SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '6ao5'

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.
1MUO_A_ADNA1_1
(AURORA-RELATED
KINASE 1)
6ao5 SERINE/THREONINE-PRO
TEIN KINASE 3

(Homo
sapiens)
6 / 9 LEU A  33
GLY A  34
VAL A  41
ALA A  54
TYR A 101
LEU A 153
ANP  A 501 ( 3.8A)
ANP  A 501 ( 3.9A)
ANP  A 501 (-4.4A)
ANP  A 501 ( 3.7A)
ANP  A 501 ( 4.2A)
ANP  A 501 (-4.6A)
0.74A 1muoA-6ao5A:
21.1
1muoA-6ao5A:
26.36
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.
1ONI_E_BEZE509_0
(14.5 KDA
TRANSLATIONAL
INHIBITOR PROTEIN)
6ao5 SERINE/THREONINE-PRO
TEIN KINASE 3

(Homo
sapiens)
4 / 7 ILE A 182
PRO A 185
PHE A 186
ALA A 229
None
1.00A 1oniD-6ao5A:
undetectable
1oniE-6ao5A:
undetectable
1oniD-6ao5A:
18.99
1oniE-6ao5A:
18.99
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.
1ONI_H_BEZH515_0
(14.5 KDA
TRANSLATIONAL
INHIBITOR PROTEIN)
6ao5 SERINE/THREONINE-PRO
TEIN KINASE 3

(Homo
sapiens)
4 / 6 PHE A 186
ALA A 229
ILE A 182
PRO A 185
None
0.91A 1oniH-6ao5A:
undetectable
1oniI-6ao5A:
undetectable
1oniH-6ao5A:
18.99
1oniI-6ao5A:
18.99
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.
1XBB_A_STIA1_1
(TYROSINE-PROTEIN
KINASE SYK)
6ao5 SERINE/THREONINE-PRO
TEIN KINASE 3

(Homo
sapiens)
5 / 9 LEU A  33
VAL A  41
ALA A  54
GLY A 105
LEU A 153
ANP  A 501 ( 3.8A)
ANP  A 501 (-4.4A)
ANP  A 501 ( 3.7A)
ANP  A 501 ( 4.0A)
ANP  A 501 (-4.6A)
0.40A 1xbbA-6ao5A:
23.0
1xbbA-6ao5A:
23.96
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.
1XKK_A_FMMA91_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
6ao5 SERINE/THREONINE-PRO
TEIN KINASE 3

(Homo
sapiens)
6 / 12 ALA A  54
GLY A 105
ARG A 112
LEU A 153
ASP A 164
PHE A 165
ANP  A 501 ( 3.7A)
ANP  A 501 ( 4.0A)
None
ANP  A 501 (-4.6A)
MG  A 502 ( 3.1A)
None
0.93A 1xkkA-6ao5A:
24.6
1xkkA-6ao5A:
26.41
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.
1XKK_A_FMMA91_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
6ao5 SERINE/THREONINE-PRO
TEIN KINASE 3

(Homo
sapiens)
6 / 12 ALA A  54
MET A  74
GLY A 105
LEU A 153
ASP A 164
PHE A 165
ANP  A 501 ( 3.7A)
None
ANP  A 501 ( 4.0A)
ANP  A 501 (-4.6A)
MG  A 502 ( 3.1A)
None
0.72A 1xkkA-6ao5A:
24.6
1xkkA-6ao5A:
26.41
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.
2DYR_C_CHDC271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 3)
6ao5 SERINE/THREONINE-PRO
TEIN KINASE 3
PROTEIN SALVADOR
HOMOLOG 1

(Homo
sapiens;
Homo
sapiens)
4 / 8 LEU A 466
GLN A 468
PHE B 343
LEU B 347
None
0.81A 2dyrC-6ao5A:
undetectable
2dyrJ-6ao5A:
undetectable
2dyrC-6ao5A:
17.12
2dyrJ-6ao5A:
9.57
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.
2EIL_C_CHDC271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 3)
6ao5 SERINE/THREONINE-PRO
TEIN KINASE 3
PROTEIN SALVADOR
HOMOLOG 1

(Homo
sapiens;
Homo
sapiens)
4 / 8 LEU A 466
GLN A 468
PHE B 343
LEU B 347
None
0.84A 2eilC-6ao5A:
undetectable
2eilJ-6ao5A:
undetectable
2eilC-6ao5A:
17.12
2eilJ-6ao5A:
9.57
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.
2EVA_A_ADNA498_1
(TAK1 KINASE - TAB1
CHIMERA FUSION
PROTEIN)
6ao5 SERINE/THREONINE-PRO
TEIN KINASE 3

(Homo
sapiens)
7 / 11 GLY A  34
VAL A  41
ALA A  54
MET A  99
TYR A 101
SER A 106
LEU A 153
ANP  A 501 ( 3.9A)
ANP  A 501 (-4.4A)
ANP  A 501 ( 3.7A)
ANP  A 501 (-2.5A)
ANP  A 501 ( 4.2A)
ANP  A 501 (-2.4A)
ANP  A 501 (-4.6A)
0.69A 2evaA-6ao5A:
23.7
2evaA-6ao5A:
28.34
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.
2EVA_A_ADNA498_1
(TAK1 KINASE - TAB1
CHIMERA FUSION
PROTEIN)
6ao5 SERINE/THREONINE-PRO
TEIN KINASE 3

(Homo
sapiens)
7 / 11 VAL A  41
ALA A  54
MET A  99
TYR A 101
SER A 106
LEU A 153
ASP A 164
ANP  A 501 (-4.4A)
ANP  A 501 ( 3.7A)
ANP  A 501 (-2.5A)
ANP  A 501 ( 4.2A)
ANP  A 501 (-2.4A)
ANP  A 501 (-4.6A)
MG  A 502 ( 3.1A)
0.87A 2evaA-6ao5A:
23.7
2evaA-6ao5A:
28.34
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_B_MIXB1539_1
(PROBABLE
SERINE/THREONINE-PRO
TEIN KINASE PKNB)
6ao5 SERINE/THREONINE-PRO
TEIN KINASE 3

(Homo
sapiens)
7 / 12 LEU A  33
GLY A  34
VAL A  41
ALA A  54
MET A  99
TYR A 101
LYS A 148
ANP  A 501 ( 3.8A)
ANP  A 501 ( 3.9A)
ANP  A 501 (-4.4A)
ANP  A 501 ( 3.7A)
ANP  A 501 (-2.5A)
ANP  A 501 ( 4.2A)
ANP  A 501 (-3.1A)
1.08A 2fumB-6ao5A:
18.7
2fumB-6ao5A:
22.77
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_B_MIXB1539_1
(PROBABLE
SERINE/THREONINE-PRO
TEIN KINASE PKNB)
6ao5 SERINE/THREONINE-PRO
TEIN KINASE 3

(Homo
sapiens)
7 / 12 LEU A  33
VAL A  41
ALA A  54
TYR A 101
LYS A 148
ASN A 151
ASP A 164
ANP  A 501 ( 3.8A)
ANP  A 501 (-4.4A)
ANP  A 501 ( 3.7A)
ANP  A 501 ( 4.2A)
ANP  A 501 (-3.1A)
ANP  A 501 ( 2.6A)
MG  A 502 ( 3.1A)
1.08A 2fumB-6ao5A:
18.7
2fumB-6ao5A:
22.77
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)
6ao5 SERINE/THREONINE-PRO
TEIN KINASE 3

(Homo
sapiens)
6 / 12 LEU A  33
GLY A  34
VAL A  41
ALA A  54
MET A  99
TYR A 101
ANP  A 501 ( 3.8A)
ANP  A 501 ( 3.9A)
ANP  A 501 (-4.4A)
ANP  A 501 ( 3.7A)
ANP  A 501 (-2.5A)
ANP  A 501 ( 4.2A)
0.74A 2fumC-6ao5A:
10.8
2fumC-6ao5A:
22.77
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)
6ao5 SERINE/THREONINE-PRO
TEIN KINASE 3

(Homo
sapiens)
7 / 12 LEU A  33
VAL A  41
ALA A  54
MET A  99
TYR A 101
ASN A 151
ASP A 164
ANP  A 501 ( 3.8A)
ANP  A 501 (-4.4A)
ANP  A 501 ( 3.7A)
ANP  A 501 (-2.5A)
ANP  A 501 ( 4.2A)
ANP  A 501 ( 2.6A)
MG  A 502 ( 3.1A)
0.91A 2fumC-6ao5A:
10.8
2fumC-6ao5A:
22.77
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_D_MIXD3539_1
(PROBABLE
SERINE/THREONINE-PRO
TEIN KINASE PKNB)
6ao5 SERINE/THREONINE-PRO
TEIN KINASE 3

