SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4qtb'

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.
1Q13_A_TESA501_1
(PROSTAGLANDIN-E2
9-REDUCTASE)
4qtb MITOGEN-ACTIVATED
PROTEIN KINASE 3

(Homo
sapiens)
4 / 6 TYR A 148
TYR A 145
GLU A 339
PRO A 336
None
EDO  A 407 (-3.8A)
None
None
1.35A 1q13A-4qtbA:
undetectable
1q13A-4qtbA:
22.11
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.
1T03_P_TFOP822_1
(POL POLYPROTEIN
SYNTHETIC
OLIGONUCLEOTIDE
PRIMER)
4qtb MITOGEN-ACTIVATED
PROTEIN KINASE 3

(Homo
sapiens)
4 / 7 ASP A 335
ASP A 338
LYS A 155
HIS A  97
None
1.43A 1t03A-4qtbA:
undetectable
1t03A-4qtbA:
20.93
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.
1TDN_A_LEUA487_0
(L-AMINO ACID OXIDASE)
4qtb MITOGEN-ACTIVATED
PROTEIN KINASE 3

(Homo
sapiens)
4 / 7 ASN A 171
HIS A 164
PHE A 185
ILE A 150
None
1.33A 1tdnA-4qtbA:
undetectable
1tdnA-4qtbA:
22.54
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.
1XWF_A_ADNA433_2
(ADENOSYLHOMOCYSTEINA
SE)
4qtb MITOGEN-ACTIVATED
PROTEIN KINASE 3

(Homo
sapiens)
3 / 3 THR A 347
GLU A 351
HIS A 195
EDO  A 406 (-3.7A)
None
None
0.64A 1xwfA-4qtbA:
undetectable
1xwfA-4qtbA:
20.99
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.
1XWF_B_ADNB433_2
(ADENOSYLHOMOCYSTEINA
SE)
4qtb MITOGEN-ACTIVATED
PROTEIN KINASE 3

(Homo
sapiens)
3 / 3 THR A 347
GLU A 351
HIS A 195
EDO  A 406 (-3.7A)
None
None
0.68A 1xwfB-4qtbA:
undetectable
1xwfB-4qtbA:
20.99
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.
1XWF_C_ADNC433_2
(ADENOSYLHOMOCYSTEINA
SE)
4qtb MITOGEN-ACTIVATED
PROTEIN KINASE 3

(Homo
sapiens)
3 / 3 THR A 347
GLU A 351
HIS A 195
EDO  A 406 (-3.7A)
None
None
0.68A 1xwfC-4qtbA:
undetectable
1xwfC-4qtbA:
20.99
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.
1XWF_D_ADND433_2
(ADENOSYLHOMOCYSTEINA
SE)
4qtb MITOGEN-ACTIVATED
PROTEIN KINASE 3

(Homo
sapiens)
3 / 3 THR A 347
GLU A 351
HIS A 195
EDO  A 406 (-3.7A)
None
None
0.64A 1xwfD-4qtbA:
undetectable
1xwfD-4qtbA:
20.99
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.
2HYY_D_STID600_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)
4qtb MITOGEN-ACTIVATED
PROTEIN KINASE 3

(Homo
sapiens)
6 / 12 VAL A  56
ALA A  69
ILE A  91
ILE A 120
LEU A 173
ASP A 184
None
38Z  A 418 (-3.4A)
None
None
38Z  A 418 (-4.4A)
38Z  A 418 (-3.5A)
1.04A 2hyyD-4qtbA:
21.6
2hyyD-4qtbA:
22.63
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.
2Q6F_C_010C6_0
(INFECTIOUS
BRONCHITIS VIRUS
(IBV) MAIN PROTEASE
N-[(5-METHYLISOXAZOL
-3-YL)CARBONYL]ALANY
L-L-VALYL-N~1~-((1R,
2Z)-4-(BENZYLOXY)-4-
OXO-1-{[(3R)-2-OXOPY
RROLIDIN-3-YL]METHYL
}BUT-2-ENYL)-L-LEUCI
NAMIDE)
4qtb MITOGEN-ACTIVATED
PROTEIN KINASE 3

