Mitogen-activated protein kinase 1
Kinase structure
Kinase:MAPK1 (Erk2)
Family:MAPK
Group:CMGC
Species:HUMAN
IUPHAR/BPS ID:1495
PDB:1PME
sc-PDB:
KIDFamMap:Search
Release date:1999-06-08
PubMed: 9827991
Chain:A
Orthosteric ligand:SB2
2D structure of the orthosteric ligand
Click to open a 3D viewer
The orthosteric binding pocket
Structural information
DFG conformation:in
αC-helix conformation:in
G-rich loop angle (distance):-
G-rich loop rotation:-
Quality Score:6.8
Resolution:2 Å
Missing Residues:3
Missing Atoms:0
Ligand binding mode
PocketsSubpocketsWaters
front
gate
back
BP-I-A
BP-I-B
Cluster
I2
I5
I7
I9
I10
Ligand
No
No
No
Yes
Yes
Protein
Yes
Yes
Yes
No
Yes

Pocket alignment
Uniprot sequence:SYIGEGAYGMVCSVAIKKIRTLREIKILLRFRENIIGINDIYIVQDLME-TDLYKLLKTYIHSANVLHRDLKPSNLLLICDFGLA
Sequence structure:SYIG___YGMVCSVAIKKIRTLREIKILLRFRENIIGINDIYLVTHLMG_ADLYKLLKTYIHSANVLHRDLKPSNLLLICDFGLA

Ligand affinity
ChEMBL ID:CHEMBL10
Bioaffinities: 245 records for 62 kinases
Species Kinase (ChEMBL naming) Median Min Max Type Records
Homo sapiensActivin receptor type-1B5.55.55.5pKd2
Homo sapiensBone morphogenetic protein receptor type-1B5.55.55.5pKd1
Plasmodium falciparum (isolate 3D7)Calcium-dependent protein kinase 16.16.16.1pKd1
Homo sapiensCasein kinase I alpha7.17.17.1pKd1
Homo sapiensCasein kinase I alpha6.56.56.5pKi1
Homo sapiensCasein kinase I delta6.96.96.9pIC502
Homo sapiensCasein kinase I delta7.47.47.4pKd2
Homo sapiensCasein kinase I delta7.47.47.4pKi1
Homo sapiensCasein kinase I epsilon76.77pKd3
Homo sapiensCasein kinase I isoform alpha-like5.85.85.8pKd2
Homo sapiensCitron Rho-interacting kinase6.46.46.4pKd2
Homo sapiensc-Jun N-terminal kinase 165.96pKd3
Homo sapiensc-Jun N-terminal kinase 15.95.95.9pKi1
Homo sapiensc-Jun N-terminal kinase 25.756.6pIC506
Homo sapiensc-Jun N-terminal kinase 26.96.97pKd3
Homo sapiensc-Jun N-terminal kinase 26.76.76.7pKi1
Homo sapiensc-Jun N-terminal kinase 36.16.16.5pIC502
Homo sapiensc-Jun N-terminal kinase 37.57.47.5pKd3
Homo sapiensc-Jun N-terminal kinase 37.17.17.6pKi2
Homo sapiensDiscoidin domain-containing receptor 25.35.35.3pKd2
Homo sapiensDual specificity mitogen-activated protein kinase kinase 2555pKd2
Homo sapiensDual specificity mitogen-activated protein kinase kinase 55.95.95.9pKd1
Homo sapiensDual specificity protein kinase TTK5.65.65.6pKd2
Homo sapiensEphrin type-A receptor 65.95.95.9pKd2
Homo sapiensEphrin type-B receptor 25.15.15.1pIC501
Homo sapiensEphrin type-B receptor 25.25.25.2pKd1
Homo sapiensEpidermal growth factor receptor erbB1444pIC501
Homo sapiensEpidermal growth factor receptor erbB15.85.56.5pKd23
Homo sapiensEpithelial discoidin domain-containing receptor 1666pKd2
Homo sapiensGlycogen synthase kinase-3 beta5.85.85.8pKd2
Homo sapiensGlycogen synthase kinase-3 beta5.85.85.8pKi1
Homo sapiensHepatocyte growth factor receptor5.15.15.1pKd1
Homo sapiensMAP kinase p38 alpha7.35.28pIC5047
Homo sapiensMAP kinase p38 alpha7.97.78.4pKd5
Homo sapiensMAP kinase p38 alpha7.77.27.8pKi3
Mus musculusMAP kinase p38 alpha7.77.77.7pKd1
Homo sapiensMAP kinase p38 beta6.46.37.9pIC504
Homo sapiensMAP kinase p38 beta7.26.67.2pKd3
Homo sapiensMAP kinase p38 gamma5.85.85.8pKd3
Homo sapiensMisshapen-like kinase 15.65.65.6pKi1
Toxoplasma gondiiMitogen-activated protein kinase 1777pIC502
Homo sapiensMitogen-activated protein kinase kinase kinase kinase 45.45.45.4pKd2
Homo sapiensMitogen-activated protein kinase kinase kinase kinase 46.46.46.4pKi1
Homo sapiensMixed lineage kinase 75.45.45.4pKd2
Homo sapiensReceptor protein-tyrosine kinase erbB-24.74.74.7pIC501
Homo sapiensReceptor protein-tyrosine kinase erbB-45.35.35.3pKd1
Homo sapiensRibosomal protein S6 kinase alpha 16.56.56.5pKd4
Homo sapiensRibosomal protein S6 kinase alpha 66.66.66.6pKd4
Homo sapiensSerine/threonine-protein kinase 25.45.35.4pKd3
Homo sapiensSerine/threonine-protein kinase 25.75.75.7pKi1
Homo sapiensSerine/threonine-protein kinase 32A5.95.95.9pKd1
Homo sapiensSerine/threonine-protein kinase 32B5.75.75.7pKd2
Homo sapiensSerine/threonine-protein kinase 365.95.96.1pKd3
Homo sapiensSerine/threonine-protein kinase B-raf6.26.26.3pKd4
Homo sapiensSerine/threonine-protein kinase D25.25.25.2pKi1
Homo sapiensSerine/threonine-protein kinase GAK6.96.97pIC502
Homo sapiensSerine/threonine-protein kinase GAK7.77.47.7pKd3
Homo sapiensSerine/threonine-protein kinase MRCK-A5.25.25.2pKd2
Homo sapiensSerine/threonine-protein kinase MRCK beta5.65.65.6pKd2
Homo sapiensSerine/threonine-protein kinase MRCK gamma6.46.46.4pKd2
Homo sapiensSerine/threonine protein kinase NLK7.67.67.6pKd2
Homo sapiensSerine/threonine-protein kinase RAF6.45.76.5pIC504
Homo sapiensSerine/threonine-protein kinase RAF666pKd2
Homo sapiensSerine/threonine-protein kinase RIPK26.65.28pIC507
Homo sapiensSerine/threonine-protein kinase RIPK27.65.77.6pKd3
Homo sapiensSerine/threonine-protein kinase SIK2666pKi1
Homo sapiensSerine/threonine-protein kinase SIK35.45.45.4pKd1
Homo sapiensSerine/threonine-protein kinase TNNI3K5.55.55.5pKd2
Homo sapiensTGF-beta receptor type I4.54.55.2pIC502
Homo sapiensTGF-beta receptor type I5.25.25.2pKd2
Homo sapiensTGF-beta receptor type II5.85.85.8pKd2
Homo sapiensTRAF2- and NCK-interacting kinase6.15.86.1pKd3
Homo sapiensTyrosine-protein kinase ABL5.45.45.6pKd2
Homo sapiensTyrosine-protein kinase BRK5.45.15.4pKd3
Homo sapiensTyrosine-protein kinase FRK5.85.45.8pKd3
Homo sapiensTyrosine-protein kinase FRK6.66.66.6pKi1
Homo sapiensTyrosine-protein kinase LCK5.55.55.5pIC501
Homo sapiensTyrosine-protein kinase LCK5.65.65.6pKd2
Homo sapiensTyrosine-protein kinase LCK5.35.35.3pKi1
Homo sapiensTyrosine-protein kinase SRC5.35.35.3pIC501
Homo sapiensTyrosine-protein kinase SRC5.35.35.3pKd2
Homo sapiensTyrosine-protein kinase TIE-24.74.74.7pIC501
Homo sapiensTyrosine-protein kinase TXK5.45.45.4pKd2
Homo sapiensTyrosine-protein kinase TYK25.75.75.7pKd2
Homo sapiensUncharacterized aarF domain-containing protein kinase 45.55.55.5pKd2
Homo sapiensVascular endothelial growth factor receptor 35.25.25.2pKi1


