75.75.7pKd1
Homo sapiensSerine/threonine-protein kinase PAK 45.65.65.6pKd1
Homo sapiensSerine/threonine-protein kinase PAK 45.95.95.9pKi1
Homo sapiensSerine/threonine-protein kinase PAK65.95.95.9pKd1
Homo sapiensSerine/threonine-protein kinase PAK76.16.16.1pKd1
Homo sapiensSerine/threonine-protein kinase PCTAIRE-17.67.67.6pKd1
Homo sapiensSerine/threonine-protein kinase PCTAIRE-26.56.56.5pKd1
Homo sapiensSerine/threonine-protein kinase PCTAIRE-35.75.75.7pKd1
Homo sapiensSerine/threonine-protein kinase PFTAIRE-15.45.45.4pKd1
Homo sapiensSerine/threonine-protein kinase PLK15.35.35.3pKd1
Homo sapiensSerine/threonine-protein kinase PLK35.25.25.2pKd1
Homo sapiensSerine/threonine-protein kinase PLK46.96.96.9pKd1
Homo sapiensSerine/threonine-protein kinase receptor R35.55.55.5pKd1
Homo sapiensSerine/threonine-protein kinase RIO1666pKd1
Homo sapiensSerine/threonine-protein kinase RIO35.95.95.9pKd1
Homo sapiensSerine/threonine-protein kinase SIK15.75.75.7pKd1
Homo sapiensSerine/threonine-protein kinase SIK25.85.85.8pKd1
Homo sapiensSerine/threonine-protein kinase SIK26.66.66.6pKi1
Homo sapiensSerine/threonine-protein kinase SRPK15.65.65.6pKd1
Homo sapiensSerine/threonine-protein kinase TAO17.67.67.6pKi1
Homo sapiensSerine/threonine-protein kinase TNNI3K5.95.95.9pKd1
Homo sapiensSerine/threonine-protein kinase tousled-like 1666pKd1
Homo sapiensSerine/threonine-protein kinase tousled-like 26.16.16.1pKd1
Homo sapiensStem cell growth factor receptor5.85.66.2pKd6
Homo sapiensStem cell growth factor receptor7.17.17.1pKi1
Homo sapiensTyrosine-protein kinase ABL5.95.77.2pKd7
Homo sapiensTyrosine-protein kinase ABL6.46.46.4pKi1
Homo sapiensTyrosine-protein kinase BMX5.35.35.3pKd1
Homo sapiensTyrosine-protein kinase FGR5.75.75.7pKd1
Homo sapiensTyrosine-protein kinase JAK17.77.77.7pKd6
Homo sapiensTyrosine-protein kinase JAK2555.5pIC504
Homo sapiensTyrosine-protein kinase JAK26.76.17.5pKd22
Homo sapiensTyrosine-protein kinase JAK2777pKi2
Homo sapiensTyrosine-protein kinase JAK36.86.86.8pKd4
Homo sapiensTyrosine-protein kinase JAK36.76.76.7pKi2
Homo sapiensTyrosine-protein kinase LCK5.65.65.6pKi1
Homo sapiensTyrosine-protein kinase receptor FLT36.15.96.2pKd5
Homo sapiensTyrosine-protein kinase receptor RET5.45.46pKd2
Homo sapiensTyrosine-protein kinase receptor RET6.26.26.2pKi1
Homo sapiensTyrosine-protein kinase receptor Tie-16.66.66.6pKd1
Homo sapiensTyrosine-protein kinase receptor TYRO36.16.16.1pKi1
Homo sapiensTyrosine-protein kinase receptor UFO5.75.75.7pKd1
Homo sapiensTyrosine-protein kinase SYK5.95.95.9pKd1
Homo sapiensTyrosine-protein kinase TEC666pKd1
Homo sapiensTyrosine-protein kinase TIE-2666pKd1
Homo sapiensTyrosine-protein kinase TYK27.57.57.5pKd4
Homo sapiensVascular endothelial growth factor receptor 15.75.75.7pKd1
Homo sapiensVascular endothelial growth factor receptor 1666pKi1
Homo sapiensVascular endothelial growth factor receptor 26.96.96.9pIC501
Homo sapiensVascular endothelial growth factor receptor 25.45.45.4pKd1
Homo sapiensVascular endothelial growth factor receptor 26.66.66.6pKi1
Homo sapiensVascular endothelial growth factor receptor 3666pKd1