SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '1s9i'

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.
1XBB_A_STIA1_1
(TYROSINE-PROTEIN
KINASE SYK)		 1s9i DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 2
(Homo
sapiens) 		5 / 9 LEU A  78
VAL A  86
ALA A  99
GLY A 153
LEU A 201
 ATP  A 535 (-3.9A)
ATP  A 535 (-4.1A)
ATP  A 535 (-3.6A)
ATP  A 535 ( 4.7A)
ATP  A 535 (-4.8A)
 0.50A 1xbbA-1s9iA:
7.1		 1xbbA-1s9iA:
26.22
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.
1XKK_A_FMMA91_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		 1s9i DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 2
(Homo
sapiens) 		5 / 12 ALA A  99
GLY A 153
LEU A 201
ASP A 212
PHE A 213
 ATP  A 535 (-3.6A)
ATP  A 535 ( 4.7A)
ATP  A 535 (-4.8A)
MG  A 536 (-3.3A)
5EA  A1001 (-3.6A)
 0.51A 1xkkA-1s9iA:
24.7		 1xkkA-1s9iA:
25.82
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.
2EVA_A_ADNA498_1
(TAK1 KINASE - TAB1
CHIMERA FUSION
PROTEIN)		 1s9i DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 2
(Homo
sapiens) 		7 / 11 GLY A  79
VAL A  86
ALA A  99
MET A 147
SER A 154
LEU A 201
ASP A 212
 ATP  A 535 ( 3.9A)
ATP  A 535 (-4.1A)
ATP  A 535 (-3.6A)
ATP  A 535 ( 3.4A)
ATP  A 535 (-2.6A)
ATP  A 535 (-4.8A)
MG  A 536 (-3.3A)
 0.80A 2evaA-1s9iA:
14.8		 2evaA-1s9iA:
29.19
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.
2FUM_A_MIXA539_1
(PROBABLE
SERINE/THREONINE-PRO
TEIN KINASE PKNB)		 1s9i DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 2
(Homo
sapiens) 		7 / 12 LEU A  78
GLY A  79
VAL A  86
ALA A  99
ASP A 194
LYS A 196
ASN A 199
 ATP  A 535 (-3.9A)
ATP  A 535 ( 3.9A)
ATP  A 535 (-4.1A)
ATP  A 535 (-3.6A)
ATP  A 535 ( 3.4A)
ATP  A 535 (-2.7A)
MG  A 536 (-2.8A)
 0.90A 2fumA-1s9iA:
9.0		 2fumA-1s9iA:
26.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2FUM_C_MIXC2539_1
(PROBABLE
SERINE/THREONINE-PRO
TEIN KINASE PKNB)		 1s9i DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 2
(Homo
sapiens) 		6 / 12 LEU A  78
VAL A  86
ALA A  99
MET A 147
ASN A 199
ASP A 212
 ATP  A 535 (-3.9A)
ATP  A 535 (-4.1A)
ATP  A 535 (-3.6A)
ATP  A 535 ( 3.4A)
MG  A 536 (-2.8A)
MG  A 536 (-3.3A)
 0.76A 2fumC-1s9iA:
20.5		 2fumC-1s9iA:
26.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2FUM_D_MIXD3539_1
(PROBABLE
SERINE/THREONINE-PRO
TEIN KINASE PKNB)		 1s9i DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 2
(Homo
sapiens) 		8 / 12 LEU A  78
GLY A  79
GLY A  81
VAL A  86
ALA A  99
MET A 147
LYS A 196
ASN A 199
 ATP  A 535 (-3.9A)
ATP  A 535 ( 3.9A)
ATP  A 535 (-3.8A)
ATP  A 535 (-4.1A)
ATP  A 535 (-3.6A)
ATP  A 535 ( 3.4A)
ATP  A 535 (-2.7A)
MG  A 536 (-2.8A)
 1.13A 2fumD-1s9iA:
20.6		 2fumD-1s9iA:
26.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2FUM_D_MIXD3539_1
(PROBABLE
SERINE/THREONINE-PRO
TEIN KINASE PKNB)		 1s9i DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 2
(Homo
sapiens) 		7 / 12 LEU A  78
VAL A  86
ALA A  99
MET A 147
LYS A 196
ASN A 199
ASP A 212
 ATP  A 535 (-3.9A)
ATP  A 535 (-4.1A)
ATP  A 535 (-3.6A)
ATP  A 535 ( 3.4A)
ATP  A 535 (-2.7A)
MG  A 536 (-2.8A)
MG  A 536 (-3.3A)
 0.90A 2fumD-1s9iA:
20.6		 2fumD-1s9iA:
26.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2GQG_B_1N1B502_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 1s9i DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 2
(Homo
sapiens) 		7 / 12 LEU A  78
VAL A  86
ALA A  99
VAL A 131
ILE A 145
GLY A 153
LEU A 201
 ATP  A 535 (-3.9A)
ATP  A 535 (-4.1A)
ATP  A 535 (-3.6A)
5EA  A1001 (-4.5A)
5EA  A1001 ( 3.7A)
ATP  A 535 ( 4.7A)
ATP  A 535 (-4.8A)
 0.53A 2gqgB-1s9iA:
15.0		 2gqgB-1s9iA:
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.
2XP2_A_VGHA9000_1
(TYROSINE-PROTEIN
KINASE RECEPTOR)		 1s9i DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 2
(Homo
sapiens) 		6 / 9 LEU A  78
VAL A  86
ALA A  99
MET A 150
GLY A 153
LEU A 201
 ATP  A 535 (-3.9A)
ATP  A 535 (-4.1A)
ATP  A 535 (-3.6A)
None
ATP  A 535 ( 4.7A)
ATP  A 535 (-4.8A)
 0.46A 2xp2A-1s9iA:
8.1		 2xp2A-1s9iA:
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.
2YFX_A_VGHA9000_1
(TYROSINE-PROTEIN
KINASE RECEPTOR)		 1s9i DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 2
(Homo
sapiens) 		6 / 8 LEU A  78
ALA A  99
MET A 147
MET A 150
GLY A 153
LEU A 201
 ATP  A 535 (-3.9A)
ATP  A 535 (-3.6A)
ATP  A 535 ( 3.4A)
None
ATP  A 535 ( 4.7A)
ATP  A 535 (-4.8A)
 0.53A 2yfxA-1s9iA:
16.7		 2yfxA-1s9iA:
25.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZVA_A_1N1A513_1
(TYROSINE-PROTEIN
KINASE LYN)		 1s9i DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 2
(Homo
sapiens) 		7 / 12 ALA A  99
LYS A 101
VAL A 131
ILE A 145
MET A 150
GLY A 153
LEU A 201
 ATP  A 535 (-3.6A)
ATP  A 535 ( 2.5A)
5EA  A1001 (-4.5A)
5EA  A1001 ( 3.7A)
None
ATP  A 535 ( 4.7A)
ATP  A 535 (-4.8A)
 0.75A 2zvaA-1s9iA:
17.0		 2zvaA-1s9iA:
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.
