SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4RB'


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.
1IEP_B_STIB202_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL)
3bqr DEATH-ASSOCIATED
PROTEIN KINASE 3

(Homo
sapiens)
6 / 12 LEU A  19
VAL A  27
ALA A  40
GLU A  64
ILE A  71
GLY A  99
4RB  A 401 ( 3.9A)
4RB  A 401 ( 4.4A)
4RB  A 401 (-3.3A)
GOL  A 503 (-2.8A)
None
None
0.72A 1iepB-3bqrA:
20.6
1iepB-3bqrA:
26.92
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_1
(B-RAF PROTO-ONCOGENE
SERINE/THREONINE-PRO
TEIN KINASE)
3bqr DEATH-ASSOCIATED
PROTEIN KINASE 3

(Homo
sapiens)
5 / 12 ALA A  40
GLU A  64
LEU A  68
LEU A 130
HIS A 137
4RB  A 401 (-3.3A)
GOL  A 503 (-2.8A)
None
None
None
0.54A 1uwhA-3bqrA:
22.5
1uwhA-3bqrA:
27.12
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_B_BAXB1723_1
(B-RAF PROTO-ONCOGENE
SERINE/THREONINE-PRO
TEIN KINASE)
3bqr DEATH-ASSOCIATED
PROTEIN KINASE 3

(Homo
sapiens)
6 / 12 ALA A  40
LYS A  42
GLU A  64
LEU A  68
LEU A 130
HIS A 137
4RB  A 401 (-3.3A)
4RB  A 401 ( 2.8A)
GOL  A 503 (-2.8A)
None
None
None
0.60A 1uwhB-3bqrA:
22.4
1uwhB-3bqrA:
27.12
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.
1XKK_A_FMMA91_2
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
3bqr DEATH-ASSOCIATED
PROTEIN KINASE 3

(Homo
sapiens)
5 / 9 LEU A  19
VAL A  27
LEU A  79
LEU A  91
LEU A  95
4RB  A 401 ( 3.9A)
4RB  A 401 ( 4.4A)
PGO  A 501 ( 4.6A)
None
4RB  A 401 (-4.4A)
0.47A 1xkkA-3bqrA:
20.9
1xkkA-3bqrA:
24.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1YI4_A_ADNA306_1
(PROTO-ONCOGENE
SERINE/THREONINE-PRO
TEIN KINASE PIM-1)
3bqr DEATH-ASSOCIATED
PROTEIN KINASE 3

(Homo
sapiens)
5 / 10 LEU A  19
ALA A  40
ILE A  77
LEU A  93
ILE A 160
4RB  A 401 ( 3.9A)
4RB  A 401 (-3.3A)
4RB  A 401 ( 4.3A)
4RB  A 401 ( 4.1A)
4RB  A 401 (-3.5A)
0.80A 1yi4A-3bqrA:
26.1
1yi4A-3bqrA:
30.10
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.
2FUM_A_MIXA539_1
(PROBABLE
SERINE/THREONINE-PRO
TEIN KINASE PKNB)
3bqr DEATH-ASSOCIATED
PROTEIN KINASE 3

(Homo
sapiens)
8 / 12 LEU A  19
VAL A  27
ALA A  40
VAL A  96
ASP A 139
LYS A 141
ASN A 144
MET A 146
4RB  A 401 ( 3.9A)
4RB  A 401 ( 4.4A)
4RB  A 401 (-3.3A)
4RB  A 401 ( 4.1A)
None
None
None
4RB  A 401 (-2.8A)
0.84A 2fumA-3bqrA:
25.8
2fumA-3bqrA:
28.57
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.
2FUM_A_MIXA539_1
(PROBABLE
SERINE/THREONINE-PRO
TEIN KINASE PKNB)
3bqr DEATH-ASSOCIATED
PROTEIN KINASE 3

(Homo
sapiens)
8 / 12 VAL A  27
ALA A  40
VAL A  96
ASP A 139
LYS A 141
ASN A 144
MET A 146
ASP A 161
4RB  A 401 ( 4.4A)
4RB  A 401 (-3.3A)
4RB  A 401 ( 4.1A)
None
None
None
4RB  A 401 (-2.8A)
GOL  A 503 ( 3.1A)
0.77A 2fumA-3bqrA:
25.8
2fumA-3bqrA:
28.57
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.
2FUM_C_MIXC2539_1
(PROBABLE
SERINE/THREONINE-PRO
TEIN KINASE PKNB)
3bqr DEATH-ASSOCIATED
PROTEIN KINASE 3

