SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4af3'

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.
1FML_B_RTLB501_0
(RETINOL DEHYDRATASE)		 4af3 AURORA KINASE B
(Homo
sapiens) 		5 / 12 ILE A 216
LEU A 162
HIS A 198
LEU A 184
ILE A 180
 None
 1.08A 1fmlB-4af3A:
undetectable		 1fmlB-4af3A:
20.27
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.
1FML_B_RTLB501_0
(RETINOL DEHYDRATASE)		 4af3 AURORA KINASE B
(Homo
sapiens) 		5 / 12 ILE A 216
LEU A 208
HIS A 198
LEU A 184
ILE A 180
 None
 1.23A 1fmlB-4af3A:
undetectable		 1fmlB-4af3A:
20.27
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_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL)		 4af3 AURORA KINASE B
(Homo
sapiens) 		6 / 12 LEU A  83
VAL A  91
ALA A 104
GLY A 160
LEU A 207
ALA A 217
 VX6  A 500 (-3.8A)
VX6  A 500 ( 4.8A)
VX6  A 500 (-3.4A)
VX6  A 500 (-3.3A)
VX6  A 500 (-4.6A)
VX6  A 500 ( 4.2A)
 0.63A 1iepA-4af3A:
20.8		 1iepA-4af3A:
26.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1MUO_A_ADNA1_1
(AURORA-RELATED
KINASE 1)		 4af3 AURORA KINASE B
(Homo
sapiens) 		8 / 9 LEU A  83
GLY A  84
VAL A  91
ALA A 104
LEU A 138
TYR A 156
ALA A 157
LEU A 207
 VX6  A 500 (-3.8A)
VX6  A 500 ( 4.1A)
VX6  A 500 ( 4.8A)
VX6  A 500 (-3.4A)
None
VX6  A 500 (-4.2A)
VX6  A 500 (-3.7A)
VX6  A 500 (-4.6A)
 0.47A 1muoA-4af3A:
9.1		 1muoA-4af3A:
66.67
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.
1XBB_A_STIA1_1
(TYROSINE-PROTEIN
KINASE SYK)		 4af3 AURORA KINASE B
(Homo
sapiens) 		6 / 9 LEU A  83
VAL A  91
ALA A 104
ALA A 157
GLY A 160
LEU A 207
 VX6  A 500 (-3.8A)
VX6  A 500 ( 4.8A)
VX6  A 500 (-3.4A)
VX6  A 500 (-3.7A)
VX6  A 500 (-3.3A)
VX6  A 500 (-4.6A)
 0.48A 1xbbA-4af3A:
19.5		 1xbbA-4af3A:
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.
1XKK_A_FMMA91_2
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		 4af3 AURORA KINASE B
(Homo
sapiens) 		5 / 9 LEU A  83
VAL A  91
LYS A 106
LEU A 140
LEU A 152
 VX6  A 500 (-3.8A)
VX6  A 500 ( 4.8A)
VX6  A 500 (-3.3A)
None
None
 0.53A 1xkkA-4af3A:
19.0		 1xkkA-4af3A:
24.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1YAJ_D_BEZD2385_0
(CES1 PROTEIN)		 4af3 AURORA KINASE B
(Homo
sapiens) 		4 / 5 LEU A 262
LEU A 214
LEU A 207
LEU A 184
 None
None
VX6  A 500 (-4.6A)
None
 1.14A 1yajD-4af3A:
undetectable		 1yajD-4af3A:
19.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EVA_A_ADNA498_1
(TAK1 KINASE - TAB1
CHIMERA FUSION
PROTEIN)		 4af3 AURORA KINASE B
(Homo
sapiens) 		6 / 11 GLY A  84
VAL A  91
ALA A 104
TYR A 156
ALA A 157
LEU A 207
 VX6  A 500 ( 4.1A)
VX6  A 500 ( 4.8A)
VX6  A 500 (-3.4A)
VX6  A 500 (-4.2A)
VX6  A 500 (-3.7A)
VX6  A 500 (-4.6A)
 0.57A 2evaA-4af3A:
19.6		 2evaA-4af3A:
29.31
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.
2ITO_A_IREA2020_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		 4af3 AURORA KINASE B
(Homo
sapiens) 		6 / 12 LEU A  83
ALA A 104
LYS A 106
LEU A 152
GLY A 160
LEU A 207
 VX6  A 500 (-3.8A)
VX6  A 500 (-3.4A)
VX6  A 500 (-3.3A)
None
VX6  A 500 (-3.3A)
VX6  A 500 (-4.6A)
 0.72A 2itoA-4af3A:
19.7		 2itoA-4af3A:
23.75
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.
2IVU_A_ZD6A3015_0
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE RECEPTOR RET
PRECURSOR)		 4af3 AURORA KINASE B
(Homo
sapiens) 		7 / 12 LEU A  83
GLY A  84
VAL A  91
LEU A 152
TYR A 156
ALA A 157
LEU A 207
 VX6  A 500 (-3.8A)
VX6  A 500 ( 4.1A)
VX6  A 500 ( 4.8A)
None
VX6  A 500 (-4.2A)
VX6  A 500 (-3.7A)
VX6  A 500 (-4.6A)
 0.64A 2ivuA-4af3A:
20.3		 2ivuA-4af3A:
24.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OAX_D_SNLD4001_2
(MINERALOCORTICOID
RECEPTOR)		 4af3 AURORA KINASE B
(Homo
sapiens) 		4 / 5 LEU A 184
LEU A 256
CYH A 263
THR A 177
 None
 1.35A 2oaxD-4af3A:
undetectable		 2oaxD-4af3A:
20.77
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.
