SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'I85'


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.
1FMO_E_ADNE351_1
(CAMP-DEPENDENT
PROTEIN KINASE)		 3she MAP KINASE-ACTIVATED
PROTEIN KINASE 3
(Homo
sapiens) 		9 / 12 LEU A  50
GLY A  51
VAL A  58
ALA A  71
VAL A  98
ASN A 171
LEU A 173
THR A 186
ASP A 187
 I85  A 350 (-3.7A)
I85  A 350 (-3.5A)
I85  A 350 (-4.9A)
I85  A 350 (-3.3A)
None
I85  A 350 (-4.4A)
None
I85  A 350 ( 4.0A)
I85  A 350 (-3.3A)
 0.66A 1fmoE-3sheA:
20.6		 1fmoE-3sheA:
29.27
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.
1IEP_A_STIA201_2
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL)		 3she MAP KINASE-ACTIVATED
PROTEIN KINASE 3
(Homo
sapiens) 		4 / 6 LYS A  73
VAL A  98
ILE A 116
ARG A 165
 I85  A 350 (-2.8A)
None
None
None
 1.15A 1iepA-3sheA:
18.4		 1iepA-3sheA:
24.48
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_2
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL)		 3she MAP KINASE-ACTIVATED
PROTEIN KINASE 3
(Homo
sapiens) 		5 / 7 LYS A  73
VAL A  98
ILE A 116
ARG A 165
LEU A 173
 I85  A 350 (-2.8A)
None
None
None
None
 1.11A 1iepB-3sheA:
18.3		 1iepB-3sheA:
24.48
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.
1OPJ_B_STIB4_2
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 3she MAP KINASE-ACTIVATED
PROTEIN KINASE 3
(Homo
sapiens) 		4 / 6 LEU A  50
LYS A  73
ILE A 116
ARG A 165
 I85  A 350 (-3.7A)
I85  A 350 (-2.8A)
None
None
 1.05A 1opjB-3sheA:
18.2		 1opjB-3sheA:
24.48
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.
2EUF_B_LQQB401_1
(CELL DIVISION
PROTEIN KINASE 6)		 3she MAP KINASE-ACTIVATED
PROTEIN KINASE 3
(Homo
sapiens) 		6 / 12 VAL A  58
LYS A  73
VAL A  98
ASN A 171
LEU A 173
ASP A 187
 I85  A 350 (-4.9A)
I85  A 350 (-2.8A)
None
I85  A 350 (-4.4A)
None
I85  A 350 (-3.3A)
 0.66A 2eufB-3sheA:
21.5		 2eufB-3sheA:
25.52
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)		 3she MAP KINASE-ACTIVATED
PROTEIN KINASE 3
(Homo
sapiens) 		8 / 12 LEU A  50
GLY A  51
VAL A  58
ALA A  71
ASP A 166
LYS A 168
ASN A 171
ASP A 187
 I85  A 350 (-3.7A)
I85  A 350 (-3.5A)
I85  A 350 (-4.9A)
I85  A 350 (-3.3A)
None
None
I85  A 350 (-4.4A)
I85  A 350 (-3.3A)
 0.59A 2fumA-3sheA:
22.2		 2fumA-3sheA:
27.14
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.
2FUM_B_MIXB1539_1
(PROBABLE
SERINE/THREONINE-PRO
TEIN KINASE PKNB)		 3she MAP KINASE-ACTIVATED
PROTEIN KINASE 3
(Homo
sapiens) 		8 / 12 LEU A  50
GLY A  51
VAL A  58
ALA A  71
MET A 118
LYS A 168
ASN A 171
ASP A 187
 I85  A 350 (-3.7A)
I85  A 350 (-3.5A)
I85  A 350 (-4.9A)
I85  A 350 (-3.3A)
I85  A 350 ( 3.9A)
None
I85  A 350 (-4.4A)
I85  A 350 (-3.3A)
 0.65A 2fumB-3sheA:
22.3		 2fumB-3sheA:
27.14
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.
2FUM_C_MIXC2539_1
(PROBABLE
SERINE/THREONINE-PRO
TEIN KINASE PKNB)		 3she MAP KINASE-ACTIVATED
PROTEIN KINASE 3
(Homo
sapiens) 		6 / 12 LEU A  50
GLY A  51
VAL A  58
ALA A  71
MET A 118
ASN A 171
 I85  A 350 (-3.7A)
I85  A 350 (-3.5A)
I85  A 350 (-4.9A)
I85  A 350 (-3.3A)
I85  A 350 ( 3.9A)
I85  A 350 (-4.4A)
 0.40A 2fumC-3sheA:
20.9		 2fumC-3sheA:
27.14
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.
2FUM_D_MIXD3539_1
(PROBABLE
SERINE/THREONINE-PRO
TEIN KINASE PKNB)		 3she MAP KINASE-ACTIVATED
PROTEIN KINASE 3
(Homo
sapiens) 		7 / 12 LEU A  50
GLY A  51
GLY A  53
VAL A  58
ALA A  71
LYS A 168
ASN A 171
 I85  A 350 (-3.7A)
I85  A 350 (-3.5A)
I85  A 350 (-3.1A)
I85  A 350 (-4.9A)
I85  A 350 (-3.3A)
None
I85  A 350 (-4.4A)
 0.85A 2fumD-3sheA:
20.8		 2fumD-3sheA:
27.14
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.