(Homo
sapiens)
3 / 3 ASN A 161
LEU A 163
HIS A 158
None
0.78A 2q6fB-4qtbA:
undetectable
2q6fB-4qtbA:
21.57
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_A_B49A1294_1
(PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM)
4qtb MITOGEN-ACTIVATED
PROTEIN KINASE 3

(Homo
sapiens)
7 / 12 ILE A  48
VAL A  56
ALA A  69
ILE A 101
LEU A 124
MET A 125
LEU A 173
38Z  A 418 ( 4.4A)
None
38Z  A 418 (-3.4A)
38Z  A 418 ( 4.9A)
38Z  A 418 ( 4.8A)
None
38Z  A 418 (-4.4A)
0.44A 2y7jA-4qtbA:
27.9
2y7jA-4qtbA:
27.85
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)
4qtb MITOGEN-ACTIVATED
PROTEIN KINASE 3

(Homo
sapiens)
7 / 10 ILE A  48
VAL A  56
ALA A  69
ILE A 101
LEU A 124
MET A 125
LEU A 173
38Z  A 418 ( 4.4A)
None
38Z  A 418 (-3.4A)
38Z  A 418 ( 4.9A)
38Z  A 418 ( 4.8A)
None
38Z  A 418 (-4.4A)
0.46A 2y7jB-4qtbA:
21.1
2y7jB-4qtbA:
27.85
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)
4qtb MITOGEN-ACTIVATED
PROTEIN KINASE 3

(Homo
sapiens)
7 / 10 ILE A  48
VAL A  56
ALA A  69
ILE A 101
LEU A 124
MET A 125
LEU A 173
38Z  A 418 ( 4.4A)
None
38Z  A 418 (-3.4A)
38Z  A 418 ( 4.9A)
38Z  A 418 ( 4.8A)
None
38Z  A 418 (-4.4A)
0.45A 2y7jC-4qtbA:
27.9
2y7jC-4qtbA:
27.85
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)
4qtb MITOGEN-ACTIVATED
PROTEIN KINASE 3

(Homo
sapiens)
7 / 10 ILE A  48
VAL A  56
ALA A  69
ILE A 101
LEU A 124
MET A 125
LEU A 173
38Z  A 418 ( 4.4A)
None
38Z  A 418 (-3.4A)
38Z  A 418 ( 4.9A)
38Z  A 418 ( 4.8A)
None
38Z  A 418 (-4.4A)
0.47A 2y7jD-4qtbA:
27.8
2y7jD-4qtbA:
27.85
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.
3A50_B_VD3B2001_1
(VITAMIN D
HYDROXYLASE)
4qtb MITOGEN-ACTIVATED
PROTEIN KINASE 3

(Homo
sapiens)
5 / 11 ILE A 143
LEU A 172
ASN A  99
LEU A 235
ILE A 234
None
None
EDO  A 402 (-3.1A)
None
None
1.33A 3a50B-4qtbA:
undetectable
3a50B-4qtbA:
20.05
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)
4qtb MITOGEN-ACTIVATED
PROTEIN KINASE 3

(Homo
sapiens)
5 / 12 VAL A  56
ALA A  69
GLU A  88
LEU A  92
ILE A 101
None
38Z  A 418 (-3.4A)
38Z  A 418 (-3.4A)
None
38Z  A 418 ( 4.9A)
1.01A 3gcsA-4qtbA:
28.1
3gcsA-4qtbA:
47.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3GP0_A_NILA1_1
(MITOGEN-ACTIVATED
PROTEIN KINASE 11)
4qtb MITOGEN-ACTIVATED
PROTEIN KINASE 3

(Homo
sapiens)
6 / 12 VAL A  56
ALA A  69
GLU A  88
LEU A  92
ILE A 101
ASP A 184
None
38Z  A 418 (-3.4A)
38Z  A 418 (-3.4A)
None
38Z  A 418 ( 4.9A)
38Z  A 418 (-3.5A)
1.18A 3gp0A-4qtbA:
37.4
3gp0A-4qtbA:
45.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3GP0_A_NILA1_1
(MITOGEN-ACTIVATED
PROTEIN KINASE 11)
4qtb MITOGEN-ACTIVATED
PROTEIN KINASE 3