2P2F_A_ACTA653_0
(ACETYL-COENZYME A
SYNTHETASE)		 4af3 AURORA KINASE B
(Homo
sapiens) 		4 / 5 VAL A 288
VAL A 261
GLY A 260
TRP A 257
 None
 1.02A 2p2fA-4af3A:
undetectable		 2p2fA-4af3A:
19.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2WGJ_A_VGHA2346_1
(HEPATOCYTE GROWTH
FACTOR RECEPTOR)		 4af3 AURORA KINASE B
(Homo
sapiens) 		8 / 12 GLY A  84
VAL A  91
ALA A 104
LEU A 138
LEU A 154
TYR A 156
GLY A 160
ALA A 217
 VX6  A 500 ( 4.1A)
VX6  A 500 ( 4.8A)
VX6  A 500 (-3.4A)
None
None
VX6  A 500 (-4.2A)
VX6  A 500 (-3.3A)
VX6  A 500 ( 4.2A)
 0.78A 2wgjA-4af3A:
15.2		 2wgjA-4af3A:
28.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XP2_A_VGHA9000_1
(TYROSINE-PROTEIN
KINASE RECEPTOR)		 4af3 AURORA KINASE B
(Homo
sapiens) 		6 / 9 LEU A  83
VAL A  91
ALA A 104
LEU A 154
GLY A 160
LEU A 207
 VX6  A 500 (-3.8A)
VX6  A 500 ( 4.8A)
VX6  A 500 (-3.4A)
None
VX6  A 500 (-3.3A)
VX6  A 500 (-4.6A)
 0.61A 2xp2A-4af3A:
20.0		 2xp2A-4af3A:
24.01
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.
3G0E_A_B49A9000_1
(MAST/STEM CELL
GROWTH FACTOR
RECEPTOR)		 4af3 AURORA KINASE B
(Homo
sapiens) 		6 / 11 LEU A  83
VAL A  91
ALA A 104
TYR A 156
GLY A 160
LEU A 207
 VX6  A 500 (-3.8A)
VX6  A 500 ( 4.8A)
VX6  A 500 (-3.4A)
VX6  A 500 (-4.2A)
VX6  A 500 (-3.3A)
VX6  A 500 (-4.6A)
 0.39A 3g0eA-4af3A:
18.8		 3g0eA-4af3A:
27.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3G0F_A_B49A9001_1
(MAST/STEM CELL
GROWTH FACTOR
RECEPTOR)		 4af3 AURORA KINASE B
(Homo
sapiens) 		6 / 11 LEU A  83
VAL A  91
ALA A 104
TYR A 156
GLY A 160
LEU A 207
 VX6  A 500 (-3.8A)
VX6  A 500 ( 4.8A)
VX6  A 500 (-3.4A)
VX6  A 500 (-4.2A)
VX6  A 500 (-3.3A)
VX6  A 500 (-4.6A)
 0.45A 3g0fA-4af3A:
19.7		 3g0fA-4af3A:
27.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3G0F_B_B49B9001_1
(MAST/STEM CELL
GROWTH FACTOR
RECEPTOR)		 4af3 AURORA KINASE B
(Homo
sapiens) 		6 / 10 LEU A  83
VAL A  91
ALA A 104
TYR A 156
GLY A 160
LEU A 207
 VX6  A 500 (-3.8A)
VX6  A 500 ( 4.8A)
VX6  A 500 (-3.4A)
VX6  A 500 (-4.2A)
VX6  A 500 (-3.3A)
VX6  A 500 (-4.6A)
 0.44A 3g0fB-4af3A:
19.7		 3g0fB-4af3A:
27.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3G5D_A_1N1A1_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		 4af3 AURORA KINASE B
(Homo
sapiens) 		7 / 12 LEU A  83
VAL A  91
ALA A 104
TYR A 156
GLY A 160
LEU A 207
ALA A 217
 VX6  A 500 (-3.8A)
VX6  A 500 ( 4.8A)
VX6  A 500 (-3.4A)
VX6  A 500 (-4.2A)
VX6  A 500 (-3.3A)
VX6  A 500 (-4.6A)
VX6  A 500 ( 4.2A)
 0.59A 3g5dA-4af3A:
20.1		 3g5dA-4af3A:
23.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3G5D_B_1N1B1_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		 4af3 AURORA KINASE B
(Homo
sapiens) 		8 / 12 LEU A  83
VAL A  91
ALA A 104
LYS A 106
TYR A 156
GLY A 160
LEU A 207
ALA A 217
 VX6  A 500 (-3.8A)
VX6  A 500 ( 4.8A)
VX6  A 500 (-3.4A)
VX6  A 500 (-3.3A)
VX6  A 500 (-4.2A)
VX6  A 500 (-3.3A)
VX6  A 500 (-4.6A)
VX6  A 500 ( 4.2A)
 0.83A 3g5dB-4af3A:
20.1		 3g5dB-4af3A:
23.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MS9_B_STIB1_1
(TYROSINE-PROTEIN
KINASE ABL1)		 4af3 AURORA KINASE B
(Homo
sapiens) 		6 / 12 LEU A  83
VAL A  91
ALA A 104
GLY A 160
LEU A 207
ALA A 217
 VX6  A 500 (-3.8A)
VX6  A 500 ( 4.8A)
VX6  A 500 (-3.4A)
VX6  A 500 (-3.3A)
VX6  A 500 (-4.6A)
VX6  A 500 ( 4.2A)
 0.59A 3ms9B-4af3A:
20.5		 3ms9B-4af3A:
26.25
Potential target for repurposing, i.e. matched protein structure has less than 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_B_STIB1_1
(TYROSINE-PROTEIN
KINASE ABL1)		 4af3 AURORA KINASE B
(Homo
sapiens) 		6 / 12 LEU A  83
VAL A  91
ALA A 104
GLY A 160
LEU A 207
ALA A 217
 VX6  A 500 (-3.8A)
VX6  A 500 ( 4.8A)
VX6  A 500 (-3.4A)
VX6  A 500 (-3.3A)
VX6  A 500 (-4.6A)
VX6  A 500 ( 4.2A)
 0.62A 3mssB-4af3A:
20.6		 3mssB-4af3A:
26.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NBR_A_ASDA129_1
(STEROID
DELTA-ISOMERASE)		 4af3 AURORA KINASE B
(Homo
sapiens) 		5 / 12 PHE A 273
VAL A 268
VAL A 296
PRO A 293
PHE A 292
 None
 1.21A 3nbrA-4af3A:
undetectable		 3nbrA-4af3A:
16.15
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.