2FUM_D_MIXD3539_1
(PROBABLE
SERINE/THREONINE-PRO
TEIN KINASE PKNB)		 3she MAP KINASE-ACTIVATED
PROTEIN KINASE 3
(Homo
sapiens) 		7 / 12 LEU A  50
GLY A  51
VAL A  58
ALA A  71
MET A 118
LYS A 168
ASN A 171
 I85  A 350 (-3.7A)
I85  A 350 (-3.5A)
I85  A 350 (-4.9A)
I85  A 350 (-3.3A)
I85  A 350 ( 3.9A)
None
I85  A 350 (-4.4A)
 0.67A 2fumD-3sheA:
20.8		 2fumD-3sheA:
27.14
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.
2HYY_A_STIA600_2
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 3she MAP KINASE-ACTIVATED
PROTEIN KINASE 3
(Homo
sapiens) 		5 / 6 LEU A  50
LYS A  73
VAL A  98
ILE A 116
ARG A 165
 I85  A 350 (-3.7A)
I85  A 350 (-2.8A)
None
None
None
 0.99A 2hyyA-3sheA:
18.4		 2hyyA-3sheA:
24.00
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.
2HYY_B_STIB600_2
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 3she MAP KINASE-ACTIVATED
PROTEIN KINASE 3
(Homo
sapiens) 		4 / 6 LEU A  50
LYS A  73
VAL A  98
ILE A 116
 I85  A 350 (-3.7A)
I85  A 350 (-2.8A)
None
None
 0.72A 2hyyB-3sheA:
18.5		 2hyyB-3sheA:
24.00
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.
3C7Q_A_XINA1172_1
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)		 3she MAP KINASE-ACTIVATED
PROTEIN KINASE 3
(Homo
sapiens) 		8 / 12 LEU A  50
GLY A  51
GLU A  60
ALA A  71
LYS A  73
VAL A  98
GLY A 124
LEU A 173
 I85  A 350 (-3.7A)
I85  A 350 (-3.5A)
None
I85  A 350 (-3.3A)
I85  A 350 (-2.8A)
None
I85  A 350 (-3.0A)
None
 0.84A 3c7qA-3sheA:
18.2		 3c7qA-3sheA:
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.
3CS9_A_NILA600_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 3she MAP KINASE-ACTIVATED
PROTEIN KINASE 3
(Homo
sapiens) 		5 / 10 LEU A  50
VAL A  58
LYS A  73
VAL A  98
ILE A 116
 I85  A 350 (-3.7A)
I85  A 350 (-4.9A)
I85  A 350 (-2.8A)
None
None
 0.66A 3cs9A-3sheA:
18.4		 3cs9A-3sheA:
23.55
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.
3CS9_B_NILB600_2
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 3she MAP KINASE-ACTIVATED
PROTEIN KINASE 3
(Homo
sapiens) 		6 / 9 LEU A  50
VAL A  58
LYS A  73
VAL A  98
ILE A 116
LEU A 173
 I85  A 350 (-3.7A)
I85  A 350 (-4.9A)
I85  A 350 (-2.8A)
None
None
None
 0.72A 3cs9B-3sheA:
19.0		 3cs9B-3sheA:
23.55
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.
3CS9_C_NILC600_2
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 3she MAP KINASE-ACTIVATED
PROTEIN KINASE 3
(Homo
sapiens) 		5 / 9 LEU A  50
VAL A  58
LYS A  73
VAL A  98
ILE A 116
 I85  A 350 (-3.7A)
I85  A 350 (-4.9A)
I85  A 350 (-2.8A)
None
None
 0.68A 3cs9C-3sheA:
18.9		 3cs9C-3sheA:
23.55
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.
3CS9_D_NILD600_2
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 3she MAP KINASE-ACTIVATED
PROTEIN KINASE 3
(Homo
sapiens) 		4 / 6 LEU A  50
VAL A  58
LYS A  73
LEU A 173
 I85  A 350 (-3.7A)
I85  A 350 (-4.9A)
I85  A 350 (-2.8A)
None
 0.76A 3cs9D-3sheA:
17.2		 3cs9D-3sheA:
23.55
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.
3EYG_A_MI1A1_1
(TYROSINE-PROTEIN
KINASE)		 3she MAP KINASE-ACTIVATED
PROTEIN KINASE 3
(Homo
sapiens) 		11 / 12 LEU A  50
GLY A  51
GLY A  53
GLY A  56
VAL A  58
ALA A  71
LYS A  73
MET A 118
ASN A 171
LEU A 173
ASP A 187
 I85  A 350 (-3.7A)
I85  A 350 (-3.5A)
I85  A 350 (-3.1A)
None
I85  A 350 (-4.9A)
I85  A 350 (-3.3A)
I85  A 350 (-2.8A)
I85  A 350 ( 3.9A)
I85  A 350 (-4.4A)
None
I85  A 350 (-3.3A)
 0.85A 3eygA-3sheA:
20.5		 3eygA-3sheA:
25.43
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)		 3she MAP KINASE-ACTIVATED
PROTEIN KINASE 3
(Homo
sapiens) 		9 / 12 LEU A  50
GLY A  51
GLY A  53
GLY A  56
VAL A  58
ALA A  71
LYS A  73
LEU A 173
ASP A 187
 I85  A 350 (-3.7A)
I85  A 350 (-3.5A)
I85  A 350 (-3.1A)
None
I85  A 350 (-4.9A)
I85  A 350 (-3.3A)
I85  A 350 (-2.8A)
None
I85  A 350 (-3.3A)
 0.99A 3fupA-3sheA:
20.3		 3fupA-3sheA:
26.84
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.