(Homo
sapiens)
6 / 12 VAL A  56
ALA A  69
LEU A  92
ILE A 101
HIS A 164
ASP A 184
None
38Z  A 418 (-3.4A)
None
38Z  A 418 ( 4.9A)
None
38Z  A 418 (-3.5A)
1.07A 3gp0A-4qtbA:
37.4
3gp0A-4qtbA:
45.74
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)
4qtb MITOGEN-ACTIVATED
PROTEIN KINASE 3

(Homo
sapiens)
6 / 12 VAL A  56
ALA A  69
LYS A  71
GLU A  88
ILE A 101
ILE A 157
None
38Z  A 418 (-3.4A)
38Z  A 418 (-2.9A)
38Z  A 418 (-3.4A)
38Z  A 418 ( 4.9A)
None
1.17A 3hegA-4qtbA:
37.3
3hegA-4qtbA:
47.41
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)
4qtb MITOGEN-ACTIVATED
PROTEIN KINASE 3

(Homo
sapiens)
6 / 12 VAL A  56
ALA A  69
LYS A  71
GLU A  88
LEU A  92
ILE A 101
None
38Z  A 418 (-3.4A)
38Z  A 418 (-2.9A)
38Z  A 418 (-3.4A)
None
38Z  A 418 ( 4.9A)
1.12A 3hegA-4qtbA:
37.3
3hegA-4qtbA:
47.41
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.
3LN1_C_CELC682_2
(PROSTAGLANDIN G/H
SYNTHASE 2)
4qtb MITOGEN-ACTIVATED
PROTEIN KINASE 3

(Homo
sapiens)
4 / 7 SER A 230
LEU A 258
ILE A 244
PHE A 245
None
EDO  A 408 ( 4.0A)
None
None
0.99A 3ln1C-4qtbA:
undetectable
3ln1C-4qtbA:
19.79
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.
3O1X_A_ADNA1450_1
(HISTIDINE TRIAD
NUCLEOTIDE-BINDING
PROTEIN 1)
4qtb MITOGEN-ACTIVATED
PROTEIN KINASE 3

(Homo
sapiens)
5 / 10 ILE A 174
PHE A 146
SER A 135
LEU A 138
HIS A 142
None
None
None
None
EDO  A 407 ( 4.2A)
1.11A 3o1xA-4qtbA:
undetectable
3o1xA-4qtbA:
15.24
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.
3PGL_A_RZXA257_1
(CARBOXY-TERMINAL
DOMAIN RNA
POLYMERASE II
POLYPEPTIDE A SMALL
PHOSPHATASE 1)
4qtb MITOGEN-ACTIVATED
PROTEIN KINASE 3

(Homo
sapiens)
5 / 7 PHE A 185
VAL A 100
ILE A 182
SER A 159
TYR A 156
None
1.42A 3pglA-4qtbA:
undetectable
3pglA-4qtbA:
20.06
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.
3QGZ_A_ADNA127_1
(HISTIDINE TRIAD
NUCLEOTIDE-BINDING
PROTEIN 1)
4qtb MITOGEN-ACTIVATED
PROTEIN KINASE 3

(Homo
sapiens)
5 / 10 ILE A 174
PHE A 146
SER A 135
LEU A 138
HIS A 142
None
None
None
None
EDO  A 407 ( 4.2A)
1.11A 3qgzA-4qtbA:
2.3
3qgzA-4qtbA:
14.89
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.
3QL0_A_FOLA160_0
(DIHYDROFOLATE
REDUCTASE)
4qtb MITOGEN-ACTIVATED
PROTEIN KINASE 3

(Homo
sapiens)
5 / 12 ALA A 324
MET A 310
LEU A 154
ILE A 234
LEU A 172
None
1.14A 3ql0A-4qtbA:
undetectable
3ql0A-4qtbA:
18.11
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.
3TWP_B_SALB404_1
(ANTHRANILATE
PHOSPHORIBOSYLTRANSF
ERASE)
4qtb MITOGEN-ACTIVATED
PROTEIN KINASE 3