3OEZ_A_STIA601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		 4af3 AURORA KINASE B
(Homo
sapiens) 		6 / 12 VAL A  91
ALA A 104
TYR A 156
GLY A 160
LEU A 207
ALA A 217
 VX6  A 500 ( 4.8A)
VX6  A 500 (-3.4A)
VX6  A 500 (-4.2A)
VX6  A 500 (-3.3A)
VX6  A 500 (-4.6A)
VX6  A 500 ( 4.2A)
 0.52A 3oezA-4af3A:
20.0		 3oezA-4af3A:
23.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3QLG_B_1N1B601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		 4af3 AURORA KINASE B
(Homo
sapiens) 		7 / 12 LEU A  83
VAL A  91
ALA A 104
TYR A 156
GLY A 160
LEU A 207
ALA A 217
 VX6  A 500 (-3.8A)
VX6  A 500 ( 4.8A)
VX6  A 500 (-3.4A)
VX6  A 500 (-4.2A)
VX6  A 500 (-3.3A)
VX6  A 500 (-4.6A)
VX6  A 500 ( 4.2A)
 0.60A 3qlgB-4af3A:
19.7		 3qlgB-4af3A:
23.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SXR_A_1N1A1_1
(CYTOPLASMIC
TYROSINE-PROTEIN
KINASE BMX)		 4af3 AURORA KINASE B
(Homo
sapiens) 		6 / 12 LEU A  83
VAL A  91
ALA A 104
TYR A 156
GLY A 160
LEU A 207
 VX6  A 500 (-3.8A)
VX6  A 500 ( 4.8A)
VX6  A 500 (-3.4A)
VX6  A 500 (-4.2A)
VX6  A 500 (-3.3A)
VX6  A 500 (-4.6A)
 0.42A 3sxrA-4af3A:
20.8		 3sxrA-4af3A:
23.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SXR_B_1N1B2_1
(CYTOPLASMIC
TYROSINE-PROTEIN
KINASE BMX)		 4af3 AURORA KINASE B
(Homo
sapiens) 		7 / 12 LEU A  83
VAL A  91
ALA A 104
TYR A 156
GLY A 160
LEU A 207
PHE A 219
 VX6  A 500 (-3.8A)
VX6  A 500 ( 4.8A)
VX6  A 500 (-3.4A)
VX6  A 500 (-4.2A)
VX6  A 500 (-3.3A)
VX6  A 500 (-4.6A)
None
 0.98A 3sxrB-4af3A:
20.4		 3sxrB-4af3A:
23.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UG2_A_IREA1_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		 4af3 AURORA KINASE B
(Homo
sapiens) 		7 / 12 LEU A  83
VAL A  91
ALA A 104
LYS A 106
LEU A 152
GLY A 160
LEU A 207
 VX6  A 500 (-3.8A)
VX6  A 500 ( 4.8A)
VX6  A 500 (-3.4A)
VX6  A 500 (-3.3A)
None
VX6  A 500 (-3.3A)
VX6  A 500 (-4.6A)
 0.74A 3ug2A-4af3A:
19.2		 3ug2A-4af3A:
24.49
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.
3ZOS_A_0LIA1000_2
(EPITHELIAL DISCOIDIN
DOMAIN-CONTAINING
RECEPTOR 1)		 4af3 AURORA KINASE B
(Homo
sapiens) 		5 / 9 ILE A 128
LEU A 132
ILE A 137
TYR A 156
ILE A 216
 None
None
None
VX6  A 500 (-4.2A)
None
 1.01A 3zosA-4af3A:
19.5		 3zosA-4af3A:
26.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ZOS_B_0LIB1000_2
(EPITHELIAL DISCOIDIN
DOMAIN-CONTAINING
RECEPTOR 1)		 4af3 AURORA KINASE B
(Homo
sapiens) 		5 / 9 ILE A 128
LEU A 132
ILE A 137
TYR A 156
ILE A 216
 None
None
None
VX6  A 500 (-4.2A)
None
 1.01A 3zosB-4af3A:
19.5		 3zosB-4af3A:
26.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ANQ_A_VGHA9000_1
(ALK TYROSINE KINASE
RECEPTOR)		 4af3 AURORA KINASE B
(Homo
sapiens) 		7 / 9 LEU A  83
VAL A  91
ALA A 104
LEU A 154
GLY A 160
LEU A 207
ALA A 217
 VX6  A 500 (-3.8A)
VX6  A 500 ( 4.8A)
VX6  A 500 (-3.4A)
None
VX6  A 500 (-3.3A)
VX6  A 500 (-4.6A)
VX6  A 500 ( 4.2A)
 0.62A 4anqA-4af3A:
19.7		 4anqA-4af3A:
24.71
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.
4ANS_A_VGHA9000_1
(ALK TYROSINE KINASE
RECEPTOR)		 4af3 AURORA KINASE B
(Homo
sapiens) 		6 / 9 LEU A  83
VAL A  91
ALA A 104
GLY A 160
LEU A 207
ALA A 217
 VX6  A 500 (-3.8A)
VX6  A 500 ( 4.8A)
VX6  A 500 (-3.4A)
VX6  A 500 (-3.3A)
VX6  A 500 (-4.6A)
VX6  A 500 ( 4.2A)
 0.60A 4ansA-4af3A:
19.7		 4ansA-4af3A:
24.42
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.