2ZVA_A_1N1A513_1
(TYROSINE-PROTEIN
KINASE LYN)		 1s9i DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 2
(Homo
sapiens) 		7 / 12 LEU A  78
ALA A  99
VAL A 131
ILE A 145
MET A 150
GLY A 153
LEU A 201
 ATP  A 535 (-3.9A)
ATP  A 535 (-3.6A)
5EA  A1001 (-4.5A)
5EA  A1001 ( 3.7A)
None
ATP  A 535 ( 4.7A)
ATP  A 535 (-4.8A)
 0.57A 2zvaA-1s9iA:
17.0		 2zvaA-1s9iA:
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.
2ZZA_A_FOLA164_0
(DIHYDROFOLATE
REDUCTASE)		 1s9i DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 2
(Homo
sapiens) 		5 / 12 ILE A 175
MET A 253
LEU A 181
ILE A 200
THR A 364
 None
 1.30A 2zzaA-1s9iA:
undetectable		 2zzaA-1s9iA:
18.86
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.
3AOX_A_EMHA901_1
(ALK TYROSINE KINASE
RECEPTOR)		 1s9i DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 2
(Homo
sapiens) 		7 / 10 LEU A  78
ALA A  99
LYS A 101
VAL A 131
MET A 150
GLY A 153
LEU A 201
 ATP  A 535 (-3.9A)
ATP  A 535 (-3.6A)
ATP  A 535 ( 2.5A)
5EA  A1001 (-4.5A)
None
ATP  A 535 ( 4.7A)
ATP  A 535 (-4.8A)
 0.83A 3aoxA-1s9iA:
21.7		 3aoxA-1s9iA:
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.
3BBT_B_FMMB91_1
(RECEPTOR
TYROSINE-PROTEIN
KINASE ERBB-4)		 1s9i DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 2
(Homo
sapiens) 		6 / 12 VAL A  86
ALA A  99
GLY A 153
LEU A 201
ASP A 212
PHE A 213
 ATP  A 535 (-4.1A)
ATP  A 535 (-3.6A)
ATP  A 535 ( 4.7A)
ATP  A 535 (-4.8A)
MG  A 536 (-3.3A)
5EA  A1001 (-3.6A)
 0.29A 3bbtB-1s9iA:
24.3		 3bbtB-1s9iA:
25.91
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.
3BBT_D_FMMD91_1
(RECEPTOR
TYROSINE-PROTEIN
KINASE ERBB-4)		 1s9i DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 2
(Homo
sapiens) 		7 / 12 VAL A  86
ALA A  99
LYS A 101
GLY A 153
LEU A 201
ASP A 212
PHE A 213
 ATP  A 535 (-4.1A)
ATP  A 535 (-3.6A)
ATP  A 535 ( 2.5A)
ATP  A 535 ( 4.7A)
ATP  A 535 (-4.8A)
MG  A 536 (-3.3A)
5EA  A1001 (-3.6A)
 0.41A 3bbtD-1s9iA:
17.1		 3bbtD-1s9iA:
25.91
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.
3C7Q_A_XINA1172_1
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)		 1s9i DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 2
(Homo
sapiens) 		7 / 12 LEU A  78
GLY A  79
ALA A  99
LYS A 101
GLY A 153
LEU A 201
CYH A 211
 ATP  A 535 (-3.9A)
ATP  A 535 ( 3.9A)
ATP  A 535 (-3.6A)
ATP  A 535 ( 2.5A)
ATP  A 535 ( 4.7A)
ATP  A 535 (-4.8A)
ATP  A 535 ( 4.5A)
 0.83A 3c7qA-1s9iA:
21.1		 3c7qA-1s9iA:
23.62
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.
3C7Q_A_XINA1172_1
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)		 1s9i DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 2
(Homo
sapiens) 		7 / 12 LEU A  78
GLY A  79
ALA A  99
VAL A 131
GLY A 153
LEU A 201
CYH A 211
 ATP  A 535 (-3.9A)
ATP  A 535 ( 3.9A)
ATP  A 535 (-3.6A)
5EA  A1001 (-4.5A)
ATP  A 535 ( 4.7A)
ATP  A 535 (-4.8A)
ATP  A 535 ( 4.5A)
 0.67A 3c7qA-1s9iA:
21.1		 3c7qA-1s9iA:
23.62
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.
3CS9_B_NILB600_2
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 1s9i DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 2
(Homo
sapiens) 		5 / 9 LEU A  78
VAL A  86
VAL A 131
ILE A 145
LEU A 201
 ATP  A 535 (-3.9A)
ATP  A 535 (-4.1A)
5EA  A1001 (-4.5A)
5EA  A1001 ( 3.7A)
ATP  A 535 (-4.8A)
 0.88A 3cs9B-1s9iA:
22.1		 3cs9B-1s9iA:
23.69
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.
3CS9_C_NILC600_2
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 1s9i DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 2
(Homo
sapiens) 		5 / 9 LEU A  78
VAL A  86
LYS A 101
VAL A 131
ILE A 145
 ATP  A 535 (-3.9A)
ATP  A 535 (-4.1A)
ATP  A 535 ( 2.5A)
5EA  A1001 (-4.5A)
5EA  A1001 ( 3.7A)
 0.78A 3cs9C-1s9iA:
7.8		 3cs9C-1s9iA:
23.69
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.
3EYG_A_MI1A1_1
(TYROSINE-PROTEIN
KINASE)		 1s9i DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 2
(Homo
sapiens) 		9 / 12 LEU A  78
GLY A  79
GLY A  81
GLY A  84
VAL A  86
ALA A  99
LYS A 101
MET A 147
LEU A 201
 ATP  A 535 (-3.9A)
ATP  A 535 ( 3.9A)
ATP  A 535 (-3.8A)
ATP  A 535 ( 4.4A)
ATP  A 535 (-4.1A)
ATP  A 535 (-3.6A)
ATP  A 535 ( 2.5A)
ATP  A 535 ( 3.4A)
ATP  A 535 (-4.8A)
 0.85A 3eygA-1s9iA:
15.5		 3eygA-1s9iA:
26.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3FUP_A_MI1A1_1
(TYROSINE-PROTEIN
KINASE JAK2)		 1s9i DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 2
(Homo
sapiens) 		8 / 12 LEU A  78
GLY A  79
GLY A  81
GLY A  84
VAL A  86
ALA A  99
LYS A 101
MET A 147
 ATP  A 535 (-3.9A)
ATP  A 535 ( 3.9A)
ATP  A 535 (-3.8A)
ATP  A 535 ( 4.4A)
ATP  A 535 (-4.1A)
ATP  A 535 (-3.6A)
ATP  A 535 ( 2.5A)
ATP  A 535 ( 3.4A)
 0.66A 3fupA-1s9iA:
22.7		 3fupA-1s9iA:
28.09
Potential target for repurposing, i.e. matched protein structure has less than 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)		 1s9i DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 2
(Homo
sapiens) 		8 / 12 LEU A  78
GLY A  79
GLY A  81
GLY A  84
VAL A  86
ALA A  99
MET A 147
LEU A 201
 ATP  A 535 (-3.9A)
ATP  A 535 ( 3.9A)
ATP  A 535 (-3.8A)
ATP  A 535 ( 4.4A)
ATP  A 535 (-4.1A)
ATP  A 535 (-3.6A)
ATP  A 535 ( 3.4A)
ATP  A 535 (-4.8A)
 0.77A 3fupA-1s9iA:
22.7		 3fupA-1s9iA:
28.09
Potential target for repurposing, i.e. matched protein structure has less than 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)		 1s9i DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 2