3FUP_A_MI1A1_1
(TYROSINE-PROTEIN
KINASE JAK2)		 3she MAP KINASE-ACTIVATED
PROTEIN KINASE 3
(Homo
sapiens) 		9 / 12 LEU A  50
GLY A  51
GLY A  56
VAL A  58
ALA A  71
LYS A  73
MET A 118
LEU A 173
ASP A 187
 I85  A 350 (-3.7A)
I85  A 350 (-3.5A)
None
I85  A 350 (-4.9A)
I85  A 350 (-3.3A)
I85  A 350 (-2.8A)
I85  A 350 ( 3.9A)
None
I85  A 350 (-3.3A)
 0.83A 3fupA-3sheA:
20.3		 3fupA-3sheA:
26.84
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.
3FUP_B_MI1B1_1
(TYROSINE-PROTEIN
KINASE JAK2)		 3she MAP KINASE-ACTIVATED
PROTEIN KINASE 3
(Homo
sapiens) 		8 / 12 LEU A  50
GLY A  51
VAL A  58
ALA A  71
LYS A  73
VAL A  98
MET A 118
LEU A 173
 I85  A 350 (-3.7A)
I85  A 350 (-3.5A)
I85  A 350 (-4.9A)
I85  A 350 (-3.3A)
I85  A 350 (-2.8A)
None
I85  A 350 ( 3.9A)
None
 0.62A 3fupB-3sheA:
20.3		 3fupB-3sheA:
26.84
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.
3IK3_A_0LIA1_2
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 3she MAP KINASE-ACTIVATED
PROTEIN KINASE 3
(Homo
sapiens) 		4 / 7 LEU A  50
LYS A  73
ILE A 116
ARG A 165
 I85  A 350 (-3.7A)
I85  A 350 (-2.8A)
None
None
 0.91A 3ik3A-3sheA:
18.7		 3ik3A-3sheA:
25.00
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.
3IK3_B_0LIB2_2
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 3she MAP KINASE-ACTIVATED
PROTEIN KINASE 3
(Homo
sapiens) 		4 / 7 LEU A  50
LYS A  73
ILE A 116
ARG A 165
 I85  A 350 (-3.7A)
I85  A 350 (-2.8A)
None
None
 0.82A 3ik3B-3sheA:
18.3		 3ik3B-3sheA:
25.00
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.
3K5V_A_STIA2_2
(TYROSINE-PROTEIN
KINASE ABL1)		 3she MAP KINASE-ACTIVATED
PROTEIN KINASE 3
(Homo
sapiens) 		4 / 6 LEU A  50
LYS A  73
VAL A  98
ILE A 116
 I85  A 350 (-3.7A)
I85  A 350 (-2.8A)
None
None
 0.69A 3k5vA-3sheA:
18.5		 3k5vA-3sheA:
24.48
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.
3K5V_B_STIB2_2
(TYROSINE-PROTEIN
KINASE ABL1)		 3she MAP KINASE-ACTIVATED
PROTEIN KINASE 3
(Homo
sapiens) 		4 / 6 LEU A  50
LYS A  73
VAL A  98
ILE A 116
 I85  A 350 (-3.7A)
I85  A 350 (-2.8A)
None
None
 0.67A 3k5vB-3sheA:
18.3		 3k5vB-3sheA:
24.48
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.
3LXK_A_MI1A1125_1
(TYROSINE-PROTEIN
KINASE JAK3)		 3she MAP KINASE-ACTIVATED
PROTEIN KINASE 3
(Homo
sapiens) 		9 / 12 LEU A  50
GLY A  51
VAL A  58
ALA A  71
LYS A  73
VAL A  98
MET A 118
LEU A 173
ASP A 187
 I85  A 350 (-3.7A)
I85  A 350 (-3.5A)
I85  A 350 (-4.9A)
I85  A 350 (-3.3A)
I85  A 350 (-2.8A)
None
I85  A 350 ( 3.9A)
None
I85  A 350 (-3.3A)
 0.90A 3lxkA-3sheA:
20.5		 3lxkA-3sheA:
23.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MS9_A_STIA1_2
(TYROSINE-PROTEIN
KINASE ABL1)		 3she MAP KINASE-ACTIVATED
PROTEIN KINASE 3
(Homo
sapiens) 		4 / 6 LYS A  73
VAL A  98
ILE A 116
ARG A 165
 I85  A 350 (-2.8A)
None
None
None
 0.80A 3ms9A-3sheA:
18.5		 3ms9A-3sheA:
24.48
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_A_STIA1_2
(TYROSINE-PROTEIN
KINASE ABL1)		 3she MAP KINASE-ACTIVATED
PROTEIN KINASE 3
(Homo
sapiens) 		4 / 6 LYS A  73
VAL A  98
ILE A 116
ARG A 165
 I85  A 350 (-2.8A)
None
None
None
 0.81A 3mssA-3sheA:
18.5		 3mssA-3sheA:
24.48
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_C_STIC1_2
(TYROSINE-PROTEIN
KINASE ABL1)		 3she MAP KINASE-ACTIVATED
PROTEIN KINASE 3
(Homo
sapiens) 		4 / 6 LYS A  73
VAL A  98
ILE A 116
ARG A 165
 I85  A 350 (-2.8A)
None
None
None
 0.82A 3mssC-3sheA:
18.5		 3mssC-3sheA:
24.48
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)		 3she MAP KINASE-ACTIVATED
PROTEIN KINASE 3
(Homo
sapiens) 		4 / 6 VAL A  58
LYS A  73
VAL A  98
ILE A 116
 I85  A 350 (-4.9A)
I85  A 350 (-2.8A)
None
None
 0.56A 3mssD-3sheA:
18.5		 3mssD-3sheA:
24.48
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.