(Homo
sapiens)
6 / 12 LEU A  19
GLY A  20
VAL A  27
ALA A  40
VAL A  96
MET A 146
4RB  A 401 ( 3.9A)
4RB  A 401 (-3.6A)
4RB  A 401 ( 4.4A)
4RB  A 401 (-3.3A)
4RB  A 401 ( 4.1A)
4RB  A 401 (-2.8A)
0.82A 2fumC-3bqrA:
24.5
2fumC-3bqrA:
28.57
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.
2FUM_C_MIXC2539_1
(PROBABLE
SERINE/THREONINE-PRO
TEIN KINASE PKNB)
3bqr DEATH-ASSOCIATED
PROTEIN KINASE 3

(Homo
sapiens)
6 / 12 LEU A  19
VAL A  27
ALA A  40
VAL A  96
ASN A 144
MET A 146
4RB  A 401 ( 3.9A)
4RB  A 401 ( 4.4A)
4RB  A 401 (-3.3A)
4RB  A 401 ( 4.1A)
None
4RB  A 401 (-2.8A)
0.81A 2fumC-3bqrA:
24.5
2fumC-3bqrA:
28.57
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.
2ITY_A_IREA2020_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
3bqr DEATH-ASSOCIATED
PROTEIN KINASE 3

(Homo
sapiens)
8 / 12 LEU A  19
GLY A  20
VAL A  27
ALA A  40
LYS A  42
GLU A  64
LEU A  91
ASP A 161
4RB  A 401 ( 3.9A)
4RB  A 401 (-3.6A)
4RB  A 401 ( 4.4A)
4RB  A 401 (-3.3A)
4RB  A 401 ( 2.8A)
GOL  A 503 (-2.8A)
None
GOL  A 503 ( 3.1A)
0.75A 2ityA-3bqrA:
22.4
2ityA-3bqrA:
25.22
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.
2WGJ_A_VGHA2346_1
(HEPATOCYTE GROWTH
FACTOR RECEPTOR)
3bqr DEATH-ASSOCIATED
PROTEIN KINASE 3

(Homo
sapiens)
6 / 12 GLY A  20
VAL A  27
ALA A  40
LEU A  93
MET A 146
ASP A 161
4RB  A 401 (-3.6A)
4RB  A 401 ( 4.4A)
4RB  A 401 (-3.3A)
4RB  A 401 ( 4.1A)
4RB  A 401 (-2.8A)
GOL  A 503 ( 3.1A)
0.74A 2wgjA-3bqrA:
20.9
2wgjA-3bqrA:
25.98
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.
2YGQ_A_PCFA1275_0
(WNT INHIBITORY
FACTOR 1)
3bqr DEATH-ASSOCIATED
PROTEIN KINASE 3

(Homo
sapiens)
5 / 12 LEU A 210
ILE A 123
LEU A 159
ILE A 206
ILE A 160
None
None
None
None
4RB  A 401 (-3.5A)
1.04A 2ygqA-3bqrA:
undetectable
2ygqA-3bqrA:
19.69
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.
3GP0_A_NILA1_1
(MITOGEN-ACTIVATED
PROTEIN KINASE 11)
3bqr DEATH-ASSOCIATED
PROTEIN KINASE 3

(Homo
sapiens)
6 / 12 ALA A  40
GLU A  64
LEU A  68
ILE A  77
HIS A 137
ASP A 161
4RB  A 401 (-3.3A)
GOL  A 503 (-2.8A)
None
4RB  A 401 ( 4.3A)
None
GOL  A 503 ( 3.1A)
1.17A 3gp0A-3bqrA:
21.0
3gp0A-3bqrA:
27.98
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.
3GP0_A_NILA1_1
(MITOGEN-ACTIVATED
PROTEIN KINASE 11)
3bqr DEATH-ASSOCIATED
PROTEIN KINASE 3

