SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'N13'


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
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)
3w18 AURORA KINASE A
(Homo
sapiens)
8 / 9 LEU A 139
GLY A 140
VAL A 147
ALA A 160
LEU A 194
TYR A 212
ALA A 213
LEU A 263
N13  A 501 (-3.7A)
None
N13  A 501 ( 4.7A)
N13  A 501 ( 4.1A)
N13  A 501 (-4.9A)
N13  A 501 (-4.4A)
N13  A 501 (-3.7A)
N13  A 501 (-4.5A)
0.74A 1muoA-3w18A:
16.6
1muoA-3w18A:
100.00
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.
1XBB_A_STIA1_1
(TYROSINE-PROTEIN
KINASE SYK)
3w18 AURORA KINASE A
(Homo
sapiens)
6 / 9 LEU A 139
VAL A 147
ALA A 160
ALA A 213
GLY A 216
LEU A 263
N13  A 501 (-3.7A)
N13  A 501 ( 4.7A)
N13  A 501 ( 4.1A)
N13  A 501 (-3.7A)
N13  A 501 (-3.5A)
N13  A 501 (-4.5A)
0.69A 1xbbA-3w18A:
21.7
1xbbA-3w18A:
25.65
Potential target for repurposing, i.e. matched protein structure has less than 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)
3w18 AURORA KINASE A
(Homo
sapiens)
5 / 9 LEU A 139
VAL A 147
LYS A 162
LEU A 196
LEU A 208
N13  A 501 (-3.7A)
N13  A 501 ( 4.7A)
N13  A 501 (-2.9A)
N13  A 501 ( 4.8A)
N13  A 501 (-4.9A)
0.52A 1xkkA-3w18A:
21.6
1xkkA-3w18A:
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.
2FUM_B_MIXB1539_1
(PROBABLE
SERINE/THREONINE-PRO
TEIN KINASE PKNB)
3w18 AURORA KINASE A
(Homo
sapiens)
7 / 12 LEU A 139
GLY A 140
VAL A 147
ALA A 160
TYR A 212
LYS A 258
ASN A 261
N13  A 501 (-3.7A)
None
N13  A 501 ( 4.7A)
N13  A 501 ( 4.1A)
N13  A 501 (-4.4A)
None
None
0.73A 2fumB-3w18A:
25.1
2fumB-3w18A:
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.
2FUM_C_MIXC2539_1
(PROBABLE
SERINE/THREONINE-PRO
TEIN KINASE PKNB)
3w18 AURORA KINASE A
(Homo
sapiens)
7 / 12 LEU A 139
GLY A 140
VAL A 147
ALA A 160
TYR A 212
THR A 217
ASN A 261
N13  A 501 (-3.7A)
None
N13  A 501 ( 4.7A)
N13  A 501 ( 4.1A)
N13  A 501 (-4.4A)
None
None
0.64A 2fumC-3w18A:
10.4
2fumC-3w18A:
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.
2FUM_D_MIXD3539_1
(PROBABLE
SERINE/THREONINE-PRO
TEIN KINASE PKNB)
3w18 AURORA KINASE A
(Homo
sapiens)
6 / 12 LEU A 139
GLY A 140
VAL A 147
ALA A 160
THR A 217
ASN A 261
N13  A 501 (-3.7A)
None
N13  A 501 ( 4.7A)
N13  A 501 ( 4.1A)
None
None
0.52A 2fumD-3w18A:
24.9
2fumD-3w18A:
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.
2IVU_A_ZD6A3015_0
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE RECEPTOR RET
PRECURSOR)
3w18 AURORA KINASE A
(Homo
sapiens)
7 / 12 LEU A 139
GLY A 140
VAL A 147
LEU A 208
TYR A 212
ALA A 213
LEU A 263
N13  A 501 (-3.7A)
None
N13  A 501 ( 4.7A)
N13  A 501 (-4.9A)
N13  A 501 (-4.4A)
N13  A 501 (-3.7A)
N13  A 501 (-4.5A)
0.60A 2ivuA-3w18A:
22.8
2ivuA-3w18A:
26.20
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.
2IVU_A_ZD6A3015_0
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE RECEPTOR RET
PRECURSOR)
3w18 AURORA KINASE A
(Homo
sapiens)
7 / 12 LEU A 139
VAL A 147
LYS A 162
LEU A 208
TYR A 212
ALA A 213
LEU A 263
N13  A 501 (-3.7A)
N13  A 501 ( 4.7A)
N13  A 501 (-2.9A)
N13  A 501 (-4.9A)
N13  A 501 (-4.4A)
N13  A 501 (-3.7A)
N13  A 501 (-4.5A)
0.65A 2ivuA-3w18A:
22.8
2ivuA-3w18A:
26.20
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.