3OXZ_A_0LIA1_2
(TYROSINE-PROTEIN
KINASE ABL1)		 3she MAP KINASE-ACTIVATED
PROTEIN KINASE 3
(Homo
sapiens) 		5 / 9 LEU A  50
LYS A  73
ILE A 116
ARG A 165
LEU A 173
 I85  A 350 (-3.7A)
I85  A 350 (-2.8A)
None
None
None
 0.82A 3oxzA-3sheA:
18.9		 3oxzA-3sheA:
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.
3PYY_A_STIA3_2
(V-ABL ABELSON MURINE
LEUKEMIA VIRAL
ONCOGENE HOMOLOG 1
ISOFORM B VARIANT)		 3she MAP KINASE-ACTIVATED
PROTEIN KINASE 3
(Homo
sapiens) 		4 / 6 LYS A  73
VAL A  98
ILE A 116
ARG A 165
 I85  A 350 (-2.8A)
None
None
None
 1.07A 3pyyA-3sheA:
18.6		 3pyyA-3sheA:
24.19
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.
3UE4_A_DB8A601_1
(TYROSINE-PROTEIN
KINASE ABL1)		 3she MAP KINASE-ACTIVATED
PROTEIN KINASE 3
(Homo
sapiens) 		7 / 12 ALA A  71
LYS A  73
GLU A  84
VAL A  98
ILE A 116
MET A 121
LEU A 173
 I85  A 350 (-3.3A)
I85  A 350 (-2.8A)
None
None
None
None
None
 0.63A 3ue4A-3sheA:
20.3		 3ue4A-3sheA:
24.70
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)		 3she MAP KINASE-ACTIVATED
PROTEIN KINASE 3
(Homo
sapiens) 		7 / 12 LEU A  50
ALA A  71
LYS A  73
GLU A  84
ILE A 116
MET A 121
LEU A 173
 I85  A 350 (-3.7A)
I85  A 350 (-3.3A)
I85  A 350 (-2.8A)
None
None
None
None
 0.79A 3ue4A-3sheA:
20.3		 3ue4A-3sheA:
24.70
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)		 3she MAP KINASE-ACTIVATED
PROTEIN KINASE 3
(Homo
sapiens) 		8 / 12 LEU A  50
ALA A  71
LYS A  73
GLU A  84
LEU A 157
HIS A 164
ARG A 165
LEU A 173
 I85  A 350 (-3.7A)
I85  A 350 (-3.3A)
I85  A 350 (-2.8A)
None
None
None
None
None
 1.09A 3zosA-3sheA:
17.9		 3zosA-3sheA:
24.53
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.
4AN2_A_EUIA1382_1
(DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 1)		 3she MAP KINASE-ACTIVATED
PROTEIN KINASE 3
(Homo
sapiens) 		5 / 12 LYS A  73
ILE A 116
MET A 118
ASP A 166
ASN A 171
 I85  A 350 (-2.8A)
None
I85  A 350 ( 3.9A)
None
I85  A 350 (-4.4A)
 0.75A 4an2A-3sheA:
18.3		 4an2A-3sheA:
25.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ANS_A_VGHA9000_1
(ALK TYROSINE KINASE
RECEPTOR)		 3she MAP KINASE-ACTIVATED
PROTEIN KINASE 3
(Homo
sapiens) 		7 / 9 LEU A  50
VAL A  58
ALA A  71
MET A 118
MET A 121
GLY A 124
LEU A 173
 I85  A 350 (-3.7A)
I85  A 350 (-4.9A)
I85  A 350 (-3.3A)
I85  A 350 ( 3.9A)
None
I85  A 350 (-3.0A)
None
 1.01A 4ansA-3sheA:
19.6		 4ansA-3sheA:
23.77
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.