(Homo
sapiens)
6 / 12 VAL A  27
ALA A  40
GLU A  64
LEU A  68
ILE A  77
HIS A 137
4RB  A 401 ( 4.4A)
4RB  A 401 (-3.3A)
GOL  A 503 (-2.8A)
None
4RB  A 401 ( 4.3A)
None
0.65A 3gp0A-3bqrA:
21.0
3gp0A-3bqrA:
27.98
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.
3HEC_A_STIA1_1
(MITOGEN-ACTIVATED
PROTEIN KINASE 14)
3bqr DEATH-ASSOCIATED
PROTEIN KINASE 3

(Homo
sapiens)
5 / 12 ALA A  40
LYS A  42
GLU A  64
LEU A  68
LEU A  95
4RB  A 401 (-3.3A)
4RB  A 401 ( 2.8A)
GOL  A 503 (-2.8A)
None
4RB  A 401 (-4.4A)
0.56A 3hecA-3bqrA:
21.0
3hecA-3bqrA:
28.01
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.
3HEC_A_STIA1_1
(MITOGEN-ACTIVATED
PROTEIN KINASE 14)
3bqr DEATH-ASSOCIATED
PROTEIN KINASE 3

(Homo
sapiens)
5 / 12 ALA A  40
LYS A  42
LEU A  68
ILE A  77
LEU A  95
4RB  A 401 (-3.3A)
4RB  A 401 ( 2.8A)
None
4RB  A 401 ( 4.3A)
4RB  A 401 (-4.4A)
0.66A 3hecA-3bqrA:
21.0
3hecA-3bqrA:
28.01
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.
3HEG_A_BAXA1_1
(MITOGEN-ACTIVATED
PROTEIN KINASE 14)
3bqr DEATH-ASSOCIATED
PROTEIN KINASE 3

(Homo
sapiens)
5 / 12 VAL A  27
ALA A  40
LYS A  42
LEU A  68
ILE A  77
4RB  A 401 ( 4.4A)
4RB  A 401 (-3.3A)
4RB  A 401 ( 2.8A)
None
4RB  A 401 ( 4.3A)
0.60A 3hegA-3bqrA:
20.7
3hegA-3bqrA:
28.01
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.
3LFA_A_1N1A361_1
(MITOGEN-ACTIVATED
PROTEIN KINASE 14)
3bqr DEATH-ASSOCIATED
PROTEIN KINASE 3

(Homo
sapiens)
5 / 8 ALA A  40
LYS A  42
GLU A  64
LEU A  91
LEU A  95
4RB  A 401 (-3.3A)
4RB  A 401 ( 2.8A)
GOL  A 503 (-2.8A)
None
4RB  A 401 (-4.4A)
0.53A 3lfaA-3bqrA:
21.2
3lfaA-3bqrA:
27.35
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.
3OHT_A_1N1A1000_1
(P38A)
3bqr DEATH-ASSOCIATED
PROTEIN KINASE 3

(Homo
sapiens)
6 / 12 GLY A  20
VAL A  27
ALA A  40
LYS A  42
LEU A  68
ILE A  77
4RB  A 401 (-3.6A)
4RB  A 401 ( 4.4A)
4RB  A 401 (-3.3A)
4RB  A 401 ( 2.8A)
None
4RB  A 401 ( 4.3A)
0.61A 3ohtA-3bqrA:
4.0
3ohtA-3bqrA:
25.44
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.
3OHT_B_1N1B1000_1
(P38A)
3bqr DEATH-ASSOCIATED
PROTEIN KINASE 3

(Homo
sapiens)
6 / 12 GLY A  20
VAL A  27
ALA A  40
LYS A  42
LEU A  68
ILE A  77
4RB  A 401 (-3.6A)
4RB  A 401 ( 4.4A)
4RB  A 401 (-3.3A)
4RB  A 401 ( 2.8A)
None
4RB  A 401 ( 4.3A)
0.61A 3ohtB-3bqrA:
18.6
3ohtB-3bqrA:
25.44
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.
3RGF_A_BAXA465_1
(CYCLIN-DEPENDENT
KINASE 8)
3bqr DEATH-ASSOCIATED
PROTEIN KINASE 3