(Homo
sapiens)
4 / 7 ALA A 212
TYR A 204
ARG A 208
ALA A 206
None
None
SO4  A 417 (-3.9A)
None
1.07A 3twpB-4qtbA:
undetectable
3twpB-4qtbA:
21.55
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.
3TWP_C_SALC404_1
(ANTHRANILATE
PHOSPHORIBOSYLTRANSF
ERASE)
4qtb MITOGEN-ACTIVATED
PROTEIN KINASE 3

(Homo
sapiens)
4 / 7 ALA A 212
TYR A 204
ARG A 208
ALA A 206
None
None
SO4  A 417 (-3.9A)
None
1.08A 3twpC-4qtbA:
undetectable
3twpC-4qtbA:
21.55
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.
3UFN_A_ROCA401_2
(HIV-1 PROTEASE)
4qtb MITOGEN-ACTIVATED
PROTEIN KINASE 3

(Homo
sapiens)
4 / 7 ASP A 105
GLY A  39
VAL A  68
VAL A 121
None
0.60A 3ufnB-4qtbA:
undetectable
3ufnB-4qtbA:
13.66
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.
3V5W_A_8PRA701_1
(G-PROTEIN COUPLED
RECEPTOR KINASE 2)
4qtb MITOGEN-ACTIVATED
PROTEIN KINASE 3

(Homo
sapiens)
6 / 12 ILE A  48
GLY A  54
VAL A  56
ALA A  69
LYS A  71
LEU A 173
38Z  A 418 ( 4.4A)
None
None
38Z  A 418 (-3.4A)
38Z  A 418 (-2.9A)
38Z  A 418 (-4.4A)
0.86A 3v5wA-4qtbA:
8.7
3v5wA-4qtbA:
22.16
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.
3WZE_A_BAXA1201_2
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)
4qtb MITOGEN-ACTIVATED
PROTEIN KINASE 3

(Homo
sapiens)
5 / 8 VAL A 100
LEU A 173
ILE A 182
CYH A 183
ASP A 184
None
38Z  A 418 (-4.4A)
None
38Z  A 418 ( 3.8A)
38Z  A 418 (-3.5A)
0.62A 3wzeA-4qtbA:
21.5
3wzeA-4qtbA:
26.65
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.
3ZBF_A_VGHA3000_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ROS)
4qtb MITOGEN-ACTIVATED
PROTEIN KINASE 3

(Homo
sapiens)
5 / 12 ALA A  69
LEU A 124
MET A 125
ASP A 128
LEU A 173
38Z  A 418 (-3.4A)
38Z  A 418 ( 4.8A)
None
EDO  A 413 (-2.9A)
38Z  A 418 (-4.4A)
0.55A 3zbfA-4qtbA:
23.3
3zbfA-4qtbA:
25.19
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.
4A6E_A_SAMA1349_1
(HYDROXYINDOLE
O-METHYLTRANSFERASE)
4qtb MITOGEN-ACTIVATED
PROTEIN KINASE 3

(Homo
sapiens)
3 / 3 TYR A 333
ASP A 141
ASP A 300
None
EDO  A 407 (-4.3A)
None
0.84A 4a6eA-4qtbA:
undetectable
4a6eA-4qtbA:
20.51
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.
4AQL_A_TXCA1452_2
(GUANINE DEAMINASE)
4qtb MITOGEN-ACTIVATED
PROTEIN KINASE 3

(Homo
sapiens)
4 / 5 HIS A 158
LEU A 311
LEU A 235
ASP A 308
None
1.02A 4aqlA-4qtbA:
undetectable
4aqlA-4qtbA:
21.29
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)
4qtb MITOGEN-ACTIVATED
PROTEIN KINASE 3

(Homo
sapiens)
4 / 6 ILE A  91
LEU A 173
ILE A 182
CYH A 183
None
38Z  A 418 (-4.4A)
None
38Z  A 418 ( 3.8A)
0.81A 4asdA-4qtbA:
21.1
4asdA-4qtbA:
26.45
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.
4C8B_A_0LIA1000_1
(RECEPTOR-INTERACTING
SERINE/THREONINE-PRO
TEIN KINASE 2)
4qtb MITOGEN-ACTIVATED
PROTEIN KINASE 3