4ASD_A_BAXA1500_1
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)		 3she MAP KINASE-ACTIVATED
PROTEIN KINASE 3
(Homo
sapiens) 		8 / 12 LEU A  50
VAL A  58
ALA A  71
LYS A  73
GLU A  84
GLY A 124
LEU A 157
HIS A 164
 I85  A 350 (-3.7A)
I85  A 350 (-4.9A)
I85  A 350 (-3.3A)
I85  A 350 (-2.8A)
None
I85  A 350 (-3.0A)
None
None
 0.85A 4asdA-3sheA:
18.3		 4asdA-3sheA:
22.28
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.
4CKI_A_ADNA2022_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE RECEPTOR RET)		 3she MAP KINASE-ACTIVATED
PROTEIN KINASE 3
(Homo
sapiens) 		6 / 11 LEU A  50
GLY A  51
GLY A  53
VAL A  58
ALA A  71
LEU A 173
 I85  A 350 (-3.7A)
I85  A 350 (-3.5A)
I85  A 350 (-3.1A)
I85  A 350 (-4.9A)
I85  A 350 (-3.3A)
None
 0.88A 4ckiA-3sheA:
20.9		 4ckiA-3sheA:
25.62
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.
4HJO_A_AQ4A1001_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		 3she MAP KINASE-ACTIVATED
PROTEIN KINASE 3
(Homo
sapiens) 		7 / 12 LEU A  50
VAL A  58
ALA A  71
LYS A  73
MET A 121
LEU A 173
THR A 186
 I85  A 350 (-3.7A)
I85  A 350 (-4.9A)
I85  A 350 (-3.3A)
I85  A 350 (-2.8A)
None
None
I85  A 350 ( 4.0A)
 0.98A 4hjoA-3sheA:
13.7		 4hjoA-3sheA:
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.
4HJO_A_AQ4A1001_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		 3she MAP KINASE-ACTIVATED
PROTEIN KINASE 3
(Homo
sapiens) 		7 / 12 LEU A  50
VAL A  58
LYS A  73
MET A 121
LEU A 173
THR A 186
ASP A 187
 I85  A 350 (-3.7A)
I85  A 350 (-4.9A)
I85  A 350 (-2.8A)
None
None
I85  A 350 ( 4.0A)
I85  A 350 (-3.3A)
 1.08A 4hjoA-3sheA:
13.7		 4hjoA-3sheA:
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.
4I41_A_MIXA500_1
(SERINE/THREONINE-PRO
TEIN KINASE PIM-1)		 3she MAP KINASE-ACTIVATED
PROTEIN KINASE 3
(Homo
sapiens) 		7 / 12 VAL A  58
ALA A  71
ASP A 166
LYS A 168
ASN A 171
LEU A 173
ASP A 187
 I85  A 350 (-4.9A)
I85  A 350 (-3.3A)
None
None
I85  A 350 (-4.4A)
None
I85  A 350 (-3.3A)
 0.62A 4i41A-3sheA:
22.0		 4i41A-3sheA:
28.30
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)		 3she MAP KINASE-ACTIVATED
PROTEIN KINASE 3
(Homo
sapiens) 		6 / 11 VAL A  58
ALA A  71
LYS A  73
GLU A 170
LEU A 173
ASP A 187
 I85  A 350 (-4.9A)
I85  A 350 (-3.3A)
I85  A 350 (-2.8A)
None
None
I85  A 350 (-3.3A)
 0.79A 4iaaA-3sheA:
21.7		 4iaaA-3sheA:
27.36
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.
4L9I_A_8PRA601_1
(RHODOPSIN KINASE)		 3she MAP KINASE-ACTIVATED
PROTEIN KINASE 3
(Homo
sapiens) 		5 / 7 VAL A  58
ALA A  71
LEU A  75
MET A 118
MET A 121
 I85  A 350 (-4.9A)
I85  A 350 (-3.3A)
None
I85  A 350 ( 3.9A)
None
 0.93A 4l9iA-3sheA:
6.9		 4l9iA-3sheA:
23.24
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.
4L9I_A_8PRA601_1
(RHODOPSIN KINASE)		 3she MAP KINASE-ACTIVATED
PROTEIN KINASE 3
(Homo
sapiens) 		5 / 7 VAL A  58
ALA A  71
MET A 118
MET A 121
LEU A 173
 I85  A 350 (-4.9A)
I85  A 350 (-3.3A)
I85  A 350 ( 3.9A)
None
None
 0.65A 4l9iA-3sheA:
6.9		 4l9iA-3sheA:
23.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4O0W_A_ADNA501_1
(AURORA KINASE A)		 3she MAP KINASE-ACTIVATED
PROTEIN KINASE 3
(Homo
sapiens) 		5 / 6 LEU A  50
GLY A  51
VAL A  58
ALA A  71
LEU A 173
 I85  A 350 (-3.7A)
I85  A 350 (-3.5A)
I85  A 350 (-4.9A)
I85  A 350 (-3.3A)
None
 0.50A 4o0wA-3sheA:
21.8		 4o0wA-3sheA:
30.46
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.
4OGR_A_ADNA401_1
(CYCLIN-DEPENDENT
KINASE 9)		 3she MAP KINASE-ACTIVATED
PROTEIN KINASE 3
(Homo
sapiens) 		6 / 8 GLY A  53
VAL A  58
ALA A  71
ASN A 171
LEU A 173
ASP A 187
 I85  A 350 (-3.1A)
I85  A 350 (-4.9A)
I85  A 350 (-3.3A)
I85  A 350 (-4.4A)
None
I85  A 350 (-3.3A)
 0.66A 4ogrA-3sheA:
21.0		 4ogrA-3sheA:
26.06
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.