(Homo
sapiens) 		7 / 11 LEU A  78
VAL A  86
ALA A  99
VAL A 131
GLY A 153
LEU A 201
CYH A 211
 ATP  A 535 (-3.9A)
ATP  A 535 (-4.1A)
ATP  A 535 (-3.6A)
5EA  A1001 (-4.5A)
ATP  A 535 ( 4.7A)
ATP  A 535 (-4.8A)
ATP  A 535 ( 4.5A)
 0.79A 3g0eA-1s9iA:
21.0		 3g0eA-1s9iA:
25.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3G0F_A_B49A9001_1
(MAST/STEM CELL
GROWTH FACTOR
RECEPTOR)		 1s9i DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 2
(Homo
sapiens) 		6 / 11 LEU A  78
VAL A  86
ALA A  99
GLY A 153
LEU A 201
CYH A 211
 ATP  A 535 (-3.9A)
ATP  A 535 (-4.1A)
ATP  A 535 (-3.6A)
ATP  A 535 ( 4.7A)
ATP  A 535 (-4.8A)
ATP  A 535 ( 4.5A)
 0.74A 3g0fA-1s9iA:
20.9		 3g0fA-1s9iA:
25.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3G0F_B_B49B9001_1
(MAST/STEM CELL
GROWTH FACTOR
RECEPTOR)		 1s9i DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 2
(Homo
sapiens) 		6 / 10 LEU A  78
VAL A  86
ALA A  99
GLY A 153
LEU A 201
CYH A 211
 ATP  A 535 (-3.9A)
ATP  A 535 (-4.1A)
ATP  A 535 (-3.6A)
ATP  A 535 ( 4.7A)
ATP  A 535 (-4.8A)
ATP  A 535 ( 4.5A)
 0.63A 3g0fB-1s9iA:
12.2		 3g0fB-1s9iA:
25.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3G5D_A_1N1A1_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		 1s9i DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 2
(Homo
sapiens) 		7 / 12 LEU A  78
VAL A  86
ALA A  99
VAL A 131
ILE A 145
GLY A 153
LEU A 201
 ATP  A 535 (-3.9A)
ATP  A 535 (-4.1A)
ATP  A 535 (-3.6A)
5EA  A1001 (-4.5A)
5EA  A1001 ( 3.7A)
ATP  A 535 ( 4.7A)
ATP  A 535 (-4.8A)
 0.55A 3g5dA-1s9iA:
7.5		 3g5dA-1s9iA:
26.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KK6_A_CELA701_1
(PROSTAGLANDIN G/H
SYNTHASE 1)		 1s9i DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 2
(Homo
sapiens) 		6 / 12 VAL A 195
LEU A 210
SER A 245
ILE A 250
GLY A 254
SER A 256
 None
 1.18A 3kk6A-1s9iA:
undetectable		 3kk6A-1s9iA:
21.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KK6_B_CELB1701_1
(PROSTAGLANDIN G/H
SYNTHASE 1)		 1s9i DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 2
(Homo
sapiens) 		5 / 12 LEU A 210
SER A 245
ILE A 250
GLY A 254
SER A 256
 None
 1.13A 3kk6B-1s9iA:
0.1		 3kk6B-1s9iA:
21.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KK6_B_CELB1701_1
(PROSTAGLANDIN G/H
SYNTHASE 1)		 1s9i DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 2
(Homo
sapiens) 		5 / 12 VAL A 195
LEU A 210
SER A 245
ILE A 250
GLY A 254
 None
 1.18A 3kk6B-1s9iA:
0.1		 3kk6B-1s9iA:
21.49
Potential target for repurposing, i.e. matched protein structure has less than 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)		 1s9i DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 2
(Homo
sapiens) 		7 / 12 LEU A  78
GLY A  79
VAL A  86
ALA A  99
LYS A 101
VAL A 131
MET A 147
 ATP  A 535 (-3.9A)
ATP  A 535 ( 3.9A)
ATP  A 535 (-4.1A)
ATP  A 535 (-3.6A)
ATP  A 535 ( 2.5A)
5EA  A1001 (-4.5A)
ATP  A 535 ( 3.4A)
 0.80A 3lxkA-1s9iA:
9.5		 3lxkA-1s9iA:
27.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MIY_A_B49A1_1
(TYROSINE-PROTEIN
KINASE ITK/TSK)		 1s9i DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 2
(Homo
sapiens) 		6 / 11 ALA A  99
VAL A 131
MET A 150
GLY A 153
LEU A 201
ASP A 212
 ATP  A 535 (-3.6A)
5EA  A1001 (-4.5A)
None
ATP  A 535 ( 4.7A)
ATP  A 535 (-4.8A)
MG  A 536 (-3.3A)
 0.72A 3miyA-1s9iA:
10.2		 3miyA-1s9iA:
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.
3MIY_B_B49B2_1
(TYROSINE-PROTEIN
KINASE ITK/TSK)		 1s9i DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 2
(Homo
sapiens) 		5 / 9 ALA A  99
LYS A 101
MET A 150
GLY A 153
LEU A 201
 ATP  A 535 (-3.6A)
ATP  A 535 ( 2.5A)
None
ATP  A 535 ( 4.7A)
ATP  A 535 (-4.8A)
 0.62A 3miyB-1s9iA:
23.4		 3miyB-1s9iA:
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.
3MSS_D_STID1_2
(TYROSINE-PROTEIN
KINASE ABL1)		 1s9i DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 2
(Homo
sapiens) 		5 / 6 VAL A  86
LYS A 101
VAL A 215
VAL A 131
ILE A 145
 ATP  A 535 (-4.1A)
ATP  A 535 ( 2.5A)
5EA  A1001 (-3.9A)
5EA  A1001 (-4.5A)
5EA  A1001 ( 3.7A)
 1.19A 3mssD-1s9iA:
21.4		 3mssD-1s9iA:
25.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3N8Y_A_DIFA701_1
(PROSTAGLANDIN G/H
SYNTHASE 1)		 1s9i DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 2
(Homo
sapiens) 		5 / 11 VAL A 177
LEU A 181
ILE A 250
SER A 256
LEU A 257
 None
 1.11A 3n8yA-1s9iA:
undetectable		 3n8yA-1s9iA:
21.49
Potential target for repurposing, i.e. matched protein structure has less than 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)		 1s9i DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 2
(Homo
sapiens) 		7 / 12 LEU A  78
VAL A  86
ALA A  99
LYS A 101
VAL A 131
GLY A 153
LEU A 201
 ATP  A 535 (-3.9A)
ATP  A 535 (-4.1A)
ATP  A 535 (-3.6A)
ATP  A 535 ( 2.5A)
5EA  A1001 (-4.5A)
ATP  A 535 ( 4.7A)
ATP  A 535 (-4.8A)
 0.65A 3octA-1s9iA:
22.3		 3octA-1s9iA:
24.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3PP1_A_ACTA590_0
(DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 1)		 1s9i DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 2
(Homo
sapiens) 		4 / 5 LEU A  67
GLN A 120
HIS A 123
GLY A 135
 None
 0.54A 3pp1A-1s9iA:
42.4		 3pp1A-1s9iA:
80.23
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.