(Homo
sapiens)
7 / 12 ALA A  69
LYS A  71
LEU A  92
ILE A 120
HIS A 164
LEU A 173
ASP A 184
38Z  A 418 (-3.4A)
38Z  A 418 (-2.9A)
None
None
None
38Z  A 418 (-4.4A)
38Z  A 418 (-3.5A)
1.11A 4c8bA-4qtbA:
22.0
4c8bA-4qtbA:
25.69
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)
4qtb MITOGEN-ACTIVATED
PROTEIN KINASE 3

(Homo
sapiens)
8 / 12 VAL A  56
ALA A  69
ILE A 101
ASP A 128
ASP A 166
LYS A 168
ASN A 171
LEU A 173
None
38Z  A 418 (-3.4A)
38Z  A 418 ( 4.9A)
EDO  A 413 (-2.9A)
None
EDO  A 405 ( 4.3A)
None
38Z  A 418 (-4.4A)
0.81A 4i41A-4qtbA:
25.5
4i41A-4qtbA:
25.74
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)
4qtb MITOGEN-ACTIVATED
PROTEIN KINASE 3

(Homo
sapiens)
8 / 12 VAL A  56
ILE A 101
ASP A 128
ASP A 166
LYS A 168
ASN A 171
LEU A 173
ASP A 184
None
38Z  A 418 ( 4.9A)
EDO  A 413 (-2.9A)
None
EDO  A 405 ( 4.3A)
None
38Z  A 418 (-4.4A)
38Z  A 418 (-3.5A)
0.78A 4i41A-4qtbA:
25.5
4i41A-4qtbA:
25.74
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.
4IMA_D_ADND604_1
(PYRUVATE KINASE)
4qtb MITOGEN-ACTIVATED
PROTEIN KINASE 3

(Homo
sapiens)
3 / 3 ARG A 152
GLU A  98
ASN A  99
EDO  A 402 (-4.2A)
EDO  A 402 (-4.4A)
EDO  A 402 (-3.1A)
0.77A 4imaD-4qtbA:
undetectable
4imaD-4qtbA:
20.22
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.
4IP7_D_ADND604_1
(PYRUVATE KINASE
ISOZYMES L)
4qtb MITOGEN-ACTIVATED
PROTEIN KINASE 3

(Homo
sapiens)
3 / 3 ARG A 152
GLU A  98
ASN A  99
EDO  A 402 (-4.2A)
EDO  A 402 (-4.4A)
EDO  A 402 (-3.1A)
0.74A 4ip7D-4qtbA:
undetectable
4ip7D-4qtbA:
19.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4OGR_A_ADNA401_1
(CYCLIN-DEPENDENT
KINASE 9)
4qtb MITOGEN-ACTIVATED
PROTEIN KINASE 3

(Homo
sapiens)
6 / 8 ILE A  48
VAL A  56
ALA A  69
ASP A 128
ASN A 171
LEU A 173
38Z  A 418 ( 4.4A)
None
38Z  A 418 (-3.4A)
EDO  A 413 (-2.9A)
None
38Z  A 418 (-4.4A)
0.64A 4ogrA-4qtbA:
31.1
4ogrA-4qtbA:
31.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4OGR_I_ADNI401_1
(CYCLIN-DEPENDENT
KINASE 9)
4qtb MITOGEN-ACTIVATED
PROTEIN KINASE 3

(Homo
sapiens)
6 / 9 ILE A  48
VAL A  56
ALA A  69
ASP A 128
ASN A 171
LEU A 173
38Z  A 418 ( 4.4A)
None
38Z  A 418 (-3.4A)
EDO  A 413 (-2.9A)
None
38Z  A 418 (-4.4A)
0.65A 4ogrI-4qtbA:
31.2
4ogrI-4qtbA:
31.90
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)
4qtb MITOGEN-ACTIVATED
PROTEIN KINASE 3