(Homo
sapiens)
7 / 12 LEU A  33
VAL A  41
ALA A  54
MET A  99
LYS A 148
ASN A 151
ASP A 164
ANP  A 501 ( 3.8A)
ANP  A 501 (-4.4A)
ANP  A 501 ( 3.7A)
ANP  A 501 (-2.5A)
ANP  A 501 (-3.1A)
ANP  A 501 ( 2.6A)
MG  A 502 ( 3.1A)
1.03A 2fumD-6ao5A:
10.8
2fumD-6ao5A:
22.77
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.
2GQG_A_1N1A501_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)
6ao5 SERINE/THREONINE-PRO
TEIN KINASE 3

(Homo
sapiens)
7 / 12 ALA A  54
LYS A  56
VAL A  83
ILE A  97
GLY A 105
LEU A 153
ALA A 163
ANP  A 501 ( 3.7A)
ANP  A 501 (-2.4A)
None
None
ANP  A 501 ( 4.0A)
ANP  A 501 (-4.6A)
None
0.76A 2gqgA-6ao5A:
22.6
2gqgA-6ao5A:
23.82
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.
2GQG_A_1N1A501_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)
6ao5 SERINE/THREONINE-PRO
TEIN KINASE 3

(Homo
sapiens)
7 / 12 LEU A  33
ALA A  54
VAL A  83
ILE A  97
GLY A 105
LEU A 153
ALA A 163
ANP  A 501 ( 3.8A)
ANP  A 501 ( 3.7A)
None
None
ANP  A 501 ( 4.0A)
ANP  A 501 (-4.6A)
None
0.53A 2gqgA-6ao5A:
22.6
2gqgA-6ao5A:
23.82
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.
2GQG_B_1N1B502_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)
6ao5 SERINE/THREONINE-PRO
TEIN KINASE 3

(Homo
sapiens)
8 / 12 LEU A  33
VAL A  41
ALA A  54
VAL A  83
ILE A  97
GLY A 105
LEU A 153
ALA A 163
ANP  A 501 ( 3.8A)
ANP  A 501 (-4.4A)
ANP  A 501 ( 3.7A)
None
None
ANP  A 501 ( 4.0A)
ANP  A 501 (-4.6A)
None
0.53A 2gqgB-6ao5A:
22.3
2gqgB-6ao5A:
23.82
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.
2OTF_A_2TNA201_1
(PHOSPHOLIPASE A2
VRV-PL-VIIIA)
6ao5 SERINE/THREONINE-PRO
TEIN KINASE 3

(Homo
sapiens)
4 / 5 LEU A 207
ILE A 152
GLY A 133
HIS A 138
None
0.97A 2otfA-6ao5A:
undetectable
2otfA-6ao5A:
16.67
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.
2V0M_B_KLNB1498_1
(CYTOCHROME P450 3A4)
6ao5 SERINE/THREONINE-PRO
TEIN KINASE 3

(Homo
sapiens)
5 / 9 ARG A 114
LEU A 127
ALA A 149
GLY A 158
LEU A 154
None
1.26A 2v0mB-6ao5A:
undetectable
2v0mB-6ao5A:
23.91
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.
2ZVA_A_1N1A513_1
(TYROSINE-PROTEIN
KINASE LYN)
6ao5 SERINE/THREONINE-PRO
TEIN KINASE 3

(Homo
sapiens)
7 / 12 ALA A  54
LYS A  56
VAL A  83
ILE A  97
GLY A 105
LEU A 153
ALA A 163
ANP  A 501 ( 3.7A)
ANP  A 501 (-2.4A)
None
None
ANP  A 501 ( 4.0A)
ANP  A 501 (-4.6A)
None
0.79A 2zvaA-6ao5A:
23.3
2zvaA-6ao5A:
22.93
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.
2ZVA_A_1N1A513_1
(TYROSINE-PROTEIN
KINASE LYN)
6ao5 SERINE/THREONINE-PRO
TEIN KINASE 3

(Homo
sapiens)
7 / 12 LEU A  33
ALA A  54
VAL A  83
ILE A  97
GLY A 105
LEU A 153
ALA A 163
ANP  A 501 ( 3.8A)
ANP  A 501 ( 3.7A)
None
None
ANP  A 501 ( 4.0A)
ANP  A 501 (-4.6A)
None
0.51A 2zvaA-6ao5A:
23.3
2zvaA-6ao5A:
22.93
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.
3AG4_C_CHDC271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 3)
6ao5 SERINE/THREONINE-PRO
TEIN KINASE 3
PROTEIN SALVADOR
HOMOLOG 1

(Homo
sapiens;
Homo
sapiens)
4 / 8 LEU A 466
GLN A 468
PHE B 343
LEU B 347
None
0.77A 3ag4C-6ao5A:
undetectable
3ag4J-6ao5A:
undetectable
3ag4C-6ao5A:
17.12
3ag4J-6ao5A:
9.57
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.
3AOX_A_EMHA901_1
(ALK TYROSINE KINASE
RECEPTOR)
6ao5 SERINE/THREONINE-PRO
TEIN KINASE 3

(Homo
sapiens)
6 / 10 LEU A  33
ALA A  54
LYS A  56
VAL A  83
GLY A 105
LEU A 153
ANP  A 501 ( 3.8A)
ANP  A 501 ( 3.7A)
ANP  A 501 (-2.4A)
None
ANP  A 501 ( 4.0A)
ANP  A 501 (-4.6A)
0.83A 3aoxA-6ao5A:
7.7
3aoxA-6ao5A:
24.04
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.
3BBT_B_FMMB91_1
(RECEPTOR
TYROSINE-PROTEIN
KINASE ERBB-4)
6ao5 SERINE/THREONINE-PRO
TEIN KINASE 3

(Homo
sapiens)
7 / 12 VAL A  41
ALA A  54
MET A  74
GLY A 105
LEU A 153
ASP A 164
PHE A 165
ANP  A 501 (-4.4A)
ANP  A 501 ( 3.7A)
None
ANP  A 501 ( 4.0A)
ANP  A 501 (-4.6A)
MG  A 502 ( 3.1A)
None
0.60A 3bbtB-6ao5A:
23.6
3bbtB-6ao5A:
26.23
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.
3BBT_D_FMMD91_1
(RECEPTOR
TYROSINE-PROTEIN
KINASE ERBB-4)
6ao5 SERINE/THREONINE-PRO
TEIN KINASE 3

(Homo
sapiens)
7 / 12 VAL A  41
ALA A  54
LYS A  56
GLY A 105
LEU A 153
ASP A 164
PHE A 165
ANP  A 501 (-4.4A)
ANP  A 501 ( 3.7A)
ANP  A 501 (-2.4A)
ANP  A 501 ( 4.0A)
ANP  A 501 (-4.6A)
MG  A 502 ( 3.1A)
None
0.55A 3bbtD-6ao5A:
24.0
3bbtD-6ao5A:
26.23
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.
3CS9_A_NILA600_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)
6ao5 SERINE/THREONINE-PRO
TEIN KINASE 3

(Homo
sapiens)
5 / 10 LEU A  33
VAL A  41
LYS A  56
VAL A  83
ILE A  97
ANP  A 501 ( 3.8A)
ANP  A 501 (-4.4A)
ANP  A 501 (-2.4A)
None
None
0.81A 3cs9A-6ao5A:
22.2
3cs9A-6ao5A:
23.88
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.
3CS9_B_NILB600_2
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)
6ao5 SERINE/THREONINE-PRO
TEIN KINASE 3

(Homo
sapiens)
5 / 9 LEU A  33
VAL A  41
LYS A  56
VAL A  83
ILE A  97
ANP  A 501 ( 3.8A)
ANP  A 501 (-4.4A)
ANP  A 501 (-2.4A)
None
None
0.80A 3cs9B-6ao5A:
22.6
3cs9B-6ao5A:
23.88
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.
3CS9_B_NILB600_2
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)
6ao5 SERINE/THREONINE-PRO
TEIN KINASE 3

(Homo
sapiens)
5 / 9 LEU A  33
VAL A  41
VAL A  83
ILE A  97
LEU A 153
ANP  A 501 ( 3.8A)
ANP  A 501 (-4.4A)
None
None
ANP  A 501 (-4.6A)
0.82A 3cs9B-6ao5A:
22.6
3cs9B-6ao5A:
23.88
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.
3CS9_C_NILC600_2
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)
6ao5 SERINE/THREONINE-PRO
TEIN KINASE 3

(Homo
sapiens)
5 / 9 LEU A  33
VAL A  41
LYS A  56
VAL A  83
ILE A  97
ANP  A 501 ( 3.8A)
ANP  A 501 (-4.4A)
ANP  A 501 (-2.4A)
None
None
0.77A 3cs9C-6ao5A:
22.2
3cs9C-6ao5A:
23.88
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.
3FUP_A_MI1A1_1
(TYROSINE-PROTEIN
KINASE JAK2)
6ao5 SERINE/THREONINE-PRO
TEIN KINASE 3