4OGR_E_ADNE401_1
(CYCLIN-DEPENDENT
KINASE 9)		 3she MAP KINASE-ACTIVATED
PROTEIN KINASE 3
(Homo
sapiens) 		5 / 7 GLY A  51
ALA A  71
ASN A 171
LEU A 173
ASP A 187
 I85  A 350 (-3.5A)
I85  A 350 (-3.3A)
I85  A 350 (-4.4A)
None
I85  A 350 (-3.3A)
 0.74A 4ogrE-3sheA:
20.2		 4ogrE-3sheA:
26.06
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.
4OGR_I_ADNI401_1
(CYCLIN-DEPENDENT
KINASE 9)		 3she MAP KINASE-ACTIVATED
PROTEIN KINASE 3
(Homo
sapiens) 		6 / 9 GLY A  53
VAL A  58
ALA A  71
ASN A 171
LEU A 173
ASP A 187
 I85  A 350 (-3.1A)
I85  A 350 (-4.9A)
I85  A 350 (-3.3A)
I85  A 350 (-4.4A)
None
I85  A 350 (-3.3A)
 0.67A 4ogrI-3sheA:
21.1		 4ogrI-3sheA:
26.06
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.
4OTI_A_MI1A1001_1
(SERINE/THREONINE-PRO
TEIN KINASE N1)		 3she MAP KINASE-ACTIVATED
PROTEIN KINASE 3
(Homo
sapiens) 		7 / 12 LEU A  50
GLY A  51
GLY A  56
VAL A  58
ALA A  71
VAL A  98
LEU A 173
 I85  A 350 (-3.7A)
I85  A 350 (-3.5A)
None
I85  A 350 (-4.9A)
I85  A 350 (-3.3A)
None
None
 0.55A 4otiA-3sheA:
19.7		 4otiA-3sheA:
28.69
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.
4PB1_A_RBVA501_1
(NUPC FAMILY PROTEIN)		 3she MAP KINASE-ACTIVATED
PROTEIN KINASE 3
(Homo
sapiens) 		5 / 12 GLY A 151
ALA A 153
LEU A 183
ASN A 171
ILE A 231
 None
None
None
I85  A 350 (-4.4A)
None
 1.14A 4pb1A-3sheA:
undetectable		 4pb1A-3sheA:
20.19
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.
4PD5_A_GEOA501_1
(NUPC FAMILY PROTEIN)		 3she MAP KINASE-ACTIVATED
PROTEIN KINASE 3
(Homo
sapiens) 		5 / 12 GLY A 151
ALA A 153
LEU A 183
ASN A 171
ILE A 231
 None
None
None
I85  A 350 (-4.4A)
None
 1.15A 4pd5A-3sheA:
undetectable		 4pd5A-3sheA:
20.19
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.
4QRC_A_0LIA802_1
(FIBROBLAST GROWTH
FACTOR RECEPTOR 4)		 3she MAP KINASE-ACTIVATED
PROTEIN KINASE 3
(Homo
sapiens) 		5 / 12 ALA A  71
GLU A  84
CYH A 120
LEU A 157
ARG A 165
 I85  A 350 (-3.3A)
None
I85  A 350 ( 3.8A)
None
None
 0.95A 4qrcA-3sheA:
12.9		 4qrcA-3sheA:
25.41
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.
4WBO_B_ANWB601_0
(RHODOPSIN KINASE)		 3she MAP KINASE-ACTIVATED
PROTEIN KINASE 3
(Homo
sapiens) 		4 / 8 LEU A  50
ALA A  71
MET A 118
LEU A 173
 I85  A 350 (-3.7A)
I85  A 350 (-3.3A)
I85  A 350 ( 3.9A)
None
 0.57A 4wboB-3sheA:
18.2		 4wboB-3sheA:
23.15
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.
4WBO_C_ANWC601_0
(RHODOPSIN KINASE)		 3she MAP KINASE-ACTIVATED
PROTEIN KINASE 3
(Homo
sapiens) 		5 / 6 LEU A  50
ALA A  71
MET A 118
MET A 121
LEU A 173
 I85  A 350 (-3.7A)
I85  A 350 (-3.3A)
I85  A 350 ( 3.9A)
None
None
 0.59A 4wboC-3sheA:
18.4		 4wboC-3sheA:
23.15
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.
4XEY_A_1N1A601_1
(TYROSINE-PROTEIN
KINASE ABL1)		 3she MAP KINASE-ACTIVATED
PROTEIN KINASE 3
(Homo
sapiens) 		7 / 12 LEU A  50
VAL A  58
ALA A  71
LYS A  73
VAL A  98
ILE A 116
LEU A 173
 I85  A 350 (-3.7A)
I85  A 350 (-4.9A)
I85  A 350 (-3.3A)
I85  A 350 (-2.8A)
None
None
None
 0.79A 4xeyA-3sheA:
19.9		 4xeyA-3sheA:
20.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XV2_A_P06A801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 3she MAP KINASE-ACTIVATED
PROTEIN KINASE 3
(Homo
sapiens) 		5 / 12 VAL A  58
ALA A  71
LYS A  73
ASP A 187
PHE A 188
 I85  A 350 (-4.9A)
I85  A 350 (-3.3A)
I85  A 350 (-2.8A)
I85  A 350 (-3.3A)
None
 0.62A 4xv2A-3sheA:
19.9		 4xv2A-3sheA:
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.