(Homo
sapiens)
7 / 12 ALA A  69
LYS A  71
LEU A  92
HIS A 164
LEU A 173
CYH A 183
ASP A 184
38Z  A 418 (-3.4A)
38Z  A 418 (-2.9A)
None
None
38Z  A 418 (-4.4A)
38Z  A 418 ( 3.8A)
38Z  A 418 (-3.5A)
1.17A 4u0iA-4qtbA:
21.4
4u0iA-4qtbA:
22.73
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.
4WAN_C_ACTC303_0
(BRANCHPOINT-BRIDGING
PROTEIN)
4qtb MITOGEN-ACTIVATED
PROTEIN KINASE 3

(Homo
sapiens)
3 / 3 ASP A 196
ARG A 318
PRO A 315
None
0.65A 4wanC-4qtbA:
undetectable
4wanC-4qtbA:
16.94
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)
4qtb MITOGEN-ACTIVATED
PROTEIN KINASE 3

(Homo
sapiens)
5 / 6 ALA A  69
GLN A 122
LEU A 124
MET A 125
LEU A 173
38Z  A 418 (-3.4A)
38Z  A 418 (-3.7A)
38Z  A 418 ( 4.8A)
None
38Z  A 418 (-4.4A)
0.21A 4xoyA-4qtbA:
19.0
4xoyA-4qtbA:
85.71
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)
4qtb MITOGEN-ACTIVATED
PROTEIN KINASE 3

(Homo
sapiens)
5 / 6 ALA A  69
GLN A 122
LEU A 124
MET A 125
LEU A 173
38Z  A 418 (-3.4A)
38Z  A 418 (-3.7A)
38Z  A 418 ( 4.8A)
None
38Z  A 418 (-4.4A)
0.32A 4xp3A-4qtbA:
50.5
4xp3A-4qtbA:
85.71
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.
5A5Z_A_WJZA304_0
(BETA-LACTAMASE NDM-1)
4qtb MITOGEN-ACTIVATED
PROTEIN KINASE 3

(Homo
sapiens)
4 / 8 VAL A 321
HIS A 164
ASP A 227
HIS A 158
None
0.94A 5a5zA-4qtbA:
undetectable
5a5zA-4qtbA:
21.41
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.
5HES_A_032A401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)
4qtb MITOGEN-ACTIVATED
PROTEIN KINASE 3

(Homo
sapiens)
5 / 12 VAL A  56
ALA A  69
ILE A 101
ILE A 120
CYH A 183
None
38Z  A 418 (-3.4A)
38Z  A 418 ( 4.9A)
None
38Z  A 418 ( 3.8A)
0.68A 5hesA-4qtbA:
20.3
5hesA-4qtbA:
27.11
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.
5IZJ_F_AZ1F2_1
(CAMP-DEPENDENT
PROTEIN KINASE
CATALYTIC SUBUNIT
ALPHA
47P-AZ1-DAR-DAR-DAR)
4qtb MITOGEN-ACTIVATED
PROTEIN KINASE 3

(Homo
sapiens)
4 / 7 GLY A  49
GLY A  51
GLY A  54
VAL A  56
None
0.37A 5izjB-4qtbA:
19.1
5izjB-4qtbA:
26.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5L2I_A_LQQA900_1
(CYCLIN-DEPENDENT
KINASE 6)
4qtb MITOGEN-ACTIVATED
PROTEIN KINASE 3

(Homo
sapiens)
7 / 12 ILE A  48
GLY A  49
TYR A  53
VAL A  56
ALA A  69
ASP A 128
LEU A 173
38Z  A 418 ( 4.4A)
None
38Z  A 418 (-3.5A)
None
38Z  A 418 (-3.4A)
EDO  A 413 (-2.9A)
38Z  A 418 (-4.4A)
0.75A 5l2iA-4qtbA:
14.0
5l2iA-4qtbA:
34.06
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.
5LW1_B_ADNB401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE 8)
4qtb MITOGEN-ACTIVATED
PROTEIN KINASE 3