(Homo
sapiens)
8 / 12 LEU A  33
GLY A  34
GLY A  39
VAL A  41
ALA A  54
LYS A  56
MET A  99
TYR A 101
ANP  A 501 ( 3.8A)
ANP  A 501 ( 3.9A)
None
ANP  A 501 (-4.4A)
ANP  A 501 ( 3.7A)
ANP  A 501 (-2.4A)
ANP  A 501 (-2.5A)
ANP  A 501 ( 4.2A)
0.80A 3fupA-6ao5A:
21.9
3fupA-6ao5A:
28.34
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.
3G0E_A_B49A9000_1
(MAST/STEM CELL
GROWTH FACTOR
RECEPTOR)
6ao5 SERINE/THREONINE-PRO
TEIN KINASE 3

(Homo
sapiens)
8 / 11 LEU A  33
VAL A  41
ALA A  54
VAL A  83
TYR A 101
CYH A 102
GLY A 105
LEU A 153
ANP  A 501 ( 3.8A)
ANP  A 501 (-4.4A)
ANP  A 501 ( 3.7A)
None
ANP  A 501 ( 4.2A)
ANP  A 501 (-4.2A)
ANP  A 501 ( 4.0A)
ANP  A 501 (-4.6A)
0.79A 3g0eA-6ao5A:
20.3
3g0eA-6ao5A:
23.94
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.
3G0F_A_B49A9001_1
(MAST/STEM CELL
GROWTH FACTOR
RECEPTOR)
6ao5 SERINE/THREONINE-PRO
TEIN KINASE 3

(Homo
sapiens)
7 / 11 LEU A  33
VAL A  41
ALA A  54
TYR A 101
CYH A 102
GLY A 105
LEU A 153
ANP  A 501 ( 3.8A)
ANP  A 501 (-4.4A)
ANP  A 501 ( 3.7A)
ANP  A 501 ( 4.2A)
ANP  A 501 (-4.2A)
ANP  A 501 ( 4.0A)
ANP  A 501 (-4.6A)
0.75A 3g0fA-6ao5A:
20.9
3g0fA-6ao5A:
23.40
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.
3G0F_B_B49B9001_1
(MAST/STEM CELL
GROWTH FACTOR
RECEPTOR)
6ao5 SERINE/THREONINE-PRO
TEIN KINASE 3

(Homo
sapiens)
7 / 10 LEU A  33
VAL A  41
ALA A  54
TYR A 101
CYH A 102
GLY A 105
LEU A 153
ANP  A 501 ( 3.8A)
ANP  A 501 (-4.4A)
ANP  A 501 ( 3.7A)
ANP  A 501 ( 4.2A)
ANP  A 501 (-4.2A)
ANP  A 501 ( 4.0A)
ANP  A 501 (-4.6A)
0.64A 3g0fB-6ao5A:
21.5
3g0fB-6ao5A:
23.40
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.
3G5D_A_1N1A1_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)
6ao5 SERINE/THREONINE-PRO
TEIN KINASE 3

(Homo
sapiens)
9 / 12 LEU A  33
VAL A  41
ALA A  54
VAL A  83
ILE A  97
TYR A 101
GLY A 105
LEU A 153
ALA A 163
ANP  A 501 ( 3.8A)
ANP  A 501 (-4.4A)
ANP  A 501 ( 3.7A)
None
None
ANP  A 501 ( 4.2A)
ANP  A 501 ( 4.0A)
ANP  A 501 (-4.6A)
None
0.59A 3g5dA-6ao5A:
23.3
3g5dA-6ao5A:
23.72
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.
3G5D_B_1N1B1_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)
6ao5 SERINE/THREONINE-PRO
TEIN KINASE 3

(Homo
sapiens)
8 / 12 LEU A  33
VAL A  41
ALA A  54
VAL A  83
TYR A 101
GLY A 105
LEU A 153
ALA A 163
ANP  A 501 ( 3.8A)
ANP  A 501 (-4.4A)
ANP  A 501 ( 3.7A)
None
ANP  A 501 ( 4.2A)
ANP  A 501 ( 4.0A)
ANP  A 501 (-4.6A)
None
0.63A 3g5dB-6ao5A:
23.2
3g5dB-6ao5A:
23.72
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.
3G5D_B_1N1B1_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)
6ao5 SERINE/THREONINE-PRO
TEIN KINASE 3

(Homo
sapiens)
8 / 12 VAL A  41
ALA A  54
LYS A  56
VAL A  83
TYR A 101
GLY A 105
LEU A 153
ALA A 163
ANP  A 501 (-4.4A)
ANP  A 501 ( 3.7A)
ANP  A 501 (-2.4A)
None
ANP  A 501 ( 4.2A)
ANP  A 501 ( 4.0A)
ANP  A 501 (-4.6A)
None
0.79A 3g5dB-6ao5A:
23.2
3g5dB-6ao5A:
23.72
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.
3GVU_A_STIA1001_1
(TYROSINE-PROTEIN
KINASE ABL2)
6ao5 SERINE/THREONINE-PRO
TEIN KINASE 3

(Homo
sapiens)
6 / 12 LEU A  33
VAL A  41
ALA A  54
VAL A  83
LEU A 153
ALA A 163
ANP  A 501 ( 3.8A)
ANP  A 501 (-4.4A)
ANP  A 501 ( 3.7A)
None
ANP  A 501 (-4.6A)
None
0.75A 3gvuA-6ao5A:
22.2
3gvuA-6ao5A:
22.53
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.
3H5G_B_LEIB16_0
(COIL SER L16D-PEN)
6ao5 SERINE/THREONINE-PRO
TEIN KINASE 3
PROTEIN SALVADOR
HOMOLOG 1

(Homo
sapiens;
Homo
sapiens)
4 / 5 LEU A 466
GLN B 349
LEU B 347
GLU B 346
None
0.68A 3h5gA-6ao5A:
undetectable
3h5gB-6ao5A:
undetectable
3h5gA-6ao5A:
6.35
3h5gB-6ao5A:
6.35
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.
3IK3_A_0LIA1_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)
6ao5 SERINE/THREONINE-PRO
TEIN KINASE 3

(Homo
sapiens)
5 / 12 ALA A  54
VAL A  83
HIS A 144
LEU A 153
ALA A 163
ANP  A 501 ( 3.7A)
None
None
ANP  A 501 (-4.6A)
None
0.67A 3ik3A-6ao5A:
22.2
3ik3A-6ao5A:
23.60
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.
3IK3_B_0LIB2_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)
6ao5 SERINE/THREONINE-PRO
TEIN KINASE 3

(Homo
sapiens)
5 / 12 ALA A  54
VAL A  83
HIS A 144
LEU A 153
ALA A 163
ANP  A 501 ( 3.7A)
None
None
ANP  A 501 (-4.6A)
None
0.72A 3ik3B-6ao5A:
21.9
3ik3B-6ao5A:
23.60
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.
3K54_A_1N1A1_1
(TYROSINE-PROTEIN
KINASE BTK)
6ao5 SERINE/THREONINE-PRO
TEIN KINASE 3

(Homo
sapiens)
8 / 12 LEU A  33
ALA A  54
LYS A  56
VAL A  83
ILE A  97
TYR A 101
GLY A 105
LEU A 153
ANP  A 501 ( 3.8A)
ANP  A 501 ( 3.7A)
ANP  A 501 (-2.4A)
None
None
ANP  A 501 ( 4.2A)
ANP  A 501 ( 4.0A)
ANP  A 501 (-4.6A)
0.65A 3k54A-6ao5A:
23.1
3k54A-6ao5A:
23.54
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.
3MSS_D_STID1_2
(TYROSINE-PROTEIN
KINASE ABL1)
6ao5 SERINE/THREONINE-PRO
TEIN KINASE 3

(Homo
sapiens)
4 / 6 VAL A  41
LYS A  56
VAL A  83
ILE A  97
ANP  A 501 (-4.4A)
ANP  A 501 (-2.4A)
None
None
0.84A 3mssD-6ao5A:
22.1
3mssD-6ao5A:
23.82
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.
3OCT_A_1N1A663_1
(TYROSINE-PROTEIN
KINASE BTK)
6ao5 SERINE/THREONINE-PRO
TEIN KINASE 3

(Homo
sapiens)
8 / 12 LEU A  33
VAL A  41
ALA A  54
LYS A  56
VAL A  83
TYR A 101
GLY A 105
LEU A 153
ANP  A 501 ( 3.8A)
ANP  A 501 (-4.4A)
ANP  A 501 ( 3.7A)
ANP  A 501 (-2.4A)
None
ANP  A 501 ( 4.2A)
ANP  A 501 ( 4.0A)
ANP  A 501 (-4.6A)
0.70A 3octA-6ao5A:
22.8
3octA-6ao5A:
24.59
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.
3OEZ_A_STIA601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)
6ao5 SERINE/THREONINE-PRO
TEIN KINASE 3

(Homo
sapiens)
7 / 12 VAL A  41
ALA A  54
VAL A  83
TYR A 101
GLY A 105
LEU A 153
ALA A 163
ANP  A 501 (-4.4A)
ANP  A 501 ( 3.7A)
None
ANP  A 501 ( 4.2A)
ANP  A 501 ( 4.0A)
ANP  A 501 (-4.6A)
None
0.79A 3oezA-6ao5A:
22.6
3oezA-6ao5A:
24.23
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.
3OEZ_B_STIB601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)
6ao5 SERINE/THREONINE-PRO
TEIN KINASE 3