(Homo
sapiens)
7 / 12 VAL A  27
ALA A  40
GLU A  64
LEU A  68
ILE A  77
LEU A 130
HIS A 137
4RB  A 401 ( 4.4A)
4RB  A 401 (-3.3A)
GOL  A 503 (-2.8A)
None
4RB  A 401 ( 4.3A)
None
None
0.58A 3rgfA-3bqrA:
21.8
3rgfA-3bqrA:
26.56
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.
3UG2_A_IREA1_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
3bqr DEATH-ASSOCIATED
PROTEIN KINASE 3

(Homo
sapiens)
7 / 12 LEU A  19
VAL A  27
ALA A  40
LYS A  42
LEU A  91
LEU A  95
ASP A 103
4RB  A 401 ( 3.9A)
4RB  A 401 ( 4.4A)
4RB  A 401 (-3.3A)
4RB  A 401 ( 2.8A)
None
4RB  A 401 (-4.4A)
None
0.70A 3ug2A-3bqrA:
21.7
3ug2A-3bqrA:
25.29
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.
3WAR_A_NIOA401_1
(CASEIN KINASE II
SUBUNIT ALPHA)
3bqr DEATH-ASSOCIATED
PROTEIN KINASE 3

(Homo
sapiens)
5 / 8 LYS A  42
ILE A  77
MET A 146
ILE A 160
ASP A 161
4RB  A 401 ( 2.8A)
4RB  A 401 ( 4.3A)
4RB  A 401 (-2.8A)
4RB  A 401 (-3.5A)
GOL  A 503 ( 3.1A)
0.38A 3warA-3bqrA:
24.5
3warA-3bqrA:
27.84
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.
3WAR_A_NIOA401_1
(CASEIN KINASE II
SUBUNIT ALPHA)
3bqr DEATH-ASSOCIATED
PROTEIN KINASE 3

(Homo
sapiens)
5 / 8 VAL A  27
LYS A  42
ILE A  77
MET A 146
ILE A 160
4RB  A 401 ( 4.4A)
4RB  A 401 ( 2.8A)
4RB  A 401 ( 4.3A)
4RB  A 401 (-2.8A)
4RB  A 401 (-3.5A)
0.38A 3warA-3bqrA:
24.5
3warA-3bqrA:
27.84
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_1
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)
3bqr DEATH-ASSOCIATED
PROTEIN KINASE 3

(Homo
sapiens)
7 / 12 LEU A  19
VAL A  27
ALA A  40
LYS A  42
LEU A  68
ILE A  71
HIS A 137
4RB  A 401 ( 3.9A)
4RB  A 401 ( 4.4A)
4RB  A 401 (-3.3A)
4RB  A 401 ( 2.8A)
None
None
None
0.61A 3wzeA-3bqrA:
20.2
3wzeA-3bqrA:
27.19
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.
3WZE_A_BAXA1201_1
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)
3bqr DEATH-ASSOCIATED
PROTEIN KINASE 3

(Homo
sapiens)
7 / 12 VAL A  27
ALA A  40
LYS A  42
LEU A  68
ILE A  71
LEU A 130
HIS A 137
4RB  A 401 ( 4.4A)
4RB  A 401 (-3.3A)
4RB  A 401 ( 2.8A)
None
None
None
None
0.65A 3wzeA-3bqrA:
20.2
3wzeA-3bqrA:
27.19
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.
3ZBF_A_VGHA3000_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ROS)
3bqr DEATH-ASSOCIATED
PROTEIN KINASE 3

(Homo
sapiens)
5 / 12 LEU A  19
ALA A  40
LEU A  93
LEU A  95
ASP A 161
4RB  A 401 ( 3.9A)
4RB  A 401 (-3.3A)
4RB  A 401 ( 4.1A)
4RB  A 401 (-4.4A)
GOL  A 503 ( 3.1A)
0.42A 3zbfA-3bqrA:
23.3
3zbfA-3bqrA:
25.15
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_1
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)
3bqr DEATH-ASSOCIATED
PROTEIN KINASE 3

(Homo
sapiens)
9 / 12 LEU A  19
VAL A  27
ALA A  40
LYS A  42
GLU A  64
LEU A  68
GLY A  99
LEU A 130
HIS A 137
4RB  A 401 ( 3.9A)
4RB  A 401 ( 4.4A)
4RB  A 401 (-3.3A)
4RB  A 401 ( 2.8A)
GOL  A 503 (-2.8A)
None
None
None
None
0.82A 4asdA-3bqrA:
20.0
4asdA-3bqrA:
25.88
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)
3bqr DEATH-ASSOCIATED
PROTEIN KINASE 3