(Homo
sapiens)
6 / 9 ILE A  48
GLY A  49
VAL A  56
ALA A  69
ILE A 101
MET A 125
38Z  A 418 ( 4.4A)
None
None
38Z  A 418 (-3.4A)
38Z  A 418 ( 4.9A)
None
0.62A 5lw1B-4qtbA:
26.0
5lw1B-4qtbA:
10.46
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)
4qtb MITOGEN-ACTIVATED
PROTEIN KINASE 3

(Homo
sapiens)
6 / 10 GLY A  49
VAL A  56
ALA A  69
ILE A 101
LEU A 124
MET A 125
None
None
38Z  A 418 (-3.4A)
38Z  A 418 ( 4.9A)
38Z  A 418 ( 4.8A)
None
0.54A 5lw1E-4qtbA:
24.6
5lw1E-4qtbA:
10.46
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)
4qtb MITOGEN-ACTIVATED
PROTEIN KINASE 3

(Homo
sapiens)
5 / 9 GLY A  49
VAL A  56
ALA A  69
LEU A 124
MET A 125
None
None
38Z  A 418 (-3.4A)
38Z  A 418 ( 4.8A)
None
0.41A 5lw1H-4qtbA:
37.8
5lw1H-4qtbA:
10.46
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.
5N4T_B_BEZB306_0
(BETA-LACTAMASE VIM-2)
4qtb MITOGEN-ACTIVATED
PROTEIN KINASE 3

(Homo
sapiens)
3 / 3 HIS A 197
ASN A 218
ALA A 277
CL  A 416 (-4.3A)
CL  A 416 (-4.1A)
None
0.80A 5n4tB-4qtbA:
undetectable
5n4tB-4qtbA:
20.42
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.
5VLM_F_CVIF301_1
(REGULATORY PROTEIN
TETR)
4qtb MITOGEN-ACTIVATED
PROTEIN KINASE 3

(Homo
sapiens)
4 / 8 ILE A  91
GLN A 122
VAL A 100
ASP A 227
None
38Z  A 418 (-3.7A)
None
None
1.14A 5vlmF-4qtbA:
undetectable
5vlmF-4qtbA:
20.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5WP1_A_BEZA403_0
(MITOGEN-ACTIVATED
PROTEIN KINASE 1)
4qtb MITOGEN-ACTIVATED
PROTEIN KINASE 3

(Homo
sapiens)
4 / 4 GLY A 199
PHE A 200
ASN A 274
LYS A 276
None
None
CL  A 416 (-3.7A)
None
0.79A 5wp1A-4qtbA:
37.9
5wp1A-4qtbA:
82.98
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.
5X1F_W_CHDW101_0
(CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)
4qtb MITOGEN-ACTIVATED
PROTEIN KINASE 3

(Homo
sapiens)
4 / 5 ARG A 309
MET A 310
THR A 312
LEU A 311
None
1.37A 5x1fW-4qtbA:
undetectable
5x1fW-4qtbA:
9.73
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.
6EKU_A_ZMRA901_2
(SIALIDASE)
4qtb MITOGEN-ACTIVATED
PROTEIN KINASE 3

(Homo
sapiens)
4 / 6 GLN A 136
LEU A 138
SER A 139
PHE A 146
None
0.91A 6ekuA-4qtbA:
2.0
6ekuA-4qtbA:
19.16
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
(-)
4qtb MITOGEN-ACTIVATED
PROTEIN KINASE 3

(Homo
sapiens)
7 / 12 ILE A  48
VAL A  56
ALA A  69
GLU A  88
ILE A 120
MET A 125
LEU A 173
38Z  A 418 ( 4.4A)
None
38Z  A 418 (-3.4A)
38Z  A 418 (-3.4A)
None
None
38Z  A 418 (-4.4A)
0.88A 6fnmA-4qtbA:
17.3
6fnmA-4qtbA:
26.58
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.
6NKN_W_CHDW102_0
(CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)
4qtb MITOGEN-ACTIVATED
PROTEIN KINASE 3

(Homo
sapiens)
4 / 5 ARG A 309
MET A 310
THR A 312
LEU A 311
None
1.27A 6nknW-4qtbA:
undetectable
6nknW-4qtbA:
9.73