4C8B_A_0LIA1000_2
(RECEPTOR-INTERACTING
SERINE/THREONINE-PRO
TEIN KINASE 2)		 4af3 AURORA KINASE B
(Homo
sapiens) 		4 / 5 VAL A  91
ILE A 137
TYR A 156
ILE A 216
 VX6  A 500 ( 4.8A)
None
VX6  A 500 (-4.2A)
None
 0.58A 4c8bA-4af3A:
20.4		 4c8bA-4af3A:
27.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CKJ_A_ADNA2014_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE RECEPTOR RET)		 4af3 AURORA KINASE B
(Homo
sapiens) 		7 / 10 LEU A  83
GLY A  84
VAL A  91
ALA A 104
TYR A 156
ALA A 157
LEU A 207
 VX6  A 500 (-3.8A)
VX6  A 500 ( 4.1A)
VX6  A 500 ( 4.8A)
VX6  A 500 (-3.4A)
VX6  A 500 (-4.2A)
VX6  A 500 (-3.7A)
VX6  A 500 (-4.6A)
 0.59A 4ckjA-4af3A:
20.3		 4ckjA-4af3A:
24.25
Potential target for repurposing, i.e. matched protein structure has less than 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)		 4af3 AURORA KINASE B
(Homo
sapiens) 		6 / 12 LEU A  83
VAL A  91
ALA A 104
LYS A 106
GLY A 160
LEU A 207
 VX6  A 500 (-3.8A)
VX6  A 500 ( 4.8A)
VX6  A 500 (-3.4A)
VX6  A 500 (-3.3A)
VX6  A 500 (-3.3A)
VX6  A 500 (-4.6A)
 0.48A 4hjoA-4af3A:
20.0		 4hjoA-4af3A:
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.
4I22_A_IREA9001_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		 4af3 AURORA KINASE B
(Homo
sapiens) 		8 / 12 LEU A  83
GLY A  84
VAL A  91
ALA A 104
LYS A 106
LEU A 152
GLY A 160
LEU A 207
 VX6  A 500 (-3.8A)
VX6  A 500 ( 4.1A)
VX6  A 500 ( 4.8A)
VX6  A 500 (-3.4A)
VX6  A 500 (-3.3A)
None
VX6  A 500 (-3.3A)
VX6  A 500 (-4.6A)
 0.70A 4i22A-4af3A:
19.3		 4i22A-4af3A:
24.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4IFG_A_1E8A601_1
(CALMODULIN-DOMAIN
PROTEIN KINASE 1)		 4af3 AURORA KINASE B
(Homo
sapiens) 		7 / 12 GLY A  84
VAL A  91
ALA A 104
LYS A 106
LEU A 140
LEU A 152
LEU A 207
 VX6  A 500 ( 4.1A)
VX6  A 500 ( 4.8A)
VX6  A 500 (-3.4A)
VX6  A 500 (-3.3A)
None
None
VX6  A 500 (-4.6A)
 0.80A 4ifgA-4af3A:
21.7		 4ifgA-4af3A:
25.97
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.
4IFG_A_1E8A601_1
(CALMODULIN-DOMAIN
PROTEIN KINASE 1)		 4af3 AURORA KINASE B
(Homo
sapiens) 		7 / 12 GLY A  84
VAL A  91
LYS A 106
LEU A 140
LEU A 152
GLY A 160
LEU A 207
 VX6  A 500 ( 4.1A)
VX6  A 500 ( 4.8A)
VX6  A 500 (-3.3A)
None
None
VX6  A 500 (-3.3A)
VX6  A 500 (-4.6A)
 0.96A 4ifgA-4af3A:
21.7		 4ifgA-4af3A:
25.97
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.
4IFG_A_1E8A601_1
(CALMODULIN-DOMAIN
PROTEIN KINASE 1)		 4af3 AURORA KINASE B
(Homo
sapiens) 		7 / 12 VAL A  91
ALA A 104
LYS A 106
LEU A 140
LEU A 152
GLU A 161
LEU A 207
 VX6  A 500 ( 4.8A)
VX6  A 500 (-3.4A)
VX6  A 500 (-3.3A)
None
None
VX6  A 500 ( 4.6A)
VX6  A 500 (-4.6A)
 0.74A 4ifgA-4af3A:
21.7		 4ifgA-4af3A:
25.97
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.
4IFG_A_1E8A601_1
(CALMODULIN-DOMAIN
PROTEIN KINASE 1)		 4af3 AURORA KINASE B
(Homo
sapiens) 		7 / 12 VAL A  91
LYS A 106
LEU A 140
LEU A 152
GLY A 160
GLU A 161
LEU A 207
 VX6  A 500 ( 4.8A)
VX6  A 500 (-3.3A)
None
None
VX6  A 500 (-3.3A)
VX6  A 500 ( 4.6A)
VX6  A 500 (-4.6A)
 0.83A 4ifgA-4af3A:
21.7		 4ifgA-4af3A:
25.97
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.
4MKC_A_4MKA1503_1
(ALK TYROSINE KINASE
RECEPTOR)		 4af3 AURORA KINASE B
(Homo
sapiens) 		7 / 12 LEU A  83
GLY A  89
VAL A  91
ALA A 104
LYS A 106
LEU A 154
GLY A 160
 VX6  A 500 (-3.8A)
None
VX6  A 500 ( 4.8A)
VX6  A 500 (-3.4A)
VX6  A 500 (-3.3A)
None
VX6  A 500 (-3.3A)
 0.88A 4mkcA-4af3A:
19.7		 4mkcA-4af3A:
23.29
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.
4MKC_A_4MKA1503_1
(ALK TYROSINE KINASE
RECEPTOR)		 4af3 AURORA KINASE B
(Homo
sapiens) 		7 / 12 LEU A  83
VAL A  91
ALA A 104
LYS A 106
LEU A 154
GLY A 160
LEU A 207
 VX6  A 500 (-3.8A)
VX6  A 500 ( 4.8A)
VX6  A 500 (-3.4A)
VX6  A 500 (-3.3A)
None
VX6  A 500 (-3.3A)
VX6  A 500 (-4.6A)
 0.75A 4mkcA-4af3A:
19.7		 4mkcA-4af3A:
23.29
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.