2WGJ_A_VGHA2346_1
(HEPATOCYTE GROWTH
FACTOR RECEPTOR)
3w18 AURORA KINASE A
(Homo
sapiens)
8 / 12 GLY A 140
VAL A 147
ALA A 160
LEU A 194
LEU A 210
TYR A 212
GLY A 216
ALA A 273
None
N13  A 501 ( 4.7A)
N13  A 501 ( 4.1A)
N13  A 501 (-4.9A)
N13  A 501 ( 4.8A)
N13  A 501 (-4.4A)
N13  A 501 (-3.5A)
N13  A 501 ( 3.8A)
0.86A 2wgjA-3w18A:
22.1
2wgjA-3w18A:
26.75
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.
2XP2_A_VGHA9000_1
(TYROSINE-PROTEIN
KINASE RECEPTOR)
3w18 AURORA KINASE A
(Homo
sapiens)
6 / 9 LEU A 139
VAL A 147
ALA A 160
LEU A 210
GLY A 216
LEU A 263
N13  A 501 (-3.7A)
N13  A 501 ( 4.7A)
N13  A 501 ( 4.1A)
N13  A 501 ( 4.8A)
N13  A 501 (-3.5A)
N13  A 501 (-4.5A)
0.72A 2xp2A-3w18A:
22.1
2xp2A-3w18A:
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.
3AOX_A_EMHA901_1
(ALK TYROSINE KINASE
RECEPTOR)
3w18 AURORA KINASE A
(Homo
sapiens)
7 / 10 ARG A 137
LEU A 139
ALA A 160
LYS A 162
LEU A 210
GLY A 216
LEU A 263
N13  A 501 ( 4.6A)
N13  A 501 (-3.7A)
N13  A 501 ( 4.1A)
N13  A 501 (-2.9A)
N13  A 501 ( 4.8A)
N13  A 501 (-3.5A)
N13  A 501 (-4.5A)
1.17A 3aoxA-3w18A:
21.6
3aoxA-3w18A:
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.
3CS9_D_NILD600_2
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)
3w18 AURORA KINASE A
(Homo
sapiens)
4 / 6 LEU A 139
VAL A 147
LYS A 162
LEU A 263
N13  A 501 (-3.7A)
N13  A 501 ( 4.7A)
N13  A 501 (-2.9A)
N13  A 501 (-4.5A)
0.82A 3cs9D-3w18A:
21.6
3cs9D-3w18A:
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.
3G0E_A_B49A9000_1
(MAST/STEM CELL
GROWTH FACTOR
RECEPTOR)
3w18 AURORA KINASE A
(Homo
sapiens)
6 / 11 LEU A 139
VAL A 147
ALA A 160
TYR A 212
GLY A 216
LEU A 263
N13  A 501 (-3.7A)
N13  A 501 ( 4.7A)
N13  A 501 ( 4.1A)
N13  A 501 (-4.4A)
N13  A 501 (-3.5A)
N13  A 501 (-4.5A)
0.29A 3g0eA-3w18A:
21.0
3g0eA-3w18A:
24.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3G0F_A_B49A9001_1
(MAST/STEM CELL
GROWTH FACTOR
RECEPTOR)
3w18 AURORA KINASE A
(Homo
sapiens)
6 / 11 LEU A 139
VAL A 147
ALA A 160
TYR A 212
GLY A 216
LEU A 263
N13  A 501 (-3.7A)
N13  A 501 ( 4.7A)
N13  A 501 ( 4.1A)
N13  A 501 (-4.4A)
N13  A 501 (-3.5A)
N13  A 501 (-4.5A)
0.29A 3g0fA-3w18A:
21.8
3g0fA-3w18A:
24.78
Potential target for repurposing, i.e. matched protein structure has less than 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)
3w18 AURORA KINASE A
(Homo
sapiens)
6 / 10 LEU A 139
VAL A 147
ALA A 160
TYR A 212
GLY A 216
LEU A 263
N13  A 501 (-3.7A)
N13  A 501 ( 4.7A)
N13  A 501 ( 4.1A)
N13  A 501 (-4.4A)
N13  A 501 (-3.5A)
N13  A 501 (-4.5A)
0.20A 3g0fB-3w18A:
22.1
3g0fB-3w18A:
24.78
Potential target for repurposing, i.e. matched protein structure has less than 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)
3w18 AURORA KINASE A
(Homo
sapiens)
8 / 12 LEU A 139
VAL A 147
ALA A 160
LYS A 162
TYR A 212
GLY A 216
LEU A 263
ALA A 273
N13  A 501 (-3.7A)
N13  A 501 ( 4.7A)
N13  A 501 ( 4.1A)
N13  A 501 (-2.9A)
N13  A 501 (-4.4A)
N13  A 501 (-3.5A)
N13  A 501 (-4.5A)
N13  A 501 ( 3.8A)
0.86A 3g5dB-3w18A:
22.5
3g5dB-3w18A:
24.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OCT_A_1N1A663_1
(TYROSINE-PROTEIN
KINASE BTK)
3w18 AURORA KINASE A
(Homo
sapiens)
7 / 12 LEU A 139
VAL A 147
ALA A 160
LYS A 162
TYR A 212
GLY A 216
LEU A 263
N13  A 501 (-3.7A)
N13  A 501 ( 4.7A)
N13  A 501 ( 4.1A)
N13  A 501 (-2.9A)
N13  A 501 (-4.4A)
N13  A 501 (-3.5A)
N13  A 501 (-4.5A)
0.69A 3octA-3w18A:
22.5
3octA-3w18A:
25.35
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.