(Homo
sapiens)
7 / 12 VAL A  41
ALA A  54
LYS A  56
ILE A  97
TYR A 101
LEU A 153
ALA A 163
ANP  A 501 (-4.4A)
ANP  A 501 ( 3.7A)
ANP  A 501 (-2.4A)
None
ANP  A 501 ( 4.2A)
ANP  A 501 (-4.6A)
None
0.64A 3oezB-6ao5A:
22.9
3oezB-6ao5A:
24.23
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.
3OG7_A_032A1_1
(AKAP9-BRAF FUSION
PROTEIN)
6ao5 SERINE/THREONINE-PRO
TEIN KINASE 3

(Homo
sapiens)
5 / 12 VAL A  41
ALA A  54
CYH A 102
PHE A 165
GLY A 166
ANP  A 501 (-4.4A)
ANP  A 501 ( 3.7A)
ANP  A 501 (-4.2A)
None
None
0.69A 3og7A-6ao5A:
24.5
3og7A-6ao5A:
24.62
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.
3OZV_B_ECNB411_1
(FLAVOHEMOGLOBIN)
6ao5 SERINE/THREONINE-PRO
TEIN KINASE 3

(Homo
sapiens)
5 / 9 ILE A 110
ILE A 111
ALA A 215
LEU A 118
ALA A 294
None
1.06A 3ozvB-6ao5A:
undetectable
3ozvB-6ao5A:
22.56
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.
3PYY_B_STIB4_1
(V-ABL ABELSON MURINE
LEUKEMIA VIRAL
ONCOGENE HOMOLOG 1
ISOFORM B VARIANT)
6ao5 SERINE/THREONINE-PRO
TEIN KINASE 3

(Homo
sapiens)
6 / 12 LEU A  33
VAL A  41
ALA A  54
VAL A  83
LEU A 153
ALA A 163
ANP  A 501 ( 3.8A)
ANP  A 501 (-4.4A)
ANP  A 501 ( 3.7A)
None
ANP  A 501 (-4.6A)
None
0.74A 3pyyB-6ao5A:
22.4
3pyyB-6ao5A:
22.94
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.
3QLG_A_1N1A601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)
6ao5 SERINE/THREONINE-PRO
TEIN KINASE 3

(Homo
sapiens)
8 / 12 LEU A  33
VAL A  41
ALA A  54
VAL A  83
TYR A 101
GLY A 105
LEU A 153
ALA A 163
ANP  A 501 ( 3.8A)
ANP  A 501 (-4.4A)
ANP  A 501 ( 3.7A)
None
ANP  A 501 ( 4.2A)
ANP  A 501 ( 4.0A)
ANP  A 501 (-4.6A)
None
0.67A 3qlgA-6ao5A:
23.1
3qlgA-6ao5A:
24.23
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.
3QLG_B_1N1B601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)
6ao5 SERINE/THREONINE-PRO
TEIN KINASE 3

(Homo
sapiens)
9 / 12 LEU A  33
VAL A  41
ALA A  54
VAL A  83
TYR A 101
GLY A 105
LEU A 153
ALA A 163
ASP A 164
ANP  A 501 ( 3.8A)
ANP  A 501 (-4.4A)
ANP  A 501 ( 3.7A)
None
ANP  A 501 ( 4.2A)
ANP  A 501 ( 4.0A)
ANP  A 501 (-4.6A)
None
MG  A 502 ( 3.1A)
0.60A 3qlgB-6ao5A:
23.4
3qlgB-6ao5A:
24.23
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.
3RF4_A_FUNA201_1
(MACROPHAGE MIGRATION
INHIBITORY FACTOR)
6ao5 SERINE/THREONINE-PRO
TEIN KINASE 3

(Homo
sapiens)
5 / 11 SER A 129
ILE A 126
VAL A 107
HIS A 144
ILE A 147
None
1.32A 3rf4A-6ao5A:
undetectable
3rf4C-6ao5A:
undetectable
3rf4A-6ao5A:
16.14
3rf4C-6ao5A:
16.14
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.
3RF4_B_FUNB202_1
(MACROPHAGE MIGRATION
INHIBITORY FACTOR)
6ao5 SERINE/THREONINE-PRO
TEIN KINASE 3

(Homo
sapiens)
5 / 11 HIS A 144
ILE A 147
SER A 129
ILE A 126
VAL A 107
None
1.35A 3rf4A-6ao5A:
undetectable
3rf4B-6ao5A:
undetectable
3rf4A-6ao5A:
16.14
3rf4B-6ao5A:
16.14
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.
3RF4_C_FUNC203_1
(MACROPHAGE MIGRATION
INHIBITORY FACTOR)
6ao5 SERINE/THREONINE-PRO
TEIN KINASE 3

(Homo
sapiens)
5 / 11 HIS A 144
ILE A 147
SER A 129
ILE A 126
VAL A 107
None
1.36A 3rf4B-6ao5A:
undetectable
3rf4C-6ao5A:
undetectable
3rf4B-6ao5A:
16.14
3rf4C-6ao5A:
16.14
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.
3SXR_A_1N1A1_1
(CYTOPLASMIC
TYROSINE-PROTEIN
KINASE BMX)
6ao5 SERINE/THREONINE-PRO
TEIN KINASE 3

(Homo
sapiens)
8 / 12 LEU A  33
VAL A  41
ALA A  54
VAL A  83
ILE A  97
TYR A 101
GLY A 105
LEU A 153
ANP  A 501 ( 3.8A)
ANP  A 501 (-4.4A)
ANP  A 501 ( 3.7A)
None
None
ANP  A 501 ( 4.2A)
ANP  A 501 ( 4.0A)
ANP  A 501 (-4.6A)
0.56A 3sxrA-6ao5A:
23.0
3sxrA-6ao5A:
24.59
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.
3SXR_B_1N1B2_1
(CYTOPLASMIC
TYROSINE-PROTEIN
KINASE BMX)
6ao5 SERINE/THREONINE-PRO
TEIN KINASE 3

(Homo
sapiens)
7 / 12 LEU A  33
VAL A  41
ALA A  54
VAL A  83
TYR A 101
GLY A 105
LEU A 153
ANP  A 501 ( 3.8A)
ANP  A 501 (-4.4A)
ANP  A 501 ( 3.7A)
None
ANP  A 501 ( 4.2A)
ANP  A 501 ( 4.0A)
ANP  A 501 (-4.6A)
0.60A 3sxrB-6ao5A:
22.8
3sxrB-6ao5A:
24.59
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.
3UE4_A_DB8A601_1
(TYROSINE-PROTEIN
KINASE ABL1)
6ao5 SERINE/THREONINE-PRO
TEIN KINASE 3

(Homo
sapiens)
7 / 12 LEU A  33
ALA A  54
LYS A  56
VAL A  83
ILE A  97
GLY A 105
LEU A 153
ANP  A 501 ( 3.8A)
ANP  A 501 ( 3.7A)
ANP  A 501 (-2.4A)
None
None
ANP  A 501 ( 4.0A)
ANP  A 501 (-4.6A)
0.58A 3ue4A-6ao5A:
22.2
3ue4A-6ao5A:
23.61
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.
3UE4_B_DB8B601_1
(TYROSINE-PROTEIN
KINASE ABL1)
6ao5 SERINE/THREONINE-PRO
TEIN KINASE 3

(Homo
sapiens)
7 / 12 LEU A  33
VAL A  41
ALA A  54
VAL A  83
ILE A  97
GLY A 105
LEU A 153
ANP  A 501 ( 3.8A)
ANP  A 501 (-4.4A)
ANP  A 501 ( 3.7A)
None
None
ANP  A 501 ( 4.0A)
ANP  A 501 (-4.6A)
0.55A 3ue4B-6ao5A:
22.3
3ue4B-6ao5A:
23.61
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.
3WZD_A_LEVA1201_1
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)
6ao5 SERINE/THREONINE-PRO
TEIN KINASE 3

(Homo
sapiens)
6 / 12 LEU A  33
VAL A  41
ALA A  54
CYH A 102
GLY A 105
PHE A 165
ANP  A 501 ( 3.8A)
ANP  A 501 (-4.4A)
ANP  A 501 ( 3.7A)
ANP  A 501 (-4.2A)
ANP  A 501 ( 4.0A)
None
0.63A 3wzdA-6ao5A:
22.2
3wzdA-6ao5A:
23.50
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)
6ao5 SERINE/THREONINE-PRO
TEIN KINASE 3

(Homo
sapiens)
4 / 8 VAL A  82
VAL A  83
CYH A 102
LEU A 153
None
None
ANP  A 501 (-4.2A)
ANP  A 501 (-4.6A)
0.59A 3wzeA-6ao5A:
21.5
3wzeA-6ao5A:
23.50
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.
3ZOS_A_0LIA1000_1
(EPITHELIAL DISCOIDIN
DOMAIN-CONTAINING
RECEPTOR 1)
6ao5 SERINE/THREONINE-PRO
TEIN KINASE 3

