SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '42A'


List of Similar Pattern of Amino Acids


Hit pattern: 3D amino acid arrangements similar to known drug binding site

Query pattern: Residues from known binding site for annotated drug that match the hit pattern


(Click on the DrReposER ID to view details on interfaces and similar patterns of amino acids)
(Click on the view link on the last column to view superposed patterns of amino acids)
Filter list by:
DrReposER ID / Desc. Hit
PDBID
Hit
Macromolecule
Res.
Matches
Interface HETATM RMSD Dali
Z-score
Seq.
Identity (%)
View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1UWH_A_BAXA1723_2
(B-RAF PROTO-ONCOGENE
SERINE/THREONINE-PRO
TEIN KINASE)
4xrl MITOGEN-ACTIVATED
PROTEIN KINASE 1

(Rattus
norvegicus)
4 / 6 ILE A  29
VAL A  37
ILE A  81
ASP A 165
42A  A 402 ( 4.7A)
None
None
None
0.62A 1uwhA-4xrlA:
22.3
1uwhA-4xrlA:
27.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1UWJ_A_BAXA1723_2
(B-RAF PROTO-ONCOGENE
SERINE/THREONINE-PRO
TEIN KINASE)
4xrl MITOGEN-ACTIVATED
PROTEIN KINASE 1

(Rattus
norvegicus)
4 / 7 ILE A  29
LEU A  73
ILE A  81
ASP A 165
42A  A 402 ( 4.7A)
None
None
None
0.85A 1uwjA-4xrlA:
21.9
1uwjA-4xrlA:
27.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Y7J_A_B49A1294_1
(PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM)
4xrl MITOGEN-ACTIVATED
PROTEIN KINASE 1

(Rattus
norvegicus)
7 / 12 ILE A  29
VAL A  37
ALA A  50
ILE A  82
LEU A 105
MET A 106
LEU A 154
42A  A 402 ( 4.7A)
None
42A  A 402 (-3.2A)
None
42A  A 402 ( 4.9A)
None
42A  A 402 ( 4.9A)
0.61A 2y7jA-4xrlA:
28.1
2y7jA-4xrlA:
24.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Y7J_B_B49B1294_1
(PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM)
4xrl MITOGEN-ACTIVATED
PROTEIN KINASE 1

(Rattus
norvegicus)
7 / 10 ILE A  29
VAL A  37
ALA A  50
ILE A  82
LEU A 105
MET A 106
LEU A 154
42A  A 402 ( 4.7A)
None
42A  A 402 (-3.2A)
None
42A  A 402 ( 4.9A)
None
42A  A 402 ( 4.9A)
0.58A 2y7jB-4xrlA:
28.1
2y7jB-4xrlA:
24.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Y7J_C_B49C1294_1
(PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM)
4xrl MITOGEN-ACTIVATED
PROTEIN KINASE 1

(Rattus
norvegicus)
7 / 10 ILE A  29
VAL A  37
ALA A  50
ILE A  82
LEU A 105
MET A 106
LEU A 154
42A  A 402 ( 4.7A)
None
42A  A 402 (-3.2A)
None
42A  A 402 ( 4.9A)
None
42A  A 402 ( 4.9A)
0.61A 2y7jC-4xrlA:
28.1
2y7jC-4xrlA:
24.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Y7J_D_B49D1294_1
(PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM)
4xrl MITOGEN-ACTIVATED
PROTEIN KINASE 1

(Rattus
norvegicus)
7 / 10 ILE A  29
VAL A  37
ALA A  50
ILE A  82
LEU A 105
MET A 106
LEU A 154
42A  A 402 ( 4.7A)
None
42A  A 402 (-3.2A)
None
42A  A 402 ( 4.9A)
None
42A  A 402 ( 4.9A)
0.56A 2y7jD-4xrlA:
28.1
2y7jD-4xrlA:
24.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3GCS_A_BAXA401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE 14)
4xrl MITOGEN-ACTIVATED
PROTEIN KINASE 1

(Rattus
norvegicus)
6 / 12 VAL A  37
ALA A  50
GLU A  69
LEU A  73
ILE A  82
ILE A 138
None
42A  A 402 (-3.2A)
None
None
None
None
1.08A 3gcsA-4xrlA:
35.6
3gcsA-4xrlA:
46.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3GCS_A_BAXA401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE 14)
4xrl MITOGEN-ACTIVATED
PROTEIN KINASE 1

(Rattus
norvegicus)
5 / 12 VAL A  37
ALA A  50
ILE A  82
ILE A 138
HIS A 145
None
42A  A 402 (-3.2A)
None
None
None
0.88A 3gcsA-4xrlA:
35.6
3gcsA-4xrlA:
46.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3HEG_A_BAXA1_1
(MITOGEN-ACTIVATED
PROTEIN KINASE 14)
4xrl MITOGEN-ACTIVATED
PROTEIN KINASE 1