3SXR_A_1N1A1_1
(CYTOPLASMIC
TYROSINE-PROTEIN
KINASE BMX)		 1s9i DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 2
(Homo
sapiens) 		7 / 12 LEU A  78
VAL A  86
ALA A  99
VAL A 131
ILE A 145
GLY A 153
LEU A 201
 ATP  A 535 (-3.9A)
ATP  A 535 (-4.1A)
ATP  A 535 (-3.6A)
5EA  A1001 (-4.5A)
5EA  A1001 ( 3.7A)
ATP  A 535 ( 4.7A)
ATP  A 535 (-4.8A)
 0.48A 3sxrA-1s9iA:
21.9		 3sxrA-1s9iA:
24.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SXR_B_1N1B2_1
(CYTOPLASMIC
TYROSINE-PROTEIN
KINASE BMX)		 1s9i DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 2
(Homo
sapiens) 		6 / 12 LEU A  78
VAL A  86
ALA A  99
VAL A 131
GLY A 153
LEU A 201
 ATP  A 535 (-3.9A)
ATP  A 535 (-4.1A)
ATP  A 535 (-3.6A)
5EA  A1001 (-4.5A)
ATP  A 535 ( 4.7A)
ATP  A 535 (-4.8A)
 0.49A 3sxrB-1s9iA:
21.6		 3sxrB-1s9iA:
24.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3T3Q_C_9PLC501_1
(CYTOCHROME P450 2A6)		 1s9i DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 2
(Homo
sapiens) 		5 / 10 PHE A 338
PHE A 342
VAL A 258
ILE A 278
PHE A 279
 None
 1.47A 3t3qC-1s9iA:
undetectable		 3t3qC-1s9iA:
22.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3T3Q_D_9PLD501_1
(CYTOCHROME P450 2A6)		 1s9i DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 2
(Homo
sapiens) 		5 / 10 PHE A 338
PHE A 342
VAL A 258
ILE A 278
PHE A 279
 None
 1.48A 3t3qD-1s9iA:
undetectable		 3t3qD-1s9iA:
22.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3T3S_C_9PLC1_1
(CYTOCHROME P450 2A13)		 1s9i DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 2
(Homo
sapiens) 		4 / 7 PHE A 137
PHE A  72
THR A  87
LEU A 102
 None
 0.96A 3t3sC-1s9iA:
0.0		 3t3sC-1s9iA:
22.49
Potential target for repurposing, i.e. matched protein structure has less than 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)		 1s9i DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 2
(Homo
sapiens) 		8 / 12 LEU A  78
ALA A  99
LYS A 101
VAL A 131
ILE A 145
MET A 150
GLY A 153
LEU A 201
 ATP  A 535 (-3.9A)
ATP  A 535 (-3.6A)
ATP  A 535 ( 2.5A)
5EA  A1001 (-4.5A)
5EA  A1001 ( 3.7A)
None
ATP  A 535 ( 4.7A)
ATP  A 535 (-4.8A)
 0.62A 3ue4A-1s9iA:
6.9		 3ue4A-1s9iA:
24.72
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.
3UE4_B_DB8B601_1
(TYROSINE-PROTEIN
KINASE ABL1)		 1s9i DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 2
(Homo
sapiens) 		7 / 12 LEU A  78
VAL A  86
ALA A  99
VAL A 131
ILE A 145
GLY A 153
LEU A 201
 ATP  A 535 (-3.9A)
ATP  A 535 (-4.1A)
ATP  A 535 (-3.6A)
5EA  A1001 (-4.5A)
5EA  A1001 ( 3.7A)
ATP  A 535 ( 4.7A)
ATP  A 535 (-4.8A)
 0.63A 3ue4B-1s9iA:
22.4		 3ue4B-1s9iA:
24.72
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.
3WZD_A_LEVA1201_1
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)		 1s9i DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 2
(Homo
sapiens) 		6 / 12 LEU A  78
VAL A  86
ALA A  99
GLY A 153
CYH A 211
PHE A 213
 ATP  A 535 (-3.9A)
ATP  A 535 (-4.1A)
ATP  A 535 (-3.6A)
ATP  A 535 ( 4.7A)
ATP  A 535 ( 4.5A)
5EA  A1001 (-3.6A)
 0.67A 3wzdA-1s9iA:
16.8		 3wzdA-1s9iA:
24.86
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.
4AGD_A_B49A2000_1
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)		 1s9i DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 2
(Homo
sapiens) 		6 / 11 LEU A  78
ALA A  99
LYS A 101
GLY A 153
LEU A 201
CYH A 211
 ATP  A 535 (-3.9A)
ATP  A 535 (-3.6A)
ATP  A 535 ( 2.5A)
ATP  A 535 ( 4.7A)
ATP  A 535 (-4.8A)
ATP  A 535 ( 4.5A)
 1.01A 4agdA-1s9iA:
21.0		 4agdA-1s9iA:
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.
4AGD_A_B49A2000_1
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)		 1s9i DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 2
(Homo
sapiens) 		6 / 11 LEU A  78
ALA A  99
VAL A 131
GLY A 153
LEU A 201
CYH A 211
 ATP  A 535 (-3.9A)
ATP  A 535 (-3.6A)
5EA  A1001 (-4.5A)
ATP  A 535 ( 4.7A)
ATP  A 535 (-4.8A)
ATP  A 535 ( 4.5A)
 0.84A 4agdA-1s9iA:
21.0		 4agdA-1s9iA:
25.00
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)		 1s9i DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 2
(Homo
sapiens) 		11 / 12 LYS A 101
LEU A 119
LEU A 122
ILE A 145
MET A 147
ASP A 194
LYS A 196
ASN A 199
ASP A 212
GLY A 214
VAL A 215
 ATP  A 535 ( 2.5A)
5EA  A1001 (-4.9A)
5EA  A1001 (-4.9A)
5EA  A1001 ( 3.7A)
ATP  A 535 ( 3.4A)
ATP  A 535 ( 3.4A)
ATP  A 535 (-2.7A)
MG  A 536 (-2.8A)
MG  A 536 (-3.3A)
5EA  A1001 (-3.6A)
5EA  A1001 (-3.9A)
 0.47A 4an2A-1s9iA:
39.5		 4an2A-1s9iA:
74.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ANQ_A_VGHA9000_1
(ALK TYROSINE KINASE
RECEPTOR)		 1s9i DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 2
(Homo
sapiens) 		6 / 9 LEU A  78
VAL A  86
ALA A  99
MET A 150
GLY A 153
LEU A 201
 ATP  A 535 (-3.9A)
ATP  A 535 (-4.1A)
ATP  A 535 (-3.6A)
None
ATP  A 535 ( 4.7A)
ATP  A 535 (-4.8A)
 0.46A 4anqA-1s9iA:
21.9		 4anqA-1s9iA:
24.88
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)		 1s9i DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 2
(Homo
sapiens) 		7 / 9 LEU A  78
VAL A  86
ALA A  99
MET A 147
MET A 150
GLY A 153
LEU A 201
 ATP  A 535 (-3.9A)
ATP  A 535 (-4.1A)
ATP  A 535 (-3.6A)
ATP  A 535 ( 3.4A)
None
ATP  A 535 ( 4.7A)
ATP  A 535 (-4.8A)
 0.53A 4ansA-1s9iA:
21.8		 4ansA-1s9iA:
25.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CKI_A_ADNA2022_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE RECEPTOR RET)		 1s9i DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 2
(Homo
sapiens) 		7 / 11 LEU A  78
GLY A  79
VAL A  86
ALA A  99
GLY A 153
SER A 154
LEU A 201
 ATP  A 535 (-3.9A)
ATP  A 535 ( 3.9A)
ATP  A 535 (-4.1A)
ATP  A 535 (-3.6A)
ATP  A 535 ( 4.7A)
ATP  A 535 (-2.6A)
ATP  A 535 (-4.8A)
 0.57A 4ckiA-1s9iA:
17.0		 4ckiA-1s9iA:
26.26
Potential target for repurposing, i.e. matched protein structure has less than 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)		 1s9i DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 2
(Homo
sapiens) 		8 / 12 LEU A  78
VAL A  86
ALA A  99
LYS A 101
MET A 150
GLY A 153
LEU A 201
ASP A 212
 ATP  A 535 (-3.9A)
ATP  A 535 (-4.1A)
ATP  A 535 (-3.6A)
ATP  A 535 ( 2.5A)
None
ATP  A 535 ( 4.7A)
ATP  A 535 (-4.8A)
MG  A 536 (-3.3A)
 0.52A 4hjoA-1s9iA:
9.1		 4hjoA-1s9iA:
26.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K50_I_ACTI507_0
(RNA POLYMERASE
3D-POL)		 1s9i DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 2
(Homo
sapiens) 		3 / 3 LYS A 196
PRO A 197
SER A 198
 ATP  A 535 (-2.7A)
None
ATP  A 535 (-3.1A)
 0.44A 4k50I-1s9iA:
0.0		 4k50I-1s9iA:
22.84
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.