(Homo
sapiens)
7 / 12 LEU A  33
ALA A  54
LEU A 137
HIS A 144
ARG A 145
LEU A 153
ALA A 163
ANP  A 501 ( 3.8A)
ANP  A 501 ( 3.7A)
None
None
None
ANP  A 501 (-4.6A)
None
0.74A 3zosA-6ao5A:
20.9
3zosA-6ao5A:
22.64
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.
4AGD_A_B49A2000_1
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)
6ao5 SERINE/THREONINE-PRO
TEIN KINASE 3

(Homo
sapiens)
6 / 11 LEU A  33
ALA A  54
VAL A  83
CYH A 102
GLY A 105
LEU A 153
ANP  A 501 ( 3.8A)
ANP  A 501 ( 3.7A)
None
ANP  A 501 (-4.2A)
ANP  A 501 ( 4.0A)
ANP  A 501 (-4.6A)
0.56A 4agdA-6ao5A:
21.0
4agdA-6ao5A:
22.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4AN2_A_EUIA1382_1
(DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 1)
6ao5 SERINE/THREONINE-PRO
TEIN KINASE 3

(Homo
sapiens)
6 / 12 LYS A  56
ILE A  97
MET A  99
LYS A 148
ASN A 151
ASP A 164
ANP  A 501 (-2.4A)
None
ANP  A 501 (-2.5A)
ANP  A 501 (-3.1A)
ANP  A 501 ( 2.6A)
MG  A 502 ( 3.1A)
0.60A 4an2A-6ao5A:
29.2
4an2A-6ao5A:
33.69
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.
4ANQ_A_VGHA9000_1
(ALK TYROSINE KINASE
RECEPTOR)
6ao5 SERINE/THREONINE-PRO
TEIN KINASE 3

(Homo
sapiens)
6 / 9 LEU A  33
VAL A  41
ALA A  54
GLY A 105
LEU A 153
ALA A 163
ANP  A 501 ( 3.8A)
ANP  A 501 (-4.4A)
ANP  A 501 ( 3.7A)
ANP  A 501 ( 4.0A)
ANP  A 501 (-4.6A)
None
0.52A 4anqA-6ao5A:
22.5
4anqA-6ao5A:
23.88
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.
4ANS_A_VGHA9000_1
(ALK TYROSINE KINASE
RECEPTOR)
6ao5 SERINE/THREONINE-PRO
TEIN KINASE 3

(Homo
sapiens)
7 / 9 LEU A  33
VAL A  41
ALA A  54
MET A  99
GLY A 105
LEU A 153
ALA A 163
ANP  A 501 ( 3.8A)
ANP  A 501 (-4.4A)
ANP  A 501 ( 3.7A)
ANP  A 501 (-2.5A)
ANP  A 501 ( 4.0A)
ANP  A 501 (-4.6A)
None
0.62A 4ansA-6ao5A:
22.4
4ansA-6ao5A:
24.11
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.
4CKJ_A_ADNA2014_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE RECEPTOR RET)
6ao5 SERINE/THREONINE-PRO
TEIN KINASE 3

(Homo
sapiens)
7 / 10 LEU A  33
GLY A  34
GLY A  36
VAL A  41
ALA A  54
TYR A 101
LEU A 153
ANP  A 501 ( 3.8A)
ANP  A 501 ( 3.9A)
None
ANP  A 501 (-4.4A)
ANP  A 501 ( 3.7A)
ANP  A 501 ( 4.2A)
ANP  A 501 (-4.6A)
0.94A 4ckjA-6ao5A:
22.4
4ckjA-6ao5A:
25.93
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.
4GC9_A_ACTA402_0
(DIMETHYLADENOSINE
TRANSFERASE 1,
MITOCHONDRIAL)
6ao5 SERINE/THREONINE-PRO
TEIN KINASE 3

(Homo
sapiens)
3 / 3 LYS A 473
TYR A 470
ARG A 469
None
1.21A 4gc9A-6ao5A:
undetectable
4gc9A-6ao5A:
22.20
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.
4HJO_A_AQ4A1001_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
6ao5 SERINE/THREONINE-PRO
TEIN KINASE 3

(Homo
sapiens)
7 / 12 LEU A  33
VAL A  41
ALA A  54
LYS A  56
GLY A 105
LEU A 153
ASP A 164
ANP  A 501 ( 3.8A)
ANP  A 501 (-4.4A)
ANP  A 501 ( 3.7A)
ANP  A 501 (-2.4A)
ANP  A 501 ( 4.0A)
ANP  A 501 (-4.6A)
MG  A 502 ( 3.1A)
0.57A 4hjoA-6ao5A:
24.5
4hjoA-6ao5A:
27.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4LMN_A_EUIA503_1
(DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 1)
6ao5 SERINE/THREONINE-PRO
TEIN KINASE 3

(Homo
sapiens)
6 / 12 LYS A  56
ILE A  97
MET A  99
ASN A 151
ASP A 164
PHE A 165
ANP  A 501 (-2.4A)
None
ANP  A 501 (-2.5A)
ANP  A 501 ( 2.6A)
MG  A 502 ( 3.1A)
None
0.59A 4lmnA-6ao5A:
28.3
4lmnA-6ao5A:
30.68
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.
4MXO_A_DB8A601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)
6ao5 SERINE/THREONINE-PRO
TEIN KINASE 3

(Homo
sapiens)
7 / 12 LEU A  33
VAL A  41
ALA A  54
VAL A  83
ILE A  97
TYR A 101
GLY A 105
ANP  A 501 ( 3.8A)
ANP  A 501 (-4.4A)
ANP  A 501 ( 3.7A)
None
None
ANP  A 501 ( 4.2A)
ANP  A 501 ( 4.0A)
0.47A 4mxoA-6ao5A:
22.7
4mxoA-6ao5A:
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.
4MXO_A_DB8A601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)
6ao5 SERINE/THREONINE-PRO
TEIN KINASE 3

(Homo
sapiens)
7 / 12 VAL A  41
ALA A  54
LYS A  56
VAL A  83
ILE A  97
TYR A 101
GLY A 105
ANP  A 501 (-4.4A)
ANP  A 501 ( 3.7A)
ANP  A 501 (-2.4A)
None
None
ANP  A 501 ( 4.2A)
ANP  A 501 ( 4.0A)
0.56A 4mxoA-6ao5A:
22.7
4mxoA-6ao5A:
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.
4MXO_B_DB8B601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)
6ao5 SERINE/THREONINE-PRO
TEIN KINASE 3

(Homo
sapiens)
8 / 12 LEU A  33
VAL A  41
ALA A  54
VAL A  83
ILE A  97
TYR A 101
GLY A 105
LEU A 153
ANP  A 501 ( 3.8A)
ANP  A 501 (-4.4A)
ANP  A 501 ( 3.7A)
None
None
ANP  A 501 ( 4.2A)
ANP  A 501 ( 4.0A)
ANP  A 501 (-4.6A)
0.49A 4mxoB-6ao5A:
22.8
4mxoB-6ao5A:
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.
4MXO_B_DB8B601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)
6ao5 SERINE/THREONINE-PRO
TEIN KINASE 3

(Homo
sapiens)
8 / 12 VAL A  41
ALA A  54
LYS A  56
VAL A  83
ILE A  97
TYR A 101
GLY A 105
LEU A 153
ANP  A 501 (-4.4A)
ANP  A 501 ( 3.7A)
ANP  A 501 (-2.4A)
None
None
ANP  A 501 ( 4.2A)
ANP  A 501 ( 4.0A)
ANP  A 501 (-4.6A)
0.60A 4mxoB-6ao5A:
22.8
4mxoB-6ao5A:
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.
4MXX_A_DB8A601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)
6ao5 SERINE/THREONINE-PRO
TEIN KINASE 3

(Homo
sapiens)
7 / 12 ALA A  54
LYS A  56
VAL A  83
ILE A  97
TYR A 101
GLY A 105
LEU A 153
ANP  A 501 ( 3.7A)
ANP  A 501 (-2.4A)
None
None
ANP  A 501 ( 4.2A)
ANP  A 501 ( 4.0A)
ANP  A 501 (-4.6A)
0.53A 4mxxA-6ao5A:
22.7
4mxxA-6ao5A:
24.94
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.
4MXX_A_DB8A601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)
6ao5 SERINE/THREONINE-PRO
TEIN KINASE 3

(Homo
sapiens)
7 / 12 LEU A  33
ALA A  54
LYS A  56
VAL A  83
TYR A 101
GLY A 105
LEU A 153
ANP  A 501 ( 3.8A)
ANP  A 501 ( 3.7A)
ANP  A 501 (-2.4A)
None
ANP  A 501 ( 4.2A)
ANP  A 501 ( 4.0A)
ANP  A 501 (-4.6A)
0.63A 4mxxA-6ao5A:
22.7
4mxxA-6ao5A:
24.94
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.
4MXX_B_DB8B601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)
6ao5 SERINE/THREONINE-PRO
TEIN KINASE 3