(Homo
sapiens)
8 / 12 VAL A  27
ALA A  40
ILE A  77
ASP A 103
ASP A 139
ASN A 144
ILE A 160
ASP A 161
4RB  A 401 ( 4.4A)
4RB  A 401 (-3.3A)
4RB  A 401 ( 4.3A)
None
None
None
4RB  A 401 (-3.5A)
GOL  A 503 ( 3.1A)
0.61A 4i41A-3bqrA:
26.0
4i41A-3bqrA:
29.73
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.
4I41_A_MIXA500_1
(SERINE/THREONINE-PRO
TEIN KINASE PIM-1)
3bqr DEATH-ASSOCIATED
PROTEIN KINASE 3

(Homo
sapiens)
8 / 12 VAL A  27
ALA A  40
ILE A  77
ASP A 103
ASP A 139
LYS A 141
ASN A 144
ILE A 160
4RB  A 401 ( 4.4A)
4RB  A 401 (-3.3A)
4RB  A 401 ( 4.3A)
None
None
None
None
4RB  A 401 (-3.5A)
0.68A 4i41A-3bqrA:
26.0
4i41A-3bqrA:
29.73
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.
4IAA_A_RTZA401_1
(SERINE/THREONINE-PRO
TEIN KINASE PIM-1)
3bqr DEATH-ASSOCIATED
PROTEIN KINASE 3

(Homo
sapiens)
6 / 11 VAL A  27
ALA A  40
LYS A  42
LEU A  93
ILE A 160
ASP A 161
4RB  A 401 ( 4.4A)
4RB  A 401 (-3.3A)
4RB  A 401 ( 2.8A)
4RB  A 401 ( 4.1A)
4RB  A 401 (-3.5A)
GOL  A 503 ( 3.1A)
0.40A 4iaaA-3bqrA:
26.0
4iaaA-3bqrA:
29.51
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.
4IFG_A_1E8A601_1
(CALMODULIN-DOMAIN
PROTEIN KINASE 1)
3bqr DEATH-ASSOCIATED
PROTEIN KINASE 3

(Homo
sapiens)
8 / 12 GLY A  20
VAL A  27
ALA A  40
LEU A  79
LEU A  91
GLY A  99
GLU A 100
ILE A 160
4RB  A 401 (-3.6A)
4RB  A 401 ( 4.4A)
4RB  A 401 (-3.3A)
PGO  A 501 ( 4.6A)
None
None
4RB  A 401 (-3.8A)
4RB  A 401 (-3.5A)
0.46A 4ifgA-3bqrA:
25.0
4ifgA-3bqrA:
23.83
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.
4MKC_A_4MKA1503_1
(ALK TYROSINE KINASE
RECEPTOR)
3bqr DEATH-ASSOCIATED
PROTEIN KINASE 3

(Homo
sapiens)
7 / 12 LEU A  19
VAL A  27
ALA A  40
LYS A  42
LEU A  93
LEU A  95
ASP A 161
4RB  A 401 ( 3.9A)
4RB  A 401 ( 4.4A)
4RB  A 401 (-3.3A)
4RB  A 401 ( 2.8A)
4RB  A 401 ( 4.1A)
4RB  A 401 (-4.4A)
GOL  A 503 ( 3.1A)
0.50A 4mkcA-3bqrA:
21.7
4mkcA-3bqrA:
23.12
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)
3bqr DEATH-ASSOCIATED
PROTEIN KINASE 3

(Homo
sapiens)
5 / 10 ALA A  40
LYS A  42
ILE A  77
LEU A  95
VAL A  96
4RB  A 401 (-3.3A)
4RB  A 401 ( 2.8A)
4RB  A 401 ( 4.3A)
4RB  A 401 (-4.4A)
4RB  A 401 ( 4.1A)
0.45A 4rz7A-3bqrA:
6.9
4rz7A-3bqrA:
14.69
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.
4V01_A_0LIA1776_1
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1
(FMS-RELATED
TYROSINE KINASE 2,
PFEIFFER SYNDROME),
ISOFORM CRA_B)
3bqr DEATH-ASSOCIATED
PROTEIN KINASE 3