4MXX_B_DB8B601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		 4af3 AURORA KINASE B
(Homo
sapiens) 		7 / 12 LEU A  83
VAL A  91
ALA A 104
LYS A 106
TYR A 156
GLY A 160
LEU A 207
 VX6  A 500 (-3.8A)
VX6  A 500 ( 4.8A)
VX6  A 500 (-3.4A)
VX6  A 500 (-3.3A)
VX6  A 500 (-4.2A)
VX6  A 500 (-3.3A)
VX6  A 500 (-4.6A)
 0.68A 4mxxB-4af3A:
20.0		 4mxxB-4af3A:
23.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4O0S_A_ADNA500_1
(AURORA KINASE A)		 4af3 AURORA KINASE B
(Homo
sapiens) 		7 / 11 LEU A  83
GLY A  84
VAL A  91
ALA A 104
LEU A 138
ASN A 205
LEU A 207
 VX6  A 500 (-3.8A)
VX6  A 500 ( 4.1A)
VX6  A 500 ( 4.8A)
VX6  A 500 (-3.4A)
None
None
VX6  A 500 (-4.6A)
 0.70A 4o0sA-4af3A:
29.3		 4o0sA-4af3A:
66.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4O0U_A_ADNA501_1
(AURORA KINASE A)		 4af3 AURORA KINASE B
(Homo
sapiens) 		5 / 6 VAL A  91
ALA A 104
LYS A 106
LEU A 138
LEU A 207
 VX6  A 500 ( 4.8A)
VX6  A 500 (-3.4A)
VX6  A 500 (-3.3A)
None
VX6  A 500 (-4.6A)
 0.61A 4o0uA-4af3A:
9.5		 4o0uA-4af3A:
66.44
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)		 4af3 AURORA KINASE B
(Homo
sapiens) 		5 / 6 LEU A  83
GLY A  84
VAL A  91
ALA A 104
LEU A 207
 VX6  A 500 (-3.8A)
VX6  A 500 ( 4.1A)
VX6  A 500 ( 4.8A)
VX6  A 500 (-3.4A)
VX6  A 500 (-4.6A)
 0.61A 4o0wA-4af3A:
29.6		 4o0wA-4af3A:
66.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4OTW_A_DB8A1101_1
(RECEPTOR
TYROSINE-PROTEIN
KINASE ERBB-3)		 4af3 AURORA KINASE B
(Homo
sapiens) 		7 / 12 LEU A  83
VAL A  91
LYS A 106
TYR A 156
GLY A 160
LEU A 207
ALA A 217
 VX6  A 500 (-3.8A)
VX6  A 500 ( 4.8A)
VX6  A 500 (-3.3A)
VX6  A 500 (-4.2A)
VX6  A 500 (-3.3A)
VX6  A 500 (-4.6A)
VX6  A 500 ( 4.2A)
 0.62A 4otwA-4af3A:
19.3		 4otwA-4af3A:
23.01
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.
4TWP_B_AXIB601_1
(TYROSINE-PROTEIN
KINASE ABL1)		 4af3 AURORA KINASE B
(Homo
sapiens) 		8 / 12 LEU A  83
VAL A  91
ALA A 104
LYS A 106
GLY A 160
ASN A 205
LEU A 207
ALA A 217
 VX6  A 500 (-3.8A)
VX6  A 500 ( 4.8A)
VX6  A 500 (-3.4A)
VX6  A 500 (-3.3A)
VX6  A 500 (-3.3A)
None
VX6  A 500 (-4.6A)
VX6  A 500 ( 4.2A)
 1.16A 4twpB-4af3A:
21.0		 4twpB-4af3A:
25.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4U0I_A_0LIA1001_1
(MAST/STEM CELL
GROWTH FACTOR
RECEPTOR
KIT,MAST/STEM CELL
GROWTH FACTOR
RECEPTOR KIT)		 4af3 AURORA KINASE B
(Homo
sapiens) 		6 / 10 LEU A  83
VAL A  91
LEU A 132
ILE A 137
TYR A 156
ILE A 216
 VX6  A 500 (-3.8A)
VX6  A 500 ( 4.8A)
None
None
VX6  A 500 (-4.2A)
None
 0.78A 4u0iA-4af3A:
19.8		 4u0iA-4af3A:
26.97
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.