(Rattus
norvegicus)
7 / 12 VAL A  37
ALA A  50
LYS A  52
GLU A  69
LEU A  73
ILE A  82
ILE A 138
None
42A  A 402 (-3.2A)
42A  A 402 (-4.1A)
None
None
None
None
1.16A 3hegA-4xrlA:
36.9
3hegA-4xrlA:
48.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3LFA_A_1N1A361_1
(MITOGEN-ACTIVATED
PROTEIN KINASE 14)
4xrl MITOGEN-ACTIVATED
PROTEIN KINASE 1

(Rattus
norvegicus)
5 / 8 ALA A  50
LYS A  52
GLU A  69
LEU A 105
MET A 106
42A  A 402 (-3.2A)
42A  A 402 (-4.1A)
None
42A  A 402 ( 4.9A)
None
0.89A 3lfaA-4xrlA:
36.4
3lfaA-4xrlA:
46.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MIY_B_B49B2_1
(TYROSINE-PROTEIN
KINASE ITK/TSK)
4xrl MITOGEN-ACTIVATED
PROTEIN KINASE 1

(Rattus
norvegicus)
5 / 9 ILE A  29
ALA A  50
LYS A  52
MET A 106
LEU A 154
42A  A 402 ( 4.7A)
42A  A 402 (-3.2A)
42A  A 402 (-4.1A)
None
42A  A 402 ( 4.9A)
0.58A 3miyB-4xrlA:
17.2
3miyB-4xrlA:
26.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ASD_A_BAXA1500_2
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)
4xrl MITOGEN-ACTIVATED
PROTEIN KINASE 1

(Rattus
norvegicus)
4 / 6 ILE A  72
LEU A 154
ILE A 163
CYH A 164
None
42A  A 402 ( 4.9A)
None
None
0.87A 4asdA-4xrlA:
20.9
4asdA-4xrlA:
25.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4C8B_A_0LIA1000_1
(RECEPTOR-INTERACTING
SERINE/THREONINE-PRO
TEIN KINASE 2)
4xrl MITOGEN-ACTIVATED
PROTEIN KINASE 1

(Rattus
norvegicus)
7 / 12 ALA A  50
LYS A  52
LEU A  73
ILE A 101
HIS A 145
LEU A 154
ASP A 165
42A  A 402 (-3.2A)
42A  A 402 (-4.1A)
None
None
None
42A  A 402 ( 4.9A)
None
0.96A 4c8bA-4xrlA:
22.1
4c8bA-4xrlA:
27.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4I41_A_MIXA500_1
(SERINE/THREONINE-PRO
TEIN KINASE PIM-1)
4xrl MITOGEN-ACTIVATED
PROTEIN KINASE 1

(Rattus
norvegicus)
8 / 12 VAL A  37
ALA A  50
ILE A  82
ASP A 109
ASP A 147
LYS A 149
ASN A 152
LEU A 154
None
42A  A 402 (-3.2A)
None
None
None
None
None
42A  A 402 ( 4.9A)
1.05A 4i41A-4xrlA:
25.1
4i41A-4xrlA:
25.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4OGR_E_ADNE401_1
(CYCLIN-DEPENDENT
KINASE 9)
4xrl MITOGEN-ACTIVATED
PROTEIN KINASE 1

(Rattus
norvegicus)
4 / 7 ASP A 109
ASN A 152
LEU A 154
ASP A 165
None
None
42A  A 402 ( 4.9A)
None
0.33A 4ogrE-4xrlA:
30.8
4ogrE-4xrlA:
33.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QMN_A_DB8A401_1
(SERINE/THREONINE-PRO
TEIN KINASE 24)
4xrl MITOGEN-ACTIVATED
PROTEIN KINASE 1

(Rattus
norvegicus)
6 / 12 ILE A  29
ALA A  50
GLU A  69
ILE A 101
LEU A 154
ASP A 165
42A  A 402 ( 4.7A)
42A  A 402 (-3.2A)
None
None
42A  A 402 ( 4.9A)
None
0.81A 4qmnA-4xrlA:
26.7
4qmnA-4xrlA:
27.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RZ7_A_1E8A901_1
(CGMP-DEPENDENT
PROTEIN KINASE,
PUTATIVE)
4xrl MITOGEN-ACTIVATED
PROTEIN KINASE 1