(Homo
sapiens)
5 / 12 ALA A  40
GLU A  64
ILE A  71
LEU A 130
HIS A 137
4RB  A 401 (-3.3A)
GOL  A 503 (-2.8A)
None
None
None
0.83A 4v01A-3bqrA:
20.2
4v01A-3bqrA:
25.08
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.
4WKQ_A_IREA1101_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
3bqr DEATH-ASSOCIATED
PROTEIN KINASE 3

(Homo
sapiens)
6 / 12 LEU A  19
ALA A  40
LYS A  42
GLU A  64
LEU A  91
LEU A  95
4RB  A 401 ( 3.9A)
4RB  A 401 (-3.3A)
4RB  A 401 ( 2.8A)
GOL  A 503 (-2.8A)
None
4RB  A 401 (-4.4A)
0.49A 4wkqA-3bqrA:
22.3
4wkqA-3bqrA:
25.87
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.
4XV2_B_P06B801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)
3bqr DEATH-ASSOCIATED
PROTEIN KINASE 3

(Homo
sapiens)
5 / 12 ALA A  40
LYS A  42
LEU A  68
ASP A 161
PHE A 162
4RB  A 401 (-3.3A)
4RB  A 401 ( 2.8A)
None
GOL  A 503 ( 3.1A)
None
0.76A 4xv2B-3bqrA:
22.7
4xv2B-3bqrA:
28.53
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.
5CSW_A_P06A801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)
3bqr DEATH-ASSOCIATED
PROTEIN KINASE 3

(Homo
sapiens)
5 / 12 VAL A  27
ALA A  40
LYS A  42
LEU A  68
PHE A 162
4RB  A 401 ( 4.4A)
4RB  A 401 (-3.3A)
4RB  A 401 ( 2.8A)
None
None
0.73A 5cswA-3bqrA:
22.4
5cswA-3bqrA:
28.12
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.
5CSW_B_P06B801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)
3bqr DEATH-ASSOCIATED
PROTEIN KINASE 3

(Homo
sapiens)
5 / 12 VAL A  27
ALA A  40
LYS A  42
LEU A  68
PHE A 162
4RB  A 401 ( 4.4A)
4RB  A 401 (-3.3A)
4RB  A 401 ( 2.8A)
None
None
0.75A 5cswB-3bqrA:
22.4
5cswB-3bqrA:
28.12
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.
5HI2_A_BAXA801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)
3bqr DEATH-ASSOCIATED
PROTEIN KINASE 3

(Homo
sapiens)
6 / 12 ALA A  40
LYS A  42
GLU A  64
LEU A  68
LEU A 130
HIS A 137
4RB  A 401 (-3.3A)
4RB  A 401 ( 2.8A)
GOL  A 503 (-2.8A)
None
None
None
0.70A 5hi2A-3bqrA:
23.2
5hi2A-3bqrA:
28.85
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.
5IZF_E_AZ1E2_1
(CAMP-DEPENDENT
PROTEIN KINASE
CATALYTIC SUBUNIT
ALPHA
6J9-ZEU-DAR-ACA-DAR-
NH2)
3bqr DEATH-ASSOCIATED
PROTEIN KINASE 3

(Homo
sapiens)
4 / 7 GLY A  20
GLY A  22
LYS A  42
GLU A 100
4RB  A 401 (-3.6A)
None
4RB  A 401 ( 2.8A)
4RB  A 401 (-3.8A)
0.52A 5izfA-3bqrA:
20.4
5izfA-3bqrA:
26.94
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.
5IZJ_G_AZ1G2_1
(CAMP-DEPENDENT
PROTEIN KINASE
CATALYTIC SUBUNIT
ALPHA
47P-AZ1-DAR-DAR)
3bqr DEATH-ASSOCIATED
PROTEIN KINASE 3

(Homo
sapiens)
4 / 7 GLY A  20
GLY A  22
VAL A  27
LYS A  42
4RB  A 401 (-3.6A)
None
4RB  A 401 ( 4.4A)
4RB  A 401 ( 2.8A)
0.37A 5izjA-3bqrA:
19.3
5izjA-3bqrA:
26.94
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.
5J5X_B_AZ1B2_1
(CAMP-DEPENDENT
PROTEIN KINASE
CATALYTIC SUBUNIT
ALPHA
47P-AZ1-DAL-DAR-DAR-
DAR-DAR)
3bqr DEATH-ASSOCIATED
PROTEIN KINASE 3