4U5J_A_RXTA601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		 4af3 AURORA KINASE B
(Homo
sapiens) 		8 / 11 LEU A  83
VAL A  91
ALA A 104
TYR A 156
GLY A 160
ASN A 205
LEU A 207
ALA A 217
 VX6  A 500 (-3.8A)
VX6  A 500 ( 4.8A)
VX6  A 500 (-3.4A)
VX6  A 500 (-4.2A)
VX6  A 500 (-3.3A)
None
VX6  A 500 (-4.6A)
VX6  A 500 ( 4.2A)
 0.64A 4u5jA-4af3A:
20.6		 4u5jA-4af3A:
23.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4U5J_B_RXTB601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		 4af3 AURORA KINASE B
(Homo
sapiens) 		6 / 9 LEU A  83
VAL A  91
ALA A 104
TYR A 156
GLY A 160
LEU A 207
 VX6  A 500 (-3.8A)
VX6  A 500 ( 4.8A)
VX6  A 500 (-3.4A)
VX6  A 500 (-4.2A)
VX6  A 500 (-3.3A)
VX6  A 500 (-4.6A)
 0.43A 4u5jB-4af3A:
20.4		 4u5jB-4af3A:
23.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4V01_A_0LIA1776_2
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1
(FMS-RELATED
TYROSINE KINASE 2,
PFEIFFER SYNDROME),
ISOFORM CRA_B)		 4af3 AURORA KINASE B
(Homo
sapiens) 		5 / 9 LEU A  83
VAL A  91
TYR A 156
LEU A 207
ILE A 216
 VX6  A 500 (-3.8A)
VX6  A 500 ( 4.8A)
VX6  A 500 (-4.2A)
VX6  A 500 (-4.6A)
None
 0.43A 4v01A-4af3A:
19.8		 4v01A-4af3A:
27.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4V01_B_0LIB1770_2
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1
(FMS-RELATED
TYROSINE KINASE 2,
PFEIFFER SYNDROME),
ISOFORM CRA_B)		 4af3 AURORA KINASE B
(Homo
sapiens) 		6 / 9 LEU A  83
VAL A  91
LYS A 106
TYR A 156
LEU A 207
ILE A 216
 VX6  A 500 (-3.8A)
VX6  A 500 ( 4.8A)
VX6  A 500 (-3.3A)
VX6  A 500 (-4.2A)
VX6  A 500 (-4.6A)
None
 0.87A 4v01B-4af3A:
19.9		 4v01B-4af3A:
27.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WA9_A_AXIA9000_1
(TYROSINE-PROTEIN
KINASE ABL1)		 4af3 AURORA KINASE B
(Homo
sapiens) 		6 / 11 ALA A 104
LYS A 106
GLY A 160
ASN A 205
LEU A 207
ALA A 217
 VX6  A 500 (-3.4A)
VX6  A 500 (-3.3A)
VX6  A 500 (-3.3A)
None
VX6  A 500 (-4.6A)
VX6  A 500 ( 4.2A)
 0.96A 4wa9A-4af3A:
18.4		 4wa9A-4af3A:
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.
4WA9_A_AXIA9000_1
(TYROSINE-PROTEIN
KINASE ABL1)		 4af3 AURORA KINASE B
(Homo
sapiens) 		6 / 11 LEU A  83
ALA A 104
LYS A 106
GLY A 160
ASN A 205
LEU A 207
 VX6  A 500 (-3.8A)
VX6  A 500 (-3.4A)
VX6  A 500 (-3.3A)
VX6  A 500 (-3.3A)
None
VX6  A 500 (-4.6A)
 0.88A 4wa9A-4af3A:
18.4		 4wa9A-4af3A:
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.
4XEY_A_1N1A601_1
(TYROSINE-PROTEIN
KINASE ABL1)		 4af3 AURORA KINASE B
(Homo
sapiens) 		7 / 12 LEU A  83
VAL A  91
ALA A 104
LYS A 106
GLY A 160
LEU A 207
ALA A 217
 VX6  A 500 (-3.8A)
VX6  A 500 ( 4.8A)
VX6  A 500 (-3.4A)
VX6  A 500 (-3.3A)
VX6  A 500 (-3.3A)
VX6  A 500 (-4.6A)
VX6  A 500 ( 4.2A)
 0.73A 4xeyA-4af3A:
20.5		 4xeyA-4af3A:
22.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XLI_A_1N1A601_1
(NON-SPECIFIC
PROTEIN-TYROSINE
KINASE)		 4af3 AURORA KINASE B
(Homo
sapiens) 		7 / 12 LEU A  83
ALA A 104
LYS A 106
TYR A 156
GLY A 160
LEU A 207
ALA A 217
 VX6  A 500 (-3.8A)
VX6  A 500 (-3.4A)
VX6  A 500 (-3.3A)
VX6  A 500 (-4.2A)
VX6  A 500 (-3.3A)
VX6  A 500 (-4.6A)
VX6  A 500 ( 4.2A)
 0.55A 4xliA-4af3A:
20.3		 4xliA-4af3A:
27.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ZZB_C_ACTC401_0
(PROTON-GATED ION
CHANNEL)		 4af3 AURORA KINASE B
(Homo
sapiens) 		4 / 7 ARG A 248
VAL A 196
ILE A 128
GLU A 125
 None
 1.01A 4zzbC-4af3A:
undetectable
4zzbD-4af3A:
undetectable		 4zzbC-4af3A:
20.29
4zzbD-4af3A:
20.29
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.
5AAA_A_VGHA9000_1
(ALK TYROSINE KINASE
RECEPTOR)		 4af3 AURORA KINASE B
(Homo
sapiens) 		6 / 9 LEU A  83
VAL A  91
ALA A 104
LEU A 154
GLY A 160
LEU A 207
 VX6  A 500 (-3.8A)
VX6  A 500 ( 4.8A)
VX6  A 500 (-3.4A)
None
VX6  A 500 (-3.3A)
VX6  A 500 (-4.6A)
 0.59A 5aaaA-4af3A:
19.3		 5aaaA-4af3A:
24.01
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.
5AAB_A_VGHA9000_1
(ALK TYROSINE KINASE
RECEPTOR)		 4af3 AURORA KINASE B
(Homo
sapiens) 		7 / 10 LEU A  83
VAL A  91
ALA A 104
LYS A 106
LEU A 154
GLY A 160
LEU A 207
 VX6  A 500 (-3.8A)
VX6  A 500 ( 4.8A)
VX6  A 500 (-3.4A)
VX6  A 500 (-3.3A)
None
VX6  A 500 (-3.3A)
VX6  A 500 (-4.6A)
 0.64A 5aabA-4af3A:
19.9		 5aabA-4af3A:
24.01
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.