4KR3_A_GLYA701_0
(GLYCINE--TRNA LIGASE)		 1s9i DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 2
(Homo
sapiens) 		4 / 6 GLU A 167
GLU A 168
ARG A 371
GLU A 375
 None
 1.39A 4kr3A-1s9iA:
undetectable		 4kr3A-1s9iA:
20.18
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.
4L9I_A_8PRA601_1
(RHODOPSIN KINASE)		 1s9i DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 2
(Homo
sapiens) 		4 / 7 VAL A  86
ALA A  99
MET A 147
MET A 150
 ATP  A 535 (-4.1A)
ATP  A 535 (-3.6A)
ATP  A 535 ( 3.4A)
None
 0.79A 4l9iA-1s9iA:
8.1		 4l9iA-1s9iA:
20.08
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.
4L9I_A_8PRA601_1
(RHODOPSIN KINASE)		 1s9i DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 2
(Homo
sapiens) 		4 / 7 VAL A  86
ALA A  99
MET A 150
LEU A 201
 ATP  A 535 (-4.1A)
ATP  A 535 (-3.6A)
None
ATP  A 535 (-4.8A)
 0.60A 4l9iA-1s9iA:
8.1		 4l9iA-1s9iA:
20.08
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.
4L9I_B_8PRB601_1
(RHODOPSIN KINASE)		 1s9i DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 2
(Homo
sapiens) 		5 / 8 GLY A  81
VAL A  86
ALA A  99
MET A 147
LEU A 201
 ATP  A 535 (-3.8A)
ATP  A 535 (-4.1A)
ATP  A 535 (-3.6A)
ATP  A 535 ( 3.4A)
ATP  A 535 (-4.8A)
 0.77A 4l9iB-1s9iA:
23.0		 4l9iB-1s9iA:
20.08
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.
4L9I_B_8PRB601_1
(RHODOPSIN KINASE)		 1s9i DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 2
(Homo
sapiens) 		6 / 8 VAL A  86
ALA A  99
LYS A 101
MET A 147
MET A 150
LEU A 201
 ATP  A 535 (-4.1A)
ATP  A 535 (-3.6A)
ATP  A 535 ( 2.5A)
ATP  A 535 ( 3.4A)
None
ATP  A 535 (-4.8A)
 0.94A 4l9iB-1s9iA:
23.0		 4l9iB-1s9iA:
20.08
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)		 1s9i DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 2
(Homo
sapiens) 		12 / 12 LYS A 101
LEU A 119
LEU A 122
ILE A 145
MET A 147
ASN A 199
ASP A 212
PHE A 213
GLY A 214
SER A 216
LEU A 219
MET A 223
 ATP  A 535 ( 2.5A)
5EA  A1001 (-4.9A)
5EA  A1001 (-4.9A)
5EA  A1001 ( 3.7A)
ATP  A 535 ( 3.4A)
MG  A 536 (-2.8A)
MG  A 536 (-3.3A)
5EA  A1001 (-3.6A)
5EA  A1001 (-3.6A)
5EA  A1001 (-4.5A)
5EA  A1001 ( 3.9A)
5EA  A1001 (-4.2A)
 0.44A 4lmnA-1s9iA:
33.0		 4lmnA-1s9iA:
82.54
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.
4MJQ_A_27RA401_1
(DNA POLYMERASE III
SUBUNIT BETA)		 1s9i DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 2
(Homo
sapiens) 		4 / 5 ARG A 231
TYR A 233
PRO A 197
VAL A 158
 None
 1.45A 4mjqA-1s9iA:
0.0		 4mjqA-1s9iA:
21.60
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.
4MXX_B_DB8B601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		 1s9i DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 2
(Homo
sapiens) 		8 / 12 LEU A  78
VAL A  86
ALA A  99
LYS A 101
VAL A 131
MET A 150
GLY A 153
LEU A 201
 ATP  A 535 (-3.9A)
ATP  A 535 (-4.1A)
ATP  A 535 (-3.6A)
ATP  A 535 ( 2.5A)
5EA  A1001 (-4.5A)
None
ATP  A 535 ( 4.7A)
ATP  A 535 (-4.8A)
 0.68A 4mxxB-1s9iA:
5.7		 4mxxB-1s9iA:
26.87
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.
4O0S_A_ADNA500_1
(AURORA KINASE A)		 1s9i DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 2
(Homo
sapiens) 		7 / 11 LEU A  78
GLY A  79
VAL A  86
ALA A  99
LYS A 101
LEU A 201
ASP A 212
 ATP  A 535 (-3.9A)
ATP  A 535 ( 3.9A)
ATP  A 535 (-4.1A)
ATP  A 535 (-3.6A)
ATP  A 535 ( 2.5A)
ATP  A 535 (-4.8A)
MG  A 536 (-3.3A)
 0.98A 4o0sA-1s9iA:
25.4		 4o0sA-1s9iA:
26.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4O0U_A_ADNA501_1
(AURORA KINASE A)		 1s9i DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 2
(Homo
sapiens) 		4 / 6 VAL A  86
ALA A  99
LYS A 101
LEU A 201
 ATP  A 535 (-4.1A)
ATP  A 535 (-3.6A)
ATP  A 535 ( 2.5A)
ATP  A 535 (-4.8A)
 0.55A 4o0uA-1s9iA:
8.8		 4o0uA-1s9iA:
26.67
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.