(Homo
sapiens)
5 / 7 GLY A  20
GLY A  22
VAL A  27
LYS A  42
ASP A 161
4RB  A 401 (-3.6A)
None
4RB  A 401 ( 4.4A)
4RB  A 401 ( 2.8A)
GOL  A 503 ( 3.1A)
0.78A 5j5xA-3bqrA:
26.0
5j5xA-3bqrA:
26.94
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.
5LVN_A_ADNA402_1
(3-PHOSPHOINOSITIDE-D
EPENDENT PROTEIN
KINASE 1)
3bqr DEATH-ASSOCIATED
PROTEIN KINASE 3

(Homo
sapiens)
6 / 11 LEU A  19
GLY A  20
VAL A  27
ALA A  40
LEU A  93
GLU A 100
4RB  A 401 ( 3.9A)
4RB  A 401 (-3.6A)
4RB  A 401 ( 4.4A)
4RB  A 401 (-3.3A)
4RB  A 401 ( 4.1A)
4RB  A 401 (-3.8A)
0.47A 5lvnA-3bqrA:
27.8
5lvnA-3bqrA:
27.71
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.
5LW1_E_ADNE401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE 8)
3bqr DEATH-ASSOCIATED
PROTEIN KINASE 3

(Homo
sapiens)
5 / 10 GLY A  20
VAL A  27
ALA A  40
ILE A  77
LEU A  95
4RB  A 401 (-3.6A)
4RB  A 401 ( 4.4A)
4RB  A 401 (-3.3A)
4RB  A 401 ( 4.3A)
4RB  A 401 (-4.4A)
0.65A 5lw1E-3bqrA:
20.6
5lw1E-3bqrA:
12.82
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.
5MAF_A_XINA403_1
(MATERNAL EMBRYONIC
LEUCINE ZIPPER
KINASE)
3bqr DEATH-ASSOCIATED
PROTEIN KINASE 3

(Homo
sapiens)
8 / 12 GLU A  17
GLY A  20
VAL A  27
ALA A  40
LYS A  42
GLU A  64
LEU A  93
GLU A 100
None
4RB  A 401 (-3.6A)
4RB  A 401 ( 4.4A)
4RB  A 401 (-3.3A)
4RB  A 401 ( 2.8A)
GOL  A 503 (-2.8A)
4RB  A 401 ( 4.1A)
4RB  A 401 (-3.8A)
0.83A 5mafA-3bqrA:
28.5
5mafA-3bqrA:
13.04
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.
5MAF_A_XINA403_1
(MATERNAL EMBRYONIC
LEUCINE ZIPPER
KINASE)
3bqr DEATH-ASSOCIATED
PROTEIN KINASE 3

(Homo
sapiens)
9 / 12 GLU A  17
GLY A  20
VAL A  27
ALA A  40
LYS A  42
LEU A  93
GLY A  99
GLU A 100
ILE A 160
None
4RB  A 401 (-3.6A)
4RB  A 401 ( 4.4A)
4RB  A 401 (-3.3A)
4RB  A 401 ( 2.8A)
4RB  A 401 ( 4.1A)
None
4RB  A 401 (-3.8A)
4RB  A 401 (-3.5A)
0.80A 5mafA-3bqrA:
28.5
5mafA-3bqrA:
13.04
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.
5VCY_A_DB8A401_1
(MEMBRANE-ASSOCIATED
TYROSINE- AND
THREONINE-SPECIFIC
CDC2-INHIBITORY
KINASE)
3bqr DEATH-ASSOCIATED
PROTEIN KINASE 3

(Homo
sapiens)
6 / 12 LEU A  19
VAL A  27
ALA A  40
LYS A  42
GLU A  64
LEU A  91
4RB  A 401 ( 3.9A)
4RB  A 401 ( 4.4A)
4RB  A 401 (-3.3A)
4RB  A 401 ( 2.8A)
GOL  A 503 (-2.8A)
None
0.66A 5vcyA-3bqrA:
23.9
5vcyA-3bqrA:
26.59
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.
5Y7Z_B_IREB401_0
(CYCLIN-G-ASSOCIATED
KINASE)
3bqr DEATH-ASSOCIATED
PROTEIN KINASE 3