Kinase-ligand interaction pattern
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 S
29
2 Y
30
3 I
31
4 G
32
5 _
_
6 _
_
7 _
_
8 Y
36
9 G
37
10 M
38
11 V
39
12 C
40
13 S
41
14 V
51
15 A
52
16 I
53
17 K
54
18 K
55
19 I
56
20 R
67
αC b.l IV
21 T
68
22 L
69
23 R
70
24 E
71
25 I
72
26 K
73
27 I
74
28 L
75
29 L
76
30 R
77
31 F
78
32 R
79
33 E
81
34 N
82
35 I
83
36 I
84
37 G
85
38 I
86
39 N
87
40 D
88
IV V GK hinge linker αD αE
41 I
89
42 Y
102
43 L
103
44 V
104
45 T
105
46 H
106
47 L
107
48 M
108
49 G
109
50 _
_
51 A
110
52 D
111
53 L
112
54 Y
113
55 K
114
56 L
115
57 L
116
58 K
117
59 T
118
60 Y
139
αE VI c.l VII VIII x
61 I
140
62 H
141
63 S
142
64 A
143
65 N
144
66 V
145
67 L
146
68 H
147
69 R
148
70 D
149
71 L
150
72 K
151
73 P
152
74 S
153
75 N
154
76 L
155
77 L
156
78 L
157
79 I
165
80 C
166
DFG a.l
81 D
167
82 F
168
83 G
169
84 L
170
85 A
171

Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
Specify the minimum similarity (0.00 no similarity, 1.00 identical)