5AAC_A_VGHA9000_1
(ALK TYROSINE KINASE
RECEPTOR)		 4af3 AURORA KINASE B
(Homo
sapiens) 		7 / 10 LEU A  83
VAL A  91
ALA A 104
LYS A 106
LEU A 154
GLY A 160
LEU A 207
 VX6  A 500 (-3.8A)
VX6  A 500 ( 4.8A)
VX6  A 500 (-3.4A)
VX6  A 500 (-3.3A)
None
VX6  A 500 (-3.3A)
VX6  A 500 (-4.6A)
 0.65A 5aacA-4af3A:
19.9		 5aacA-4af3A:
24.01
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5AJQ_A_DB8A800_1
(SERINE/THREONINE-PRO
TEIN KINASE 10)		 4af3 AURORA KINASE B
(Homo
sapiens) 		6 / 12 LEU A  83
ALA A 104
LYS A 106
GLY A 160
LEU A 207
ALA A 217
 VX6  A 500 (-3.8A)
VX6  A 500 (-3.4A)
VX6  A 500 (-3.3A)
VX6  A 500 (-3.3A)
VX6  A 500 (-4.6A)
VX6  A 500 ( 4.2A)
 0.58A 5ajqA-4af3A:
22.4		 5ajqA-4af3A:
30.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5AJQ_A_DB8A800_1
(SERINE/THREONINE-PRO
TEIN KINASE 10)		 4af3 AURORA KINASE B
(Homo
sapiens) 		6 / 12 LEU A  83
GLY A  84
ALA A 104
GLY A 160
LEU A 207
ALA A 217
 VX6  A 500 (-3.8A)
VX6  A 500 ( 4.1A)
VX6  A 500 (-3.4A)
VX6  A 500 (-3.3A)
VX6  A 500 (-4.6A)
VX6  A 500 ( 4.2A)
 0.77A 5ajqA-4af3A:
22.4		 5ajqA-4af3A:
30.32
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.
5BVW_A_1N1A1009_1
(EPITHELIAL DISCOIDIN
DOMAIN-CONTAINING
RECEPTOR 1)		 4af3 AURORA KINASE B
(Homo
sapiens) 		8 / 12 LEU A  83
VAL A  91
ALA A 104
LYS A 106
TYR A 156
GLY A 160
LEU A 207
ALA A 217
 VX6  A 500 (-3.8A)
VX6  A 500 ( 4.8A)
VX6  A 500 (-3.4A)
VX6  A 500 (-3.3A)
VX6  A 500 (-4.2A)
VX6  A 500 (-3.3A)
VX6  A 500 (-4.6A)
VX6  A 500 ( 4.2A)
 0.76A 5bvwA-4af3A:
19.3		 5bvwA-4af3A:
26.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5H2U_A_1N1A501_1
(PROTEIN-TYROSINE
KINASE 6)		 4af3 AURORA KINASE B
(Homo
sapiens) 		6 / 12 LEU A  83
VAL A  91
ALA A 104
LEU A 138
GLY A 160
LEU A 207
 VX6  A 500 (-3.8A)
VX6  A 500 ( 4.8A)
VX6  A 500 (-3.4A)
None
VX6  A 500 (-3.3A)
VX6  A 500 (-4.6A)
 0.69A 5h2uA-4af3A:
19.8		 5h2uA-4af3A:
26.25
Potential target for repurposing, i.e. matched protein structure has less than 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)		 4af3 AURORA KINASE B
(Homo
sapiens) 		6 / 12 LEU A  83
VAL A  91
ALA A 104
LEU A 138
GLY A 160
LEU A 207
 VX6  A 500 (-3.8A)
VX6  A 500 ( 4.8A)
VX6  A 500 (-3.4A)
None
VX6  A 500 (-3.3A)
VX6  A 500 (-4.6A)
 0.69A 5h2uB-4af3A:
20.3		 5h2uB-4af3A:
26.25
Potential target for repurposing, i.e. matched protein structure has less than 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)		 4af3 AURORA KINASE B
(Homo
sapiens) 		6 / 12 LEU A  83
VAL A  91
ALA A 104
LEU A 138
GLY A 160
LEU A 207
 VX6  A 500 (-3.8A)
VX6  A 500 ( 4.8A)
VX6  A 500 (-3.4A)
None
VX6  A 500 (-3.3A)
VX6  A 500 (-4.6A)
 0.64A 5h2uD-4af3A:
20.1		 5h2uD-4af3A:
26.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HES_B_032B401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		 4af3 AURORA KINASE B
(Homo
sapiens) 		6 / 12 VAL A  91
ALA A 104
LYS A 106
TYR A 156
ALA A 157
GLY A 220
 VX6  A 500 ( 4.8A)
VX6  A 500 (-3.4A)
VX6  A 500 (-3.3A)
VX6  A 500 (-4.2A)
VX6  A 500 (-3.7A)
None
 0.99A 5hesB-4af3A:
20.2		 5hesB-4af3A:
26.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5LVN_A_ADNA402_1
(3-PHOSPHOINOSITIDE-D
EPENDENT PROTEIN
KINASE 1)		 4af3 AURORA KINASE B
(Homo
sapiens) 		7 / 11 LEU A  83
GLY A  84
VAL A  91
ALA A 104
TYR A 156
ALA A 157
LEU A 207
 VX6  A 500 (-3.8A)
VX6  A 500 ( 4.1A)
VX6  A 500 ( 4.8A)
VX6  A 500 (-3.4A)
VX6  A 500 (-4.2A)
VX6  A 500 (-3.7A)
VX6  A 500 (-4.6A)
 0.58A 5lvnA-4af3A:
25.6		 5lvnA-4af3A:
33.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5LVN_A_ADNA402_1
(3-PHOSPHOINOSITIDE-D
EPENDENT PROTEIN
KINASE 1)		 4af3 AURORA KINASE B
(Homo
sapiens) 		7 / 11 LEU A  83
VAL A  91
ALA A 104
LEU A 154
TYR A 156
ALA A 157
GLU A 161
 VX6  A 500 (-3.8A)
VX6  A 500 ( 4.8A)
VX6  A 500 (-3.4A)
None
VX6  A 500 (-4.2A)
VX6  A 500 (-3.7A)
VX6  A 500 ( 4.6A)
 0.70A 5lvnA-4af3A:
25.6		 5lvnA-4af3A:
33.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5LVN_A_ADNA402_1
(3-PHOSPHOINOSITIDE-D
EPENDENT PROTEIN
KINASE 1)		 4af3 AURORA KINASE B
(Homo
sapiens) 		7 / 11 LEU A  83
VAL A  91
ALA A 104
LEU A 154
TYR A 156
ALA A 157
LEU A 207
 VX6  A 500 (-3.8A)
VX6  A 500 ( 4.8A)
VX6  A 500 (-3.4A)
None
VX6  A 500 (-4.2A)
VX6  A 500 (-3.7A)
VX6  A 500 (-4.6A)
 0.49A 5lvnA-4af3A:
25.6		 5lvnA-4af3A:
33.12
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.