(Homo
sapiens)
8 / 12 LEU A  33
VAL A  41
ALA A  54
LYS A  56
VAL A  83
TYR A 101
GLY A 105
LEU A 153
ANP  A 501 ( 3.8A)
ANP  A 501 (-4.4A)
ANP  A 501 ( 3.7A)
ANP  A 501 (-2.4A)
None
ANP  A 501 ( 4.2A)
ANP  A 501 ( 4.0A)
ANP  A 501 (-4.6A)
0.62A 4mxxB-6ao5A:
22.5
4mxxB-6ao5A:
24.94
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.
4MXY_A_DB8A601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)
6ao5 SERINE/THREONINE-PRO
TEIN KINASE 3

(Homo
sapiens)
8 / 12 LEU A  33
VAL A  41
ALA A  54
VAL A  83
ILE A  97
TYR A 101
GLY A 105
LEU A 153
ANP  A 501 ( 3.8A)
ANP  A 501 (-4.4A)
ANP  A 501 ( 3.7A)
None
None
ANP  A 501 ( 4.2A)
ANP  A 501 ( 4.0A)
ANP  A 501 (-4.6A)
0.44A 4mxyA-6ao5A:
23.2
4mxyA-6ao5A:
25.45
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.
4MXY_B_DB8B601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)
6ao5 SERINE/THREONINE-PRO
TEIN KINASE 3

(Homo
sapiens)
8 / 12 LEU A  33
VAL A  41
ALA A  54
VAL A  83
TYR A 101
GLY A 105
LEU A 153
ALA A 163
ANP  A 501 ( 3.8A)
ANP  A 501 (-4.4A)
ANP  A 501 ( 3.7A)
None
ANP  A 501 ( 4.2A)
ANP  A 501 ( 4.0A)
ANP  A 501 (-4.6A)
None
0.52A 4mxyB-6ao5A:
22.7
4mxyB-6ao5A:
25.45
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.
4MXZ_A_DB8A601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)
6ao5 SERINE/THREONINE-PRO
TEIN KINASE 3

(Homo
sapiens)
8 / 12 LEU A  33
VAL A  41
ALA A  54
VAL A  83
ILE A  97
TYR A 101
GLY A 105
LEU A 153
ANP  A 501 ( 3.8A)
ANP  A 501 (-4.4A)
ANP  A 501 ( 3.7A)
None
None
ANP  A 501 ( 4.2A)
ANP  A 501 ( 4.0A)
ANP  A 501 (-4.6A)
0.44A 4mxzA-6ao5A:
23.2
4mxzA-6ao5A:
25.45
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.
4MXZ_B_DB8B601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)
6ao5 SERINE/THREONINE-PRO
TEIN KINASE 3

(Homo
sapiens)
8 / 12 LEU A  33
VAL A  41
ALA A  54
VAL A  83
TYR A 101
GLY A 105
LEU A 153
ALA A 163
ANP  A 501 ( 3.8A)
ANP  A 501 (-4.4A)
ANP  A 501 ( 3.7A)
None
ANP  A 501 ( 4.2A)
ANP  A 501 ( 4.0A)
ANP  A 501 (-4.6A)
None
0.52A 4mxzB-6ao5A:
22.7
4mxzB-6ao5A:
25.45
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.
4NPT_A_017A401_1
(PROTEASE)
6ao5 SERINE/THREONINE-PRO
TEIN KINASE 3

(Homo
sapiens)
5 / 9 ALA A 160
ILE A 123
ILE A 278
THR A 210
ILE A 147
None
1.14A 4nptA-6ao5A:
undetectable
4nptA-6ao5A:
14.33
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.
4O0S_A_ADNA500_1
(AURORA KINASE A)
6ao5 SERINE/THREONINE-PRO
TEIN KINASE 3

(Homo
sapiens)
8 / 11 LEU A  33
GLY A  34
VAL A  41
ALA A  54
LYS A  56
ASN A 151
LEU A 153
ASP A 164
ANP  A 501 ( 3.8A)
ANP  A 501 ( 3.9A)
ANP  A 501 (-4.4A)
ANP  A 501 ( 3.7A)
ANP  A 501 (-2.4A)
ANP  A 501 ( 2.6A)
ANP  A 501 (-4.6A)
MG  A 502 ( 3.1A)
1.18A 4o0sA-6ao5A:
14.4
4o0sA-6ao5A:
26.61
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.
4OTW_A_DB8A1101_1
(RECEPTOR
TYROSINE-PROTEIN
KINASE ERBB-3)
6ao5 SERINE/THREONINE-PRO
TEIN KINASE 3

(Homo
sapiens)
7 / 12 LEU A  33
VAL A  41
LYS A  56
TYR A 101
ALA A 163
ASP A 164
VAL A 167
ANP  A 501 ( 3.8A)
ANP  A 501 (-4.4A)
ANP  A 501 (-2.4A)
ANP  A 501 ( 4.2A)
None
MG  A 502 ( 3.1A)
None
0.83A 4otwA-6ao5A:
23.4
4otwA-6ao5A:
26.36
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.
4OTW_A_DB8A1101_1
(RECEPTOR
TYROSINE-PROTEIN
KINASE ERBB-3)
6ao5 SERINE/THREONINE-PRO
TEIN KINASE 3

(Homo
sapiens)
9 / 12 LEU A  33
VAL A  41
LYS A  56
VAL A  83
TYR A 101
GLY A 105
LEU A 153
ALA A 163
VAL A 167
ANP  A 501 ( 3.8A)
ANP  A 501 (-4.4A)
ANP  A 501 (-2.4A)
None
ANP  A 501 ( 4.2A)
ANP  A 501 ( 4.0A)
ANP  A 501 (-4.6A)
None
None
0.69A 4otwA-6ao5A:
23.4
4otwA-6ao5A:
26.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QMZ_A_B49A401_1
(SERINE/THREONINE-PRO
TEIN KINASE 24)
6ao5 SERINE/THREONINE-PRO
TEIN KINASE 3

(Homo
sapiens)
6 / 12 GLY A  34
VAL A  41
ALA A  54
TYR A 101
GLY A 103
LEU A 153
ANP  A 501 ( 3.9A)
ANP  A 501 (-4.4A)
ANP  A 501 ( 3.7A)
ANP  A 501 ( 4.2A)
ANP  A 501 ( 4.7A)
ANP  A 501 (-4.6A)
0.53A 4qmzA-6ao5A:
30.3
4qmzA-6ao5A:
49.55
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.
4RZV_A_032A801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)
6ao5 SERINE/THREONINE-PRO
TEIN KINASE 3

(Homo
sapiens)
5 / 12 ALA A  54
ILE A  97
SER A 106
PHE A 165
GLY A 166
ANP  A 501 ( 3.7A)
None
ANP  A 501 (-2.4A)
None
None
0.77A 4rzvA-6ao5A:
13.1
4rzvA-6ao5A:
25.06
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.
4RZV_B_032B801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)
6ao5 SERINE/THREONINE-PRO
TEIN KINASE 3

(Homo
sapiens)
6 / 12 VAL A  41
ALA A  54
CYH A 102
SER A 106
PHE A 165
GLY A 166
ANP  A 501 (-4.4A)
ANP  A 501 ( 3.7A)
ANP  A 501 (-4.2A)
ANP  A 501 (-2.4A)
None
None
0.78A 4rzvB-6ao5A:
24.1
4rzvB-6ao5A:
25.06
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.
4U5J_A_RXTA601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)
6ao5 SERINE/THREONINE-PRO
TEIN KINASE 3

(Homo
sapiens)
9 / 11 LEU A  33
GLY A  36
VAL A  41
ALA A  54
TYR A 101
GLY A 105
ASN A 151
LEU A 153
ALA A 163
ANP  A 501 ( 3.8A)
None
ANP  A 501 (-4.4A)
ANP  A 501 ( 3.7A)
ANP  A 501 ( 4.2A)
ANP  A 501 ( 4.0A)
ANP  A 501 ( 2.6A)
ANP  A 501 (-4.6A)
None
1.07A 4u5jA-6ao5A:
23.6
4u5jA-6ao5A:
23.98
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.
4U5J_B_RXTB601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)
6ao5 SERINE/THREONINE-PRO
TEIN KINASE 3

(Homo
sapiens)
6 / 9 LEU A  33
VAL A  41
ALA A  54
TYR A 101
GLY A 105
LEU A 153
ANP  A 501 ( 3.8A)
ANP  A 501 (-4.4A)
ANP  A 501 ( 3.7A)
ANP  A 501 ( 4.2A)
ANP  A 501 ( 4.0A)
ANP  A 501 (-4.6A)
0.43A 4u5jB-6ao5A:
23.5
4u5jB-6ao5A:
23.98
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.
4UXQ_A_0LIA1752_1
(FIBROBLAST GROWTH
FACTOR RECEPTOR 4)
6ao5 SERINE/THREONINE-PRO
TEIN KINASE 3

