4O27 - chain B | Serine/threonine kinase 24
Structure information
PDB:4O27
PubMed:24746913
Release date:2014-12-03
Resolution:3.19 Å
 
Kinase:STK24 (MST3)
Family:STE20
Group:STE
Species:HUMAN
 
Quality Score:8
Missing Residues:0
Missing Atoms:20
DFG conformation:in
αC-helix conformation:in
Salt bridge KIII.17 and EαC.24:Yes (2.9Å)
 
 
ASP rotation (xDFG.81) :342°
PHE rotation (xDFG.82) :355°
Activation loop position:-3.5Å
αC-helix position:17.9Å
 
G-rich loop angle:55.9°
G-rich loop distance:16.8Å
G-rich loop rotation:56.8°
2D & 3D views

The orthosteric binding pocket
Binding pocket waters
No waters were found in the defined clusters
Binding pocket sequence
UniprotEKIGKGSFGEVFKVAIKIIDIQQEITVLSQCDPYVTKYYGSWIIMEYLGGGSALDLLEPYLHSEKKIHRDIKAANVLLLADFGVA
Structure:EKIGKGSFGEVFKVAIKIIDIQQEITVLSQCDPYVTKYYGSWIIMEYLGGGSALDLLEPYLHSEKKIHRDIKAANVLLLADFGVA


Modified residues
No modified residues identified.
Orthosteric ligand
2D structure of the orthosteric ligand
Ligand HET-code: ADP
Ligand Name: ADENOSINE-5'-DIPHOSPHATE

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

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Binding affinities
ChEMBL ID:CHEMBL14830
Bioaffinities: 2 records for 1 kinase(s)

Species Kinase (ChEMBL naming) Median Min Max Type Records
Homo sapiensMitogen-activated protein kinase kinase kinase 74.24.25.4pKd2