5AAB_A_VGHA9000_1
(ALK TYROSINE KINASE
RECEPTOR)		 3she MAP KINASE-ACTIVATED
PROTEIN KINASE 3
(Homo
sapiens) 		7 / 10 LEU A  50
VAL A  58
ALA A  71
LYS A  73
MET A 121
LEU A 173
ASP A 187
 I85  A 350 (-3.7A)
I85  A 350 (-4.9A)
I85  A 350 (-3.3A)
I85  A 350 (-2.8A)
None
None
I85  A 350 (-3.3A)
 1.01A 5aabA-3sheA:
19.6		 5aabA-3sheA:
23.48
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.
5HIE_A_P06A801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 3she MAP KINASE-ACTIVATED
PROTEIN KINASE 3
(Homo
sapiens) 		5 / 12 GLY A  53
VAL A  58
ALA A  71
LYS A  73
ILE A 116
 I85  A 350 (-3.1A)
I85  A 350 (-4.9A)
I85  A 350 (-3.3A)
I85  A 350 (-2.8A)
None
 0.65A 5hieA-3sheA:
3.4		 5hieA-3sheA:
26.18
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.
5HIE_B_P06B801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 3she MAP KINASE-ACTIVATED
PROTEIN KINASE 3
(Homo
sapiens) 		5 / 12 GLY A  53
VAL A  58
ALA A  71
LYS A  73
ILE A 116
 I85  A 350 (-3.1A)
I85  A 350 (-4.9A)
I85  A 350 (-3.3A)
I85  A 350 (-2.8A)
None
 0.67A 5hieB-3sheA:
19.9		 5hieB-3sheA:
26.18
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.
5HIE_C_P06C801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 3she MAP KINASE-ACTIVATED
PROTEIN KINASE 3
(Homo
sapiens) 		6 / 12 GLY A  51
GLY A  53
VAL A  58
ALA A  71
LYS A  73
ASP A 187
 I85  A 350 (-3.5A)
I85  A 350 (-3.1A)
I85  A 350 (-4.9A)
I85  A 350 (-3.3A)
I85  A 350 (-2.8A)
I85  A 350 (-3.3A)
 0.78A 5hieC-3sheA:
19.9		 5hieC-3sheA:
26.18
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.
5HIE_D_P06D801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 3she MAP KINASE-ACTIVATED
PROTEIN KINASE 3
(Homo
sapiens) 		5 / 12 GLY A  53
VAL A  58
ALA A  71
LYS A  73
ILE A 116
 I85  A 350 (-3.1A)
I85  A 350 (-4.9A)
I85  A 350 (-3.3A)
I85  A 350 (-2.8A)
None
 0.67A 5hieD-3sheA:
19.9		 5hieD-3sheA:
26.18
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.
5LVN_A_ADNA402_1
(3-PHOSPHOINOSITIDE-D
EPENDENT PROTEIN
KINASE 1)		 3she MAP KINASE-ACTIVATED
PROTEIN KINASE 3
(Homo
sapiens) 		7 / 11 LEU A  50
GLY A  51
VAL A  58
ALA A  71
VAL A  98
GLU A 125
LEU A 173
 I85  A 350 (-3.7A)
I85  A 350 (-3.5A)
I85  A 350 (-4.9A)
I85  A 350 (-3.3A)
None
None
None
 0.62A 5lvnA-3sheA:
21.5		 5lvnA-3sheA:
29.13
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)		 3she MAP KINASE-ACTIVATED
PROTEIN KINASE 3
(Homo
sapiens) 		7 / 11 LEU A  50
GLY A  51
VAL A  58
ALA A  71
VAL A  98
GLU A 170
LEU A 173
 I85  A 350 (-3.7A)
I85  A 350 (-3.5A)
I85  A 350 (-4.9A)
I85  A 350 (-3.3A)
None
None
None
 0.64A 5lvnA-3sheA:
21.5		 5lvnA-3sheA:
29.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5LW1_B_ADNB401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE 8)		 3she MAP KINASE-ACTIVATED
PROTEIN KINASE 3
(Homo
sapiens) 		5 / 9 GLY A  51
VAL A  58
ALA A  71
MET A 118
MET A 121
 I85  A 350 (-3.5A)
I85  A 350 (-4.9A)
I85  A 350 (-3.3A)
I85  A 350 ( 3.9A)
None
 0.60A 5lw1B-3sheA:
11.1		 5lw1B-3sheA:
12.75
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)		 3she MAP KINASE-ACTIVATED
PROTEIN KINASE 3
(Homo
sapiens) 		5 / 10 GLY A  51
VAL A  58
ALA A  71
MET A 118
MET A 121
 I85  A 350 (-3.5A)
I85  A 350 (-4.9A)
I85  A 350 (-3.3A)
I85  A 350 ( 3.9A)
None
 0.65A 5lw1E-3sheA:
18.0		 5lw1E-3sheA:
12.75
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)		 3she MAP KINASE-ACTIVATED
PROTEIN KINASE 3
(Homo
sapiens) 		5 / 9 GLY A  51
VAL A  58
ALA A  71
MET A 118
MET A 121
 I85  A 350 (-3.5A)
I85  A 350 (-4.9A)
I85  A 350 (-3.3A)
I85  A 350 ( 3.9A)
None
 0.51A 5lw1H-3sheA:
18.3		 5lw1H-3sheA:
12.75
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.