(Homo
sapiens)
6 / 12 LEU A  33
ALA A  54
LEU A 137
HIS A 144
LEU A 153
ALA A 163
ANP  A 501 ( 3.8A)
ANP  A 501 ( 3.7A)
None
None
ANP  A 501 (-4.6A)
None
0.59A 4uxqA-6ao5A:
22.1
4uxqA-6ao5A:
22.00
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.
4V04_A_0LIA1772_1
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1
(FMS-RELATED
TYROSINE KINASE 2,
PFEIFFER SYNDROME),
ISOFORM CRA_B)
6ao5 SERINE/THREONINE-PRO
TEIN KINASE 3

(Homo
sapiens)
6 / 12 VAL A  41
ALA A  54
LEU A 137
HIS A 144
ALA A 163
GLY A 166
ANP  A 501 (-4.4A)
ANP  A 501 ( 3.7A)
None
None
None
None
0.89A 4v04A-6ao5A:
22.0
4v04A-6ao5A:
24.81
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.
4V04_B_0LIB1771_2
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1
(FMS-RELATED
TYROSINE KINASE 2,
PFEIFFER SYNDROME),
ISOFORM CRA_B)
6ao5 SERINE/THREONINE-PRO
TEIN KINASE 3

(Homo
sapiens)
5 / 12 ALA A  54
LEU A 137
HIS A 144
ALA A 163
GLY A 166
ANP  A 501 ( 3.7A)
None
None
None
None
0.82A 4v04B-6ao5A:
22.1
4v04B-6ao5A:
24.81
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.
4XEY_B_1N1B601_1
(TYROSINE-PROTEIN
KINASE ABL1)
6ao5 SERINE/THREONINE-PRO
TEIN KINASE 3

(Homo
sapiens)
8 / 12 LEU A  33
VAL A  41
ALA A  54
LYS A  56
ILE A  97
GLY A 105
LEU A 153
ALA A 163
ANP  A 501 ( 3.8A)
ANP  A 501 (-4.4A)
ANP  A 501 ( 3.7A)
ANP  A 501 (-2.4A)
None
ANP  A 501 ( 4.0A)
ANP  A 501 (-4.6A)
None
0.65A 4xeyB-6ao5A:
22.2
4xeyB-6ao5A:
21.44
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.
4XEY_B_1N1B601_1
(TYROSINE-PROTEIN
KINASE ABL1)
6ao5 SERINE/THREONINE-PRO
TEIN KINASE 3

(Homo
sapiens)
8 / 12 LEU A  33
VAL A  41
ALA A  54
LYS A  56
VAL A  83
ILE A  97
GLY A 105
LEU A 153
ANP  A 501 ( 3.8A)
ANP  A 501 (-4.4A)
ANP  A 501 ( 3.7A)
ANP  A 501 (-2.4A)
None
None
ANP  A 501 ( 4.0A)
ANP  A 501 (-4.6A)
0.51A 4xeyB-6ao5A:
22.2
4xeyB-6ao5A:
21.44
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.
4XLI_A_1N1A601_1
(NON-SPECIFIC
PROTEIN-TYROSINE
KINASE)
6ao5 SERINE/THREONINE-PRO
TEIN KINASE 3

(Homo
sapiens)
7 / 12 LEU A  33
ALA A  54
VAL A  83
TYR A 101
GLY A 105
LEU A 153
ALA A 163
ANP  A 501 ( 3.8A)
ANP  A 501 ( 3.7A)
None
ANP  A 501 ( 4.2A)
ANP  A 501 ( 4.0A)
ANP  A 501 (-4.6A)
None
0.45A 4xliA-6ao5A:
22.4
4xliA-6ao5A:
23.40
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.
4XLI_B_1N1B600_1
(NON-SPECIFIC
PROTEIN-TYROSINE
KINASE)
6ao5 SERINE/THREONINE-PRO
TEIN KINASE 3

(Homo
sapiens)
8 / 12 LEU A  33
ALA A  54
VAL A  83
ILE A  97
TYR A 101
GLY A 105
LEU A 153
ALA A 163
ANP  A 501 ( 3.8A)
ANP  A 501 ( 3.7A)
None
None
ANP  A 501 ( 4.2A)
ANP  A 501 ( 4.0A)
ANP  A 501 (-4.6A)
None
0.49A 4xliB-6ao5A:
22.4
4xliB-6ao5A:
23.40
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.
5AAC_A_VGHA9000_1
(ALK TYROSINE KINASE
RECEPTOR)
6ao5 SERINE/THREONINE-PRO
TEIN KINASE 3

(Homo
sapiens)
6 / 10 LEU A  33
VAL A  41
ALA A  54
LYS A  56
GLY A 105
LEU A 153
ANP  A 501 ( 3.8A)
ANP  A 501 (-4.4A)
ANP  A 501 ( 3.7A)
ANP  A 501 (-2.4A)
ANP  A 501 ( 4.0A)
ANP  A 501 (-4.6A)
0.52A 5aacA-6ao5A:
22.5
5aacA-6ao5A:
22.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5AJQ_A_DB8A800_1
(SERINE/THREONINE-PRO
TEIN KINASE 10)
6ao5 SERINE/THREONINE-PRO
TEIN KINASE 3

(Homo
sapiens)
7 / 12 LEU A  33
ALA A  54
LYS A  56
CYH A 102
GLY A 105
LEU A 153
ALA A 163
ANP  A 501 ( 3.8A)
ANP  A 501 ( 3.7A)
ANP  A 501 (-2.4A)
ANP  A 501 (-4.2A)
ANP  A 501 ( 4.0A)
ANP  A 501 (-4.6A)
None
0.72A 5ajqA-6ao5A:
31.7
5ajqA-6ao5A:
36.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5AJQ_A_DB8A800_1
(SERINE/THREONINE-PRO
TEIN KINASE 10)
6ao5 SERINE/THREONINE-PRO
TEIN KINASE 3

(Homo
sapiens)
7 / 12 LEU A  33
GLY A  34
ALA A  54
CYH A 102
GLY A 105
LEU A 153
ALA A 163
ANP  A 501 ( 3.8A)
ANP  A 501 ( 3.9A)
ANP  A 501 ( 3.7A)
ANP  A 501 (-4.2A)
ANP  A 501 ( 4.0A)
ANP  A 501 (-4.6A)
None
0.61A 5ajqA-6ao5A:
31.7
5ajqA-6ao5A:
36.24
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.
5H2U_C_1N1C501_1
(PROTEIN-TYROSINE
KINASE 6)
6ao5 SERINE/THREONINE-PRO
TEIN KINASE 3

(Homo
sapiens)
5 / 12 ALA A  54
ILE A  97
GLY A 105
LEU A 153
ASP A 164
ANP  A 501 ( 3.7A)
None
ANP  A 501 ( 4.0A)
ANP  A 501 (-4.6A)
MG  A 502 ( 3.1A)
0.53A 5h2uC-6ao5A:
24.9
5h2uC-6ao5A:
21.86
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.
5H2U_C_1N1C501_1
(PROTEIN-TYROSINE
KINASE 6)
6ao5 SERINE/THREONINE-PRO
TEIN KINASE 3

(Homo
sapiens)
5 / 12 LEU A  33
ALA A  54
GLY A 105
LEU A 153
ASP A 164
ANP  A 501 ( 3.8A)
ANP  A 501 ( 3.7A)
ANP  A 501 ( 4.0A)
ANP  A 501 (-4.6A)
MG  A 502 ( 3.1A)
0.45A 5h2uC-6ao5A:
24.9
5h2uC-6ao5A:
21.86
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.
5H2U_D_1N1D504_1
(PROTEIN-TYROSINE
KINASE 6)
6ao5 SERINE/THREONINE-PRO
TEIN KINASE 3

(Homo
sapiens)
6 / 12 LEU A  33
VAL A  41
ALA A  54
ILE A  97
GLY A 105
LEU A 153
ANP  A 501 ( 3.8A)
ANP  A 501 (-4.4A)
ANP  A 501 ( 3.7A)
None
ANP  A 501 ( 4.0A)
ANP  A 501 (-4.6A)
0.45A 5h2uD-6ao5A:
25.1
5h2uD-6ao5A:
21.86
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.
5H2U_D_1N1D504_1
(PROTEIN-TYROSINE
KINASE 6)
6ao5 SERINE/THREONINE-PRO
TEIN KINASE 3

(Homo
sapiens)
6 / 12 VAL A  41
ALA A  54
ILE A  97
GLY A 105
LEU A 153
ASP A 164
ANP  A 501 (-4.4A)
ANP  A 501 ( 3.7A)
None
ANP  A 501 ( 4.0A)
ANP  A 501 (-4.6A)
MG  A 502 ( 3.1A)
0.53A 5h2uD-6ao5A:
25.1
5h2uD-6ao5A:
21.86
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_B_032B401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)
6ao5 SERINE/THREONINE-PRO
TEIN KINASE 3