(Rattus
norvegicus)
5 / 10 ILE A  29
ALA A  50
ILE A  82
LEU A 105
LEU A 154
42A  A 402 ( 4.7A)
42A  A 402 (-3.2A)
None
42A  A 402 ( 4.9A)
42A  A 402 ( 4.9A)
0.75A 4rz7A-4xrlA:
8.3
4rz7A-4xrlA:
16.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4U0I_A_0LIA1001_2
(MAST/STEM CELL
GROWTH FACTOR
RECEPTOR
KIT,MAST/STEM CELL
GROWTH FACTOR
RECEPTOR KIT)
4xrl MITOGEN-ACTIVATED
PROTEIN KINASE 1

(Rattus
norvegicus)
7 / 12 ALA A  50
LYS A  52
LEU A  73
HIS A 145
LEU A 154
CYH A 164
ASP A 165
42A  A 402 (-3.2A)
42A  A 402 (-4.1A)
None
None
42A  A 402 ( 4.9A)
None
None
0.99A 4u0iA-4xrlA:
21.3
4u0iA-4xrlA:
25.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4XOY_A_DX4A401_0
(MITOGEN-ACTIVATED
PROTEIN KINASE 1)
4xrl MITOGEN-ACTIVATED
PROTEIN KINASE 1

(Rattus
norvegicus)
5 / 6 ALA A  50
GLN A 103
LEU A 105
MET A 106
LEU A 154
42A  A 402 (-3.2A)
42A  A 402 (-3.9A)
42A  A 402 ( 4.9A)
None
42A  A 402 ( 4.9A)
0.19A 4xoyA-4xrlA:
49.7
4xoyA-4xrlA:
99.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4XP3_A_DX4A401_0
(MITOGEN-ACTIVATED
PROTEIN KINASE 1)
4xrl MITOGEN-ACTIVATED
PROTEIN KINASE 1

(Rattus
norvegicus)
5 / 6 ALA A  50
GLN A 103
LEU A 105
MET A 106
LEU A 154
42A  A 402 (-3.2A)
42A  A 402 (-3.9A)
42A  A 402 ( 4.9A)
None
42A  A 402 ( 4.9A)
0.24A 4xp3A-4xrlA:
51.8
4xp3A-4xrlA:
99.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5LW1_B_ADNB401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE 8)
4xrl MITOGEN-ACTIVATED
PROTEIN KINASE 1

(Rattus
norvegicus)
5 / 9 ILE A  29
GLY A  30
VAL A  37
ALA A  50
MET A 106
42A  A 402 ( 4.7A)
None
None
42A  A 402 (-3.2A)
None
0.73A 5lw1B-4xrlA:
36.9
5lw1B-4xrlA:
10.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5LW1_B_ADNB401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE 8)
4xrl MITOGEN-ACTIVATED
PROTEIN KINASE 1

(Rattus
norvegicus)
5 / 9 ILE A  29
VAL A  37
ALA A  50
ILE A  82
MET A 106
42A  A 402 ( 4.7A)
None
42A  A 402 (-3.2A)
None
None
0.69A 5lw1B-4xrlA:
36.9
5lw1B-4xrlA:
10.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5LW1_E_ADNE401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE 8)
4xrl MITOGEN-ACTIVATED
PROTEIN KINASE 1

(Rattus
norvegicus)
5 / 10 GLY A  30
VAL A  37
ALA A  50
LEU A 105
MET A 106
None
None
42A  A 402 (-3.2A)
42A  A 402 ( 4.9A)
None
0.67A 5lw1E-4xrlA:
36.4
5lw1E-4xrlA:
10.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5LW1_E_ADNE401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE 8)
4xrl MITOGEN-ACTIVATED
PROTEIN KINASE 1

(Rattus
norvegicus)
5 / 10 VAL A  37
ALA A  50
ILE A  82
LEU A 105
MET A 106
None
42A  A 402 (-3.2A)
None
42A  A 402 ( 4.9A)
None
0.64A 5lw1E-4xrlA:
36.4
5lw1E-4xrlA:
10.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5LW1_H_ADNH401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE 8)
4xrl MITOGEN-ACTIVATED
PROTEIN KINASE 1

(Rattus
norvegicus)
5 / 9 GLY A  30
VAL A  37
ALA A  50
LEU A 105
MET A 106
None
None
42A  A 402 (-3.2A)
42A  A 402 ( 4.9A)
None
0.58A 5lw1H-4xrlA:
37.2
5lw1H-4xrlA:
10.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6FNM_A_1N1A1001_1
(-)
4xrl MITOGEN-ACTIVATED
PROTEIN KINASE 1

(Rattus
norvegicus)
8 / 12 ILE A  29
VAL A  37
ALA A  50
LYS A  52
GLU A  69
ILE A 101
MET A 106
LEU A 154
42A  A 402 ( 4.7A)
None
42A  A 402 (-3.2A)
42A  A 402 (-4.1A)
None
None
None
42A  A 402 ( 4.9A)
0.76A 6fnmA-4xrlA:
23.5
6fnmA-4xrlA:
27.40