5MO4_A_NILA601_1
(TYROSINE-PROTEIN
KINASE ABL1)		 3she MAP KINASE-ACTIVATED
PROTEIN KINASE 3
(Homo
sapiens) 		6 / 10 LEU A  50
VAL A  58
LYS A  73
GLU A  84
ILE A 116
GLY A 124
 I85  A 350 (-3.7A)
I85  A 350 (-4.9A)
I85  A 350 (-2.8A)
None
None
I85  A 350 (-3.0A)
 0.86A 5mo4A-3sheA:
16.0		 5mo4A-3sheA:
20.72
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.
5N3H_A_NCAA401_0
(CAMP-DEPENDENT
PROTEIN KINASE
CATALYTIC SUBUNIT
ALPHA)		 3she MAP KINASE-ACTIVATED
PROTEIN KINASE 3
(Homo
sapiens) 		7 / 10 LEU A  50
VAL A  58
ALA A  71
VAL A  98
MET A 118
LEU A 173
THR A 186
 I85  A 350 (-3.7A)
I85  A 350 (-4.9A)
I85  A 350 (-3.3A)
None
I85  A 350 ( 3.9A)
None
I85  A 350 ( 4.0A)
 0.75A 5n3hA-3sheA:
20.4		 5n3hA-3sheA:
29.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5OWR_A_1N1A401_1
(SERINE/THREONINE-PRO
TEIN KINASE 10)		 3she MAP KINASE-ACTIVATED
PROTEIN KINASE 3
(Homo
sapiens) 		4 / 8 ALA A  71
GLU A  84
LEU A 173
ASP A 187
 I85  A 350 (-3.3A)
None
None
I85  A 350 (-3.3A)
 0.69A 5owrA-3sheA:
21.2		 5owrA-3sheA:
31.50
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.
5W5V_A_ANWA701_0
(SERINE/THREONINE-PRO
TEIN KINASE TBK1)		 3she MAP KINASE-ACTIVATED
PROTEIN KINASE 3
(Homo
sapiens) 		5 / 9 ALA A  71
VAL A  98
MET A 118
GLY A 123
THR A 186
 I85  A 350 (-3.3A)
None
I85  A 350 ( 3.9A)
I85  A 350 (-4.3A)
I85  A 350 ( 4.0A)
 0.81A 5w5vA-3sheA:
4.2		 5w5vA-3sheA:
18.75
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)		 3she MAP KINASE-ACTIVATED
PROTEIN KINASE 3
(Homo
sapiens) 		5 / 9 ALA A  71
VAL A  98
MET A 118
GLY A 124
THR A 186
 I85  A 350 (-3.3A)
None
I85  A 350 ( 3.9A)
I85  A 350 (-3.0A)
I85  A 350 ( 4.0A)
 0.67A 5w5vA-3sheA:
4.2		 5w5vA-3sheA:
18.75
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)		 3she MAP KINASE-ACTIVATED
PROTEIN KINASE 3
(Homo
sapiens) 		5 / 9 LEU A  50
ALA A  71
VAL A  98
GLY A 124
THR A 186
 I85  A 350 (-3.7A)
I85  A 350 (-3.3A)
None
I85  A 350 (-3.0A)
I85  A 350 ( 4.0A)
 0.84A 5w5vA-3sheA:
4.2		 5w5vA-3sheA:
18.75
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.
5Y80_A_IREA401_0
(CYCLIN-G-ASSOCIATED
KINASE)		 3she MAP KINASE-ACTIVATED
PROTEIN KINASE 3
(Homo
sapiens) 		8 / 12 LEU A  50
VAL A  58
ALA A  71
LYS A  73
GLU A  84
GLY A 124
LEU A 173
ASP A 187
 I85  A 350 (-3.7A)
I85  A 350 (-4.9A)
I85  A 350 (-3.3A)
I85  A 350 (-2.8A)
None
I85  A 350 (-3.0A)
None
I85  A 350 (-3.3A)
 0.80A 5y80A-3sheA:
21.8		 5y80A-3sheA:
15.73
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.
5ZV2_B_LEVB801_1
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1)		 3she MAP KINASE-ACTIVATED
PROTEIN KINASE 3
(Homo
sapiens) 		6 / 12 LEU A  50
VAL A  58
ALA A  71
LYS A  73
GLU A  84
GLY A 124
 I85  A 350 (-3.7A)
I85  A 350 (-4.9A)
I85  A 350 (-3.3A)
I85  A 350 (-2.8A)
None
I85  A 350 (-3.0A)
 0.65A 5zv2B-3sheA:
18.9		 5zv2B-3sheA:
11.67