4O1Z_A_MXMA807_1
(PROSTAGLANDIN G/H
SYNTHASE 1)		 1s9i DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 2
(Homo
sapiens) 		6 / 12 ILE A 200
VAL A 177
LEU A 178
ILE A 369
LEU A 170
LEU A 260
 None
 1.23A 4o1zA-1s9iA:
undetectable		 4o1zA-1s9iA:
20.97
Potential target for repurposing, i.e. matched protein structure has less than 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_2
(FIBROBLAST GROWTH
FACTOR RECEPTOR 4)		 1s9i DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 2
(Homo
sapiens) 		4 / 8 LEU A  78
VAL A  86
HIS A 192
LEU A 201
 ATP  A 535 (-3.9A)
ATP  A 535 (-4.1A)
None
ATP  A 535 (-4.8A)
 0.61A 4qrcA-1s9iA:
16.5		 4qrcA-1s9iA:
26.00
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.
4U5J_B_RXTB601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		 1s9i DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 2
(Homo
sapiens) 		6 / 9 LEU A  78
VAL A  86
ALA A  99
MET A 150
GLY A 153
LEU A 201
 ATP  A 535 (-3.9A)
ATP  A 535 (-4.1A)
ATP  A 535 (-3.6A)
None
ATP  A 535 ( 4.7A)
ATP  A 535 (-4.8A)
 0.54A 4u5jB-1s9iA:
7.4		 4u5jB-1s9iA:
26.87
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.
4WA9_A_AXIA9000_1
(TYROSINE-PROTEIN
KINASE ABL1)		 1s9i DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 2
(Homo
sapiens) 		6 / 11 LEU A  78
ALA A  99
LYS A 101
MET A 150
GLY A 153
LEU A 201
 ATP  A 535 (-3.9A)
ATP  A 535 (-3.6A)
ATP  A 535 ( 2.5A)
None
ATP  A 535 ( 4.7A)
ATP  A 535 (-4.8A)
 0.94A 4wa9A-1s9iA:
20.4		 4wa9A-1s9iA:
24.72
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.
4WBO_C_ANWC601_0
(RHODOPSIN KINASE)		 1s9i DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 2
(Homo
sapiens) 		4 / 6 LEU A  78
ALA A  99
MET A 147
MET A 150
 ATP  A 535 (-3.9A)
ATP  A 535 (-3.6A)
ATP  A 535 ( 3.4A)
None
 0.74A 4wboC-1s9iA:
22.8		 4wboC-1s9iA:
21.14
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.
4WBO_C_ANWC601_0
(RHODOPSIN KINASE)		 1s9i DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 2
(Homo
sapiens) 		4 / 6 LEU A  78
ALA A  99
MET A 150
LEU A 201
 ATP  A 535 (-3.9A)
ATP  A 535 (-3.6A)
None
ATP  A 535 (-4.8A)
 0.51A 4wboC-1s9iA:
22.8		 4wboC-1s9iA:
21.14
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.
4XEY_A_1N1A601_1
(TYROSINE-PROTEIN
KINASE ABL1)		 1s9i DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 2
(Homo
sapiens) 		8 / 12 LEU A  78
VAL A  86
ALA A  99
LYS A 101
VAL A 131
ILE A 145
GLY A 153
LEU A 201
 ATP  A 535 (-3.9A)
ATP  A 535 (-4.1A)
ATP  A 535 (-3.6A)
ATP  A 535 ( 2.5A)
5EA  A1001 (-4.5A)
5EA  A1001 ( 3.7A)
ATP  A 535 ( 4.7A)
ATP  A 535 (-4.8A)
 0.61A 4xeyA-1s9iA:
22.7		 4xeyA-1s9iA:
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.
4XEY_B_1N1B601_1
(TYROSINE-PROTEIN
KINASE ABL1)		 1s9i DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 2
(Homo
sapiens) 		7 / 12 LEU A  78
VAL A  86
LYS A 101
VAL A 131
ILE A 145
GLY A 153
LEU A 201
 ATP  A 535 (-3.9A)
ATP  A 535 (-4.1A)
ATP  A 535 ( 2.5A)
5EA  A1001 (-4.5A)
5EA  A1001 ( 3.7A)
ATP  A 535 ( 4.7A)
ATP  A 535 (-4.8A)
 0.58A 4xeyB-1s9iA:
22.3		 4xeyB-1s9iA:
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.
4XEY_B_1N1B601_1
(TYROSINE-PROTEIN
KINASE ABL1)		 1s9i DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 2
(Homo
sapiens) 		7 / 12 VAL A  86
ALA A  99
LYS A 101
VAL A 131
ILE A 145
GLY A 153
LEU A 201
 ATP  A 535 (-4.1A)
ATP  A 535 (-3.6A)
ATP  A 535 ( 2.5A)
5EA  A1001 (-4.5A)
5EA  A1001 ( 3.7A)
ATP  A 535 ( 4.7A)
ATP  A 535 (-4.8A)
 0.49A 4xeyB-1s9iA:
22.3		 4xeyB-1s9iA:
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.
4ZAU_A_YY3A1101_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		 1s9i DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 2
(Homo
sapiens) 		6 / 8 LEU A  78
GLY A  79
VAL A  86
ALA A  99
MET A 150
GLY A 153
 ATP  A 535 (-3.9A)
ATP  A 535 ( 3.9A)
ATP  A 535 (-4.1A)
ATP  A 535 (-3.6A)
None
ATP  A 535 ( 4.7A)
 0.56A 4zauA-1s9iA:
21.3		 4zauA-1s9iA:
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.
5AAA_A_VGHA9000_1
(ALK TYROSINE KINASE
RECEPTOR)		 1s9i DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 2
(Homo
sapiens) 		6 / 9 LEU A  78
VAL A  86
ALA A  99
MET A 150
GLY A 153
LEU A 201
 ATP  A 535 (-3.9A)
ATP  A 535 (-4.1A)
ATP  A 535 (-3.6A)
None
ATP  A 535 ( 4.7A)
ATP  A 535 (-4.8A)
 0.49A 5aaaA-1s9iA:
22.1		 5aaaA-1s9iA:
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.
5AAB_A_VGHA9000_1
(ALK TYROSINE KINASE
RECEPTOR)		 1s9i DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 2
(Homo
sapiens) 		7 / 10 LEU A  78
VAL A  86
ALA A  99
LYS A 101
MET A 150
GLY A 153
LEU A 201
 ATP  A 535 (-3.9A)
ATP  A 535 (-4.1A)
ATP  A 535 (-3.6A)
ATP  A 535 ( 2.5A)
None
ATP  A 535 ( 4.7A)
ATP  A 535 (-4.8A)
 0.62A 5aabA-1s9iA:
22.1		 5aabA-1s9iA:
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.
5AAC_A_VGHA9000_1
(ALK TYROSINE KINASE
RECEPTOR)		 1s9i DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 2
(Homo
sapiens) 		7 / 10 LEU A  78
VAL A  86
ALA A  99
LYS A 101
MET A 150
GLY A 153
LEU A 201
 ATP  A 535 (-3.9A)
ATP  A 535 (-4.1A)
ATP  A 535 (-3.6A)
ATP  A 535 ( 2.5A)
None
ATP  A 535 ( 4.7A)
ATP  A 535 (-4.8A)
 0.55A 5aacA-1s9iA:
21.9		 5aacA-1s9iA:
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.