5MAF_A_XINA403_1
(MATERNAL EMBRYONIC
LEUCINE ZIPPER
KINASE)		 4af3 AURORA KINASE B
(Homo
sapiens) 		8 / 12 GLY A  84
VAL A  91
ALA A 104
LYS A 106
LEU A 154
TYR A 156
GLY A 160
GLU A 161
 VX6  A 500 ( 4.1A)
VX6  A 500 ( 4.8A)
VX6  A 500 (-3.4A)
VX6  A 500 (-3.3A)
None
VX6  A 500 (-4.2A)
VX6  A 500 (-3.3A)
VX6  A 500 ( 4.6A)
 0.97A 5mafA-4af3A:
24.7		 5mafA-4af3A:
13.70
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.
5TOA_B_ESTB601_1
(ESTROGEN RECEPTOR
BETA)		 4af3 AURORA KINASE B
(Homo
sapiens) 		5 / 12 MET A 181
LEU A 184
ILE A 304
LEU A 307
LEU A 266
 None
 1.06A 5toaB-4af3A:
undetectable		 5toaB-4af3A:
20.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5XV7_A_EMHA705_1
(SERINE-ARGININE (SR)
PROTEIN KINASE 1)		 4af3 AURORA KINASE B
(Homo
sapiens) 		5 / 12 ARG A  81
LEU A  83
GLY A  84
VAL A  91
ALA A 104
 None
VX6  A 500 (-3.8A)
VX6  A 500 ( 4.1A)
VX6  A 500 ( 4.8A)
VX6  A 500 (-3.4A)
 0.75A 5xv7A-4af3A:
19.5		 5xv7A-4af3A:
12.97
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.
5YU9_A_1E8A1101_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		 4af3 AURORA KINASE B
(Homo
sapiens) 		7 / 12 LEU A  83
GLY A  84
VAL A  91
ALA A 104
LYS A 106
LEU A 152
LEU A 207
 VX6  A 500 (-3.8A)
VX6  A 500 ( 4.1A)
VX6  A 500 ( 4.8A)
VX6  A 500 (-3.4A)
VX6  A 500 (-3.3A)
None
VX6  A 500 (-4.6A)
 0.93A 5yu9A-4af3A:
19.0		 5yu9A-4af3A:
12.97
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.
5YU9_C_1E8C1101_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		 4af3 AURORA KINASE B
(Homo
sapiens) 		5 / 12 VAL A  91
ALA A 104
LYS A 106
LEU A 152
GLY A 160
 VX6  A 500 ( 4.8A)
VX6  A 500 (-3.4A)
VX6  A 500 (-3.3A)
None
VX6  A 500 (-3.3A)
 0.71A 5yu9C-4af3A:
18.9		 5yu9C-4af3A:
12.97
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.
5ZV2_A_LEVA801_1
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1)		 4af3 AURORA KINASE B
(Homo
sapiens) 		7 / 12 LEU A  83
GLY A  84
PHE A  88
VAL A  91
TYR A 156
ALA A 157
GLY A 160
 VX6  A 500 (-3.8A)
VX6  A 500 ( 4.1A)
VX6  A 500 (-3.4A)
VX6  A 500 ( 4.8A)
VX6  A 500 (-4.2A)
VX6  A 500 (-3.7A)
VX6  A 500 (-3.3A)
 1.19A 5zv2A-4af3A:
20.1		 5zv2A-4af3A:
13.70
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.
5ZV2_A_LEVA801_1
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1)		 4af3 AURORA KINASE B
(Homo
sapiens) 		8 / 12 LEU A  83
GLY A  84
VAL A  91
ALA A 104
TYR A 156
ALA A 157
GLY A 160
ALA A 217
 VX6  A 500 (-3.8A)
VX6  A 500 ( 4.1A)
VX6  A 500 ( 4.8A)
VX6  A 500 (-3.4A)
VX6  A 500 (-4.2A)
VX6  A 500 (-3.7A)
VX6  A 500 (-3.3A)
VX6  A 500 ( 4.2A)
 0.80A 5zv2A-4af3A:
20.1		 5zv2A-4af3A:
13.70
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.
5ZV2_B_LEVB801_1
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1)		 4af3 AURORA KINASE B
(Homo
sapiens) 		7 / 12 LEU A  83
GLY A  84
VAL A  91
ALA A 104
ALA A 157
GLY A 160
ALA A 217
 VX6  A 500 (-3.8A)
VX6  A 500 ( 4.1A)
VX6  A 500 ( 4.8A)
VX6  A 500 (-3.4A)
VX6  A 500 (-3.7A)
VX6  A 500 (-3.3A)
VX6  A 500 ( 4.2A)
 0.79A 5zv2B-4af3A:
20.1		 5zv2B-4af3A:
13.70
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.
5ZV2_B_LEVB801_1
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1)		 4af3 AURORA KINASE B
(Homo
sapiens) 		7 / 12 LEU A  83
VAL A  91
ALA A 104
LYS A 106
ALA A 157
GLY A 160
ALA A 217
 VX6  A 500 (-3.8A)
VX6  A 500 ( 4.8A)
VX6  A 500 (-3.4A)
VX6  A 500 (-3.3A)
VX6  A 500 (-3.7A)
VX6  A 500 (-3.3A)
VX6  A 500 ( 4.2A)
 0.80A 5zv2B-4af3A:
20.1		 5zv2B-4af3A:
13.70