(Homo
sapiens)
7 / 12 LEU A  19
ALA A  40
LYS A  42
GLU A  64
LEU A  91
LEU A  95
ASP A 161
4RB  A 401 ( 3.9A)
4RB  A 401 (-3.3A)
4RB  A 401 ( 2.8A)
GOL  A 503 (-2.8A)
None
4RB  A 401 (-4.4A)
GOL  A 503 ( 3.1A)
0.84A 5y7zB-3bqrA:
24.1
5y7zB-3bqrA:
16.18
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.
5Y9M_A_NIOA401_1
(CASEIN KINASE II
SUBUNIT ALPHA')
3bqr DEATH-ASSOCIATED
PROTEIN KINASE 3

(Homo
sapiens)
5 / 8 VAL A  27
LYS A  42
MET A 146
ILE A 160
ASP A 161
4RB  A 401 ( 4.4A)
4RB  A 401 ( 2.8A)
4RB  A 401 (-2.8A)
4RB  A 401 (-3.5A)
GOL  A 503 ( 3.1A)
0.70A 5y9mA-3bqrA:
23.3
5y9mA-3bqrA:
16.46
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.
5Y9M_X_NIOX401_1
(CASEIN KINASE II
SUBUNIT ALPHA')
3bqr DEATH-ASSOCIATED
PROTEIN KINASE 3

(Homo
sapiens)
5 / 8 VAL A  27
LYS A  42
MET A 146
ILE A 160
ASP A 161
4RB  A 401 ( 4.4A)
4RB  A 401 ( 2.8A)
4RB  A 401 (-2.8A)
4RB  A 401 (-3.5A)
GOL  A 503 ( 3.1A)
0.70A 5y9mX-3bqrA:
23.4
5y9mX-3bqrA:
16.46
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.
5YF9_B_NIOB401_1
(CASEIN KINASE II
SUBUNIT ALPHA')
3bqr DEATH-ASSOCIATED
PROTEIN KINASE 3

(Homo
sapiens)
5 / 7 VAL A  27
LYS A  42
MET A 146
ILE A 160
ASP A 161
4RB  A 401 ( 4.4A)
4RB  A 401 ( 2.8A)
4RB  A 401 (-2.8A)
4RB  A 401 (-3.5A)
GOL  A 503 ( 3.1A)
0.82A 5yf9B-3bqrA:
23.2
5yf9B-3bqrA:
16.46
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.
5YF9_X_NIOX401_1
(CASEIN KINASE II
SUBUNIT ALPHA')
3bqr DEATH-ASSOCIATED
PROTEIN KINASE 3

(Homo
sapiens)
6 / 9 VAL A  27
LYS A  42
ILE A  77
MET A 146
ILE A 160
ASP A 161
4RB  A 401 ( 4.4A)
4RB  A 401 ( 2.8A)
4RB  A 401 ( 4.3A)
4RB  A 401 (-2.8A)
4RB  A 401 (-3.5A)
GOL  A 503 ( 3.1A)
0.79A 5yf9X-3bqrA:
23.8
5yf9X-3bqrA:
16.46
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.
5YWM_X_NIOX403_0
(CASEIN KINASE II
SUBUNIT ALPHA')
3bqr DEATH-ASSOCIATED
PROTEIN KINASE 3

(Homo
sapiens)
4 / 7 LYS A  42
ILE A  77
ILE A 160
ASP A 161
4RB  A 401 ( 2.8A)
4RB  A 401 ( 4.3A)
4RB  A 401 (-3.5A)
GOL  A 503 ( 3.1A)
0.29A 5ywmX-3bqrA:
23.4
5ywmX-3bqrA:
16.46
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.
5YWM_X_NIOX403_0
(CASEIN KINASE II
SUBUNIT ALPHA')
3bqr DEATH-ASSOCIATED
PROTEIN KINASE 3

(Homo
sapiens)
4 / 7 VAL A  27
LYS A  42
ILE A  77
ILE A 160
4RB  A 401 ( 4.4A)
4RB  A 401 ( 2.8A)
4RB  A 401 ( 4.3A)
4RB  A 401 (-3.5A)
0.36A 5ywmX-3bqrA:
23.4
5ywmX-3bqrA:
16.46