5H2U_A_1N1A501_1
(PROTEIN-TYROSINE
KINASE 6)		 1s9i DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 2
(Homo
sapiens) 		5 / 12 LEU A  78
VAL A  86
ALA A  99
GLY A 153
LEU A 201
 ATP  A 535 (-3.9A)
ATP  A 535 (-4.1A)
ATP  A 535 (-3.6A)
ATP  A 535 ( 4.7A)
ATP  A 535 (-4.8A)
 0.49A 5h2uA-1s9iA:
17.7		 5h2uA-1s9iA:
27.76
Potential target for repurposing, i.e. matched protein structure has less than 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_A_1N1A501_2
(PROTEIN-TYROSINE
KINASE 6)		 1s9i DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 2
(Homo
sapiens) 		3 / 3 ILE A 145
MET A 150
ASP A 212
 5EA  A1001 ( 3.7A)
None
MG  A 536 (-3.3A)
 0.73A 5h2uA-1s9iA:
17.7		 5h2uA-1s9iA:
27.76
Potential target for repurposing, i.e. matched protein structure has less than 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_B_1N1B501_1
(PROTEIN-TYROSINE
KINASE 6)		 1s9i DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 2
(Homo
sapiens) 		6 / 12 LEU A  78
VAL A  86
ALA A  99
ILE A 145
GLY A 153
LEU A 201
 ATP  A 535 (-3.9A)
ATP  A 535 (-4.1A)
ATP  A 535 (-3.6A)
5EA  A1001 ( 3.7A)
ATP  A 535 ( 4.7A)
ATP  A 535 (-4.8A)
 0.54A 5h2uB-1s9iA:
17.7		 5h2uB-1s9iA:
27.76
Potential target for repurposing, i.e. matched protein structure has less than 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_B_1N1B501_1
(PROTEIN-TYROSINE
KINASE 6)		 1s9i DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 2
(Homo
sapiens) 		6 / 12 VAL A  86
ALA A  99
ILE A 145
GLY A 153
LEU A 201
ASP A 212
 ATP  A 535 (-4.1A)
ATP  A 535 (-3.6A)
5EA  A1001 ( 3.7A)
ATP  A 535 ( 4.7A)
ATP  A 535 (-4.8A)
MG  A 536 (-3.3A)
 0.58A 5h2uB-1s9iA:
17.7		 5h2uB-1s9iA:
27.76
Potential target for repurposing, i.e. matched protein structure has less than 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)		 1s9i DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 2
(Homo
sapiens) 		5 / 12 ALA A  99
ILE A 145
GLY A 153
LEU A 201
ASP A 212
 ATP  A 535 (-3.6A)
5EA  A1001 ( 3.7A)
ATP  A 535 ( 4.7A)
ATP  A 535 (-4.8A)
MG  A 536 (-3.3A)
 0.56A 5h2uC-1s9iA:
17.8		 5h2uC-1s9iA:
27.76
Potential target for repurposing, i.e. matched protein structure has less than 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)		 1s9i DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 2
(Homo
sapiens) 		5 / 12 LEU A  78
ALA A  99
ILE A 145
GLY A 153
LEU A 201
 ATP  A 535 (-3.9A)
ATP  A 535 (-3.6A)
5EA  A1001 ( 3.7A)
ATP  A 535 ( 4.7A)
ATP  A 535 (-4.8A)
 0.52A 5h2uC-1s9iA:
17.8		 5h2uC-1s9iA:
27.76
Potential target for repurposing, i.e. matched protein structure has less than 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)		 1s9i DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 2
(Homo
sapiens) 		6 / 12 LEU A  78
VAL A  86
ALA A  99
ILE A 145
GLY A 153
LEU A 201
 ATP  A 535 (-3.9A)
ATP  A 535 (-4.1A)
ATP  A 535 (-3.6A)
5EA  A1001 ( 3.7A)
ATP  A 535 ( 4.7A)
ATP  A 535 (-4.8A)
 0.49A 5h2uD-1s9iA:
17.5		 5h2uD-1s9iA:
27.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HES_A_032A401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		 1s9i DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 2
(Homo
sapiens) 		5 / 12 VAL A  86
ALA A  99
ILE A 145
CYH A 211
PHE A 213
 ATP  A 535 (-4.1A)
ATP  A 535 (-3.6A)
5EA  A1001 ( 3.7A)
ATP  A 535 ( 4.5A)
5EA  A1001 (-3.6A)
 0.56A 5hesA-1s9iA:
8.3		 5hesA-1s9iA:
25.07
Potential target for repurposing, i.e. matched protein structure has less than 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)		 1s9i DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 2
(Homo
sapiens) 		5 / 12 GLY A  81
VAL A  86
ALA A  99
LYS A 101
ILE A 145
 ATP  A 535 (-3.8A)
ATP  A 535 (-4.1A)
ATP  A 535 (-3.6A)
ATP  A 535 ( 2.5A)
5EA  A1001 ( 3.7A)
 0.86A 5hieB-1s9iA:
9.0		 5hieB-1s9iA:
24.87
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.
5LW1_B_ADNB401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE 8)		 1s9i DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 2
(Homo
sapiens) 		5 / 9 GLY A  79
VAL A  86
ALA A  99
MET A 147
MET A 150
 ATP  A 535 ( 3.9A)
ATP  A 535 (-4.1A)
ATP  A 535 (-3.6A)
ATP  A 535 ( 3.4A)
None
 0.72A 5lw1B-1s9iA:
20.8		 5lw1B-1s9iA:
15.03
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.
5LW1_E_ADNE401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE 8)		 1s9i DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 2
(Homo
sapiens) 		5 / 10 GLY A  79
VAL A  86
ALA A  99
MET A 147
MET A 150
 ATP  A 535 ( 3.9A)
ATP  A 535 (-4.1A)
ATP  A 535 (-3.6A)
ATP  A 535 ( 3.4A)
None
 0.72A 5lw1E-1s9iA:
20.7		 5lw1E-1s9iA:
15.03
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.
5LW1_H_ADNH401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE 8)		 1s9i DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 2
(Homo
sapiens) 		5 / 9 GLY A  79
VAL A  86
ALA A  99
MET A 147
LEU A 201
 ATP  A 535 ( 3.9A)
ATP  A 535 (-4.1A)
ATP  A 535 (-3.6A)
ATP  A 535 ( 3.4A)
ATP  A 535 (-4.8A)
 1.01A 5lw1H-1s9iA:
11.6		 5lw1H-1s9iA:
15.03
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.
5LW1_H_ADNH401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE 8)		 1s9i DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 2
(Homo
sapiens) 		5 / 9 GLY A  79
VAL A  86
ALA A  99
MET A 147
MET A 150
 ATP  A 535 ( 3.9A)
ATP  A 535 (-4.1A)
ATP  A 535 (-3.6A)
ATP  A 535 ( 3.4A)
None
 0.57A 5lw1H-1s9iA:
11.6		 5lw1H-1s9iA:
15.03
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.