(Homo
sapiens)
6 / 12 VAL A  41
ALA A  54
ILE A  97
TYR A 101
PHE A 165
GLY A 166
ANP  A 501 (-4.4A)
ANP  A 501 ( 3.7A)
None
ANP  A 501 ( 4.2A)
None
None
0.81A 5hesB-6ao5A:
23.6
5hesB-6ao5A:
27.22
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.
5LW1_H_ADNH401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE 8)
6ao5 SERINE/THREONINE-PRO
TEIN KINASE 3

(Homo
sapiens)
5 / 9 GLY A  34
VAL A  41
ALA A  54
MET A  99
LEU A 153
ANP  A 501 ( 3.9A)
ANP  A 501 (-4.4A)
ANP  A 501 ( 3.7A)
ANP  A 501 (-2.5A)
ANP  A 501 (-4.6A)
1.08A 5lw1H-6ao5A:
19.8
5lw1H-6ao5A:
11.93
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.
5N3H_A_NCAA401_0
(CAMP-DEPENDENT
PROTEIN KINASE
CATALYTIC SUBUNIT
ALPHA)
6ao5 SERINE/THREONINE-PRO
TEIN KINASE 3

(Homo
sapiens)
6 / 10 LEU A  33
VAL A  41
ALA A  54
VAL A  83
TYR A 101
LEU A 153
ANP  A 501 ( 3.8A)
ANP  A 501 (-4.4A)
ANP  A 501 ( 3.7A)
None
ANP  A 501 ( 4.2A)
ANP  A 501 (-4.6A)
0.84A 5n3hA-6ao5A:
22.1
5n3hA-6ao5A:
28.03
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.
5P9I_A_1E8A701_1
(TYROSINE-PROTEIN
KINASE BTK)
6ao5 SERINE/THREONINE-PRO
TEIN KINASE 3

(Homo
sapiens)
8 / 12 VAL A  41
ALA A  54
LYS A  56
MET A  74
ILE A  97
GLY A 105
LEU A 153
PHE A 165
ANP  A 501 (-4.4A)
ANP  A 501 ( 3.7A)
ANP  A 501 (-2.4A)
None
None
ANP  A 501 ( 4.0A)
ANP  A 501 (-4.6A)
None
0.91A 5p9iA-6ao5A:
24.6
5p9iA-6ao5A:
24.27
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.
5TE0_A_XINA401_2
(AP2-ASSOCIATED
PROTEIN KINASE 1)
6ao5 SERINE/THREONINE-PRO
TEIN KINASE 3

(Homo
sapiens)
4 / 5 LEU A  33
VAL A  41
MET A  99
CYH A 102
ANP  A 501 ( 3.8A)
ANP  A 501 (-4.4A)
ANP  A 501 (-2.5A)
ANP  A 501 (-4.2A)
0.72A 5te0A-6ao5A:
9.9
5te0A-6ao5A:
26.95
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.
5VC3_A_DB8A601_1
(WEE1-LIKE PROTEIN
KINASE)
6ao5 SERINE/THREONINE-PRO
TEIN KINASE 3

(Homo
sapiens)
6 / 12 GLY A  34
ALA A  54
TYR A 101
CYH A 102
GLY A 105
ASP A 109
ANP  A 501 ( 3.9A)
ANP  A 501 ( 3.7A)
ANP  A 501 ( 4.2A)
ANP  A 501 (-4.2A)
ANP  A 501 ( 4.0A)
ANP  A 501 (-2.6A)
0.63A 5vc3A-6ao5A:
22.4
5vc3A-6ao5A:
24.08
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.
5W5V_A_ANWA701_0
(SERINE/THREONINE-PRO
TEIN KINASE TBK1)
6ao5 SERINE/THREONINE-PRO
TEIN KINASE 3

(Homo
sapiens)
5 / 9 LEU A  33
ALA A  54
VAL A  83
CYH A 102
GLY A 105
ANP  A 501 ( 3.8A)
ANP  A 501 ( 3.7A)
None
ANP  A 501 (-4.2A)
ANP  A 501 ( 4.0A)
0.54A 5w5vA-6ao5A:
5.4
5w5vA-6ao5A:
20.87
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.
5YU9_A_1E8A1101_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
6ao5 SERINE/THREONINE-PRO
TEIN KINASE 3

(Homo
sapiens)
8 / 12 LEU A  33
GLY A  34
VAL A  41
ALA A  54
LYS A  56
MET A  99
LEU A 153
ASP A 164
ANP  A 501 ( 3.8A)
ANP  A 501 ( 3.9A)
ANP  A 501 (-4.4A)
ANP  A 501 ( 3.7A)
ANP  A 501 (-2.4A)
ANP  A 501 (-2.5A)
ANP  A 501 (-4.6A)
MG  A 502 ( 3.1A)
0.74A 5yu9A-6ao5A:
23.6
5yu9A-6ao5A:
13.95
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.
5YU9_B_1E8B1101_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
6ao5 SERINE/THREONINE-PRO
TEIN KINASE 3

(Homo
sapiens)
6 / 12 GLY A  34
VAL A  41
ALA A  54
LYS A  56
MET A  74
ASP A 164
ANP  A 501 ( 3.9A)
ANP  A 501 (-4.4A)
ANP  A 501 ( 3.7A)
ANP  A 501 (-2.4A)
None
MG  A 502 ( 3.1A)
0.87A 5yu9B-6ao5A:
23.4
5yu9B-6ao5A:
13.95
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.
5YU9_B_1E8B1101_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
6ao5 SERINE/THREONINE-PRO
TEIN KINASE 3

(Homo
sapiens)
7 / 12 GLY A  34
VAL A  41
ALA A  54
LYS A  56
MET A  99
LEU A 153
ASP A 164
ANP  A 501 ( 3.9A)
ANP  A 501 (-4.4A)
ANP  A 501 ( 3.7A)
ANP  A 501 (-2.4A)
ANP  A 501 (-2.5A)
ANP  A 501 (-4.6A)
MG  A 502 ( 3.1A)
0.75A 5yu9B-6ao5A:
23.4
5yu9B-6ao5A:
13.95
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.
5YU9_C_1E8C1101_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
6ao5 SERINE/THREONINE-PRO
TEIN KINASE 3

(Homo
sapiens)
6 / 12 VAL A  41
ALA A  54
LYS A  56
MET A  74
GLY A 105
ASP A 164
ANP  A 501 (-4.4A)
ANP  A 501 ( 3.7A)
ANP  A 501 (-2.4A)
None
ANP  A 501 ( 4.0A)
MG  A 502 ( 3.1A)
0.86A 5yu9C-6ao5A:
23.4
5yu9C-6ao5A:
13.95
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.
5YU9_C_1E8C1101_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
6ao5 SERINE/THREONINE-PRO
TEIN KINASE 3

(Homo
sapiens)
6 / 12 VAL A  41
ALA A  54
LYS A  56
MET A  99
GLY A 105
ASP A 164
ANP  A 501 (-4.4A)
ANP  A 501 ( 3.7A)
ANP  A 501 (-2.4A)
ANP  A 501 (-2.5A)
ANP  A 501 ( 4.0A)
MG  A 502 ( 3.1A)
0.77A 5yu9C-6ao5A:
23.4
5yu9C-6ao5A:
13.95
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.
5YU9_D_1E8D1101_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
6ao5 SERINE/THREONINE-PRO
TEIN KINASE 3

(Homo
sapiens)
7 / 12 VAL A  41
ALA A  54
LYS A  56
MET A  74
GLY A 105
LEU A 153
ASP A 164
ANP  A 501 (-4.4A)
ANP  A 501 ( 3.7A)
ANP  A 501 (-2.4A)
None
ANP  A 501 ( 4.0A)
ANP  A 501 (-4.6A)
MG  A 502 ( 3.1A)
0.83A 5yu9D-6ao5A:
23.7
5yu9D-6ao5A:
13.95
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.
5YU9_D_1E8D1101_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
6ao5 SERINE/THREONINE-PRO
TEIN KINASE 3

(Homo
sapiens)
7 / 12 VAL A  41
ALA A  54
LYS A  56
MET A  99
GLY A 105
LEU A 153
ASP A 164
ANP  A 501 (-4.4A)
ANP  A 501 ( 3.7A)
ANP  A 501 (-2.4A)
ANP  A 501 (-2.5A)
ANP  A 501 ( 4.0A)
ANP  A 501 (-4.6A)
MG  A 502 ( 3.1A)
0.77A 5yu9D-6ao5A:
23.7
5yu9D-6ao5A:
13.95
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.
6AWV_A_BEZA202_0
(ARA H 8 ALLERGEN)
6ao5 SERINE/THREONINE-PRO
TEIN KINASE 3

(Homo
sapiens)
4 / 4 PHE A 439
ASP A 438
LEU A 443
LYS A 441
None
1.24A 6awvA-6ao5A:
undetectable
6awvA-6ao5A:
18.28