5MO4_A_NILA601_1
(TYROSINE-PROTEIN
KINASE ABL1)		 1s9i DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 2
(Homo
sapiens) 		5 / 10 LEU A  78
VAL A  86
ILE A 145
MET A 150
GLY A 153
 ATP  A 535 (-3.9A)
ATP  A 535 (-4.1A)
5EA  A1001 ( 3.7A)
None
ATP  A 535 ( 4.7A)
 0.59A 5mo4A-1s9iA:
5.9		 5mo4A-1s9iA:
20.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5P9I_A_1E8A701_1
(TYROSINE-PROTEIN
KINASE BTK)		 1s9i DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 2
(Homo
sapiens) 		7 / 12 VAL A  86
ALA A  99
LYS A 101
ILE A 145
GLY A 153
LEU A 201
PHE A 213
 ATP  A 535 (-4.1A)
ATP  A 535 (-3.6A)
ATP  A 535 ( 2.5A)
5EA  A1001 ( 3.7A)
ATP  A 535 ( 4.7A)
ATP  A 535 (-4.8A)
5EA  A1001 (-3.6A)
 0.83A 5p9iA-1s9iA:
5.7		 5p9iA-1s9iA:
24.31
Potential target for repurposing, i.e. matched protein structure has less than 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)		 1s9i DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 2
(Homo
sapiens) 		7 / 12 LEU A  78
GLY A  79
VAL A  86
ALA A  99
LYS A 101
LEU A 201
ASP A 212
 ATP  A 535 (-3.9A)
ATP  A 535 ( 3.9A)
ATP  A 535 (-4.1A)
ATP  A 535 (-3.6A)
ATP  A 535 ( 2.5A)
ATP  A 535 (-4.8A)
MG  A 536 (-3.3A)
 0.66A 5yu9A-1s9iA:
16.9		 5yu9A-1s9iA:
15.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5YU9_B_1E8B1101_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		 1s9i DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 2
(Homo
sapiens) 		6 / 12 GLY A  79
ALA A  99
LYS A 101
MET A 147
LEU A 201
ASP A 212
 ATP  A 535 ( 3.9A)
ATP  A 535 (-3.6A)
ATP  A 535 ( 2.5A)
ATP  A 535 ( 3.4A)
ATP  A 535 (-4.8A)
MG  A 536 (-3.3A)
 0.76A 5yu9B-1s9iA:
13.9		 5yu9B-1s9iA:
15.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5YU9_B_1E8B1101_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		 1s9i DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 2
(Homo
sapiens) 		6 / 12 GLY A  79
VAL A  86
ALA A  99
LYS A 101
LEU A 201
ASP A 212
 ATP  A 535 ( 3.9A)
ATP  A 535 (-4.1A)
ATP  A 535 (-3.6A)
ATP  A 535 ( 2.5A)
ATP  A 535 (-4.8A)
MG  A 536 (-3.3A)
 0.62A 5yu9B-1s9iA:
13.9		 5yu9B-1s9iA:
15.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5YU9_C_1E8C1101_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		 1s9i DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 2
(Homo
sapiens) 		5 / 12 ALA A  99
LYS A 101
MET A 147
GLY A 153
ASP A 212
 ATP  A 535 (-3.6A)
ATP  A 535 ( 2.5A)
ATP  A 535 ( 3.4A)
ATP  A 535 ( 4.7A)
MG  A 536 (-3.3A)
 0.74A 5yu9C-1s9iA:
16.0		 5yu9C-1s9iA:
15.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5YU9_C_1E8C1101_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		 1s9i DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 2
(Homo
sapiens) 		5 / 12 VAL A  86
ALA A  99
LYS A 101
GLY A 153
ASP A 212
 ATP  A 535 (-4.1A)
ATP  A 535 (-3.6A)
ATP  A 535 ( 2.5A)
ATP  A 535 ( 4.7A)
MG  A 536 (-3.3A)
 0.62A 5yu9C-1s9iA:
16.0		 5yu9C-1s9iA:
15.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5YU9_D_1E8D1101_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		 1s9i DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 2
(Homo
sapiens) 		6 / 12 VAL A  86
ALA A  99
LYS A 101
MET A 147
ASP A 156
LEU A 201
 ATP  A 535 (-4.1A)
ATP  A 535 (-3.6A)
ATP  A 535 ( 2.5A)
ATP  A 535 ( 3.4A)
None
ATP  A 535 (-4.8A)
 1.10A 5yu9D-1s9iA:
16.2		 5yu9D-1s9iA:
15.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5YU9_D_1E8D1101_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		 1s9i DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 2
(Homo
sapiens) 		7 / 12 VAL A  86
ALA A  99
LYS A 101
MET A 147
GLY A 153
LEU A 201
ASP A 212
 ATP  A 535 (-4.1A)
ATP  A 535 (-3.6A)
ATP  A 535 ( 2.5A)
ATP  A 535 ( 3.4A)
ATP  A 535 ( 4.7A)
ATP  A 535 (-4.8A)
MG  A 536 (-3.3A)
 0.77A 5yu9D-1s9iA:
16.2		 5yu9D-1s9iA:
15.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6BZO_C_FI8C1201_0
(DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA)		 1s9i DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 2
(Homo
sapiens) 		5 / 12 ILE A 369
VAL A 337
GLU A 168
VAL A 377
GLU A 376
 None
 1.15A 6bzoC-1s9iA:
undetectable		 6bzoC-1s9iA:
15.55
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.
6E43_A_BEZA502_0
(INDOLEAMINE
2,3-DIOXYGENASE 1)		 1s9i DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 2
(Homo
sapiens) 		4 / 6 PHE A 345
VAL A 177
LEU A 360
LEU A 363
 None
 0.61A 6e43A-1s9iA:
undetectable		 6e43A-1s9iA:
20.24
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.
6E43_B_BEZB502_0
(INDOLEAMINE
2,3-DIOXYGENASE 1)		 1s9i DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 2
(Homo
sapiens) 		4 / 6 PHE A 345
VAL A 177
LEU A 360
LEU A 363
 None
 0.58A 6e43B-1s9iA:
undetectable		 6e43B-1s9iA:
20.24
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.
6E43_C_BEZC502_0
(INDOLEAMINE
2,3-DIOXYGENASE 1)		 1s9i DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 2
(Homo
sapiens) 		4 / 6 PHE A 345
VAL A 177
LEU A 360
LEU A 363
 None
 0.62A 6e43C-1s9iA:
undetectable		 6e43C-1s9iA:
20.24
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.
6E43_D_BEZD502_0
(INDOLEAMINE
2,3-DIOXYGENASE 1)		 1s9i DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 2
(Homo
sapiens) 		4 / 6 PHE A 345
VAL A 177
LEU A 360
LEU A 363
 None
 0.64A 6e43D-1s9iA:
undetectable		 6e43D-1s9iA:
20.24
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.
6FNM_A_1N1A1001_1
(-)		 1s9i DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 2
(Homo
sapiens) 		7 / 12 VAL A  86
ALA A  99
LYS A 101
ILE A 145
MET A 150
GLY A 153
LEU A 201
 ATP  A 535 (-4.1A)
ATP  A 535 (-3.6A)
ATP  A 535 ( 2.5A)
5EA  A1001 ( 3.7A)
None
ATP  A 535 ( 4.7A)
ATP  A 535 (-4.8A)
 0.66A 6fnmA-1s9iA:
22.3		 6fnmA-1s9iA:
27.30