4ANQ_A_VGHA9000_1
(ALK TYROSINE KINASE
RECEPTOR)
3w18 AURORA KINASE A
(Homo
sapiens)
7 / 9 LEU A 139
VAL A 147
ALA A 160
LEU A 210
GLY A 216
LEU A 263
ALA A 273
N13  A 501 (-3.7A)
N13  A 501 ( 4.7A)
N13  A 501 ( 4.1A)
N13  A 501 ( 4.8A)
N13  A 501 (-3.5A)
N13  A 501 (-4.5A)
N13  A 501 ( 3.8A)
0.86A 4anqA-3w18A:
21.7
4anqA-3w18A:
24.57
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.
4C8B_A_0LIA1000_2
(RECEPTOR-INTERACTING
SERINE/THREONINE-PRO
TEIN KINASE 2)
3w18 AURORA KINASE A
(Homo
sapiens)
4 / 5 VAL A 147
ILE A 193
TYR A 212
ILE A 272
N13  A 501 ( 4.7A)
None
N13  A 501 (-4.4A)
None
0.38A 4c8bA-3w18A:
23.5
4c8bA-3w18A:
26.35
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.
4CKI_A_ADNA2022_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE RECEPTOR RET)
3w18 AURORA KINASE A
(Homo
sapiens)
8 / 11 LEU A 139
GLY A 140
VAL A 147
ALA A 160
TYR A 212
ALA A 213
GLY A 216
LEU A 263
N13  A 501 (-3.7A)
None
N13  A 501 ( 4.7A)
N13  A 501 ( 4.1A)
N13  A 501 (-4.4A)
N13  A 501 (-3.7A)
N13  A 501 (-3.5A)
N13  A 501 (-4.5A)
0.70A 4ckiA-3w18A:
22.6
4ckiA-3w18A:
26.20
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.
4CKJ_A_ADNA2014_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE RECEPTOR RET)
3w18 AURORA KINASE A
(Homo
sapiens)
8 / 10 LEU A 139
GLY A 140
GLY A 142
VAL A 147
ALA A 160
TYR A 212
ALA A 213
LEU A 263
N13  A 501 (-3.7A)
None
None
N13  A 501 ( 4.7A)
N13  A 501 ( 4.1A)
N13  A 501 (-4.4A)
N13  A 501 (-3.7A)
N13  A 501 (-4.5A)
0.57A 4ckjA-3w18A:
22.9
4ckjA-3w18A:
26.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4IAA_A_RTZA401_1
(SERINE/THREONINE-PRO
TEIN KINASE PIM-1)
3w18 AURORA KINASE A
(Homo
sapiens)
6 / 11 VAL A 147
ALA A 160
LYS A 162
LEU A 210
GLU A 260
LEU A 263
N13  A 501 ( 4.7A)
N13  A 501 ( 4.1A)
N13  A 501 (-2.9A)
N13  A 501 ( 4.8A)
None
N13  A 501 (-4.5A)
1.01A 4iaaA-3w18A:
25.2
4iaaA-3w18A:
31.37
Potential target for repurposing, i.e. matched protein structure has less than 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)
3w18 AURORA KINASE A
(Homo
sapiens)
7 / 12 LEU A 139
VAL A 147
ALA A 160
LYS A 162
LEU A 210
GLY A 216
LEU A 263
N13  A 501 (-3.7A)
N13  A 501 ( 4.7A)
N13  A 501 ( 4.1A)
N13  A 501 (-2.9A)
N13  A 501 ( 4.8A)
N13  A 501 (-3.5A)
N13  A 501 (-4.5A)
0.86A 4mkcA-3w18A:
21.9
4mkcA-3w18A:
23.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MXY_B_DB8B601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)
3w18 AURORA KINASE A
(Homo
sapiens)
8 / 12 LEU A 139
VAL A 147
ALA A 160
LYS A 162
TYR A 212
GLY A 216
LEU A 263
ALA A 273
N13  A 501 (-3.7A)
N13  A 501 ( 4.7A)
N13  A 501 ( 4.1A)
N13  A 501 (-2.9A)
N13  A 501 (-4.4A)
N13  A 501 (-3.5A)
N13  A 501 (-4.5A)
N13  A 501 ( 3.8A)
0.91A 4mxyB-3w18A:
22.5
4mxyB-3w18A:
24.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MXZ_B_DB8B601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)
3w18 AURORA KINASE A
(Homo
sapiens)
8 / 12 LEU A 139
VAL A 147
ALA A 160
LYS A 162
TYR A 212
GLY A 216
LEU A 263
ALA A 273
N13  A 501 (-3.7A)
N13  A 501 ( 4.7A)
N13  A 501 ( 4.1A)
N13  A 501 (-2.9A)
N13  A 501 (-4.4A)
N13  A 501 (-3.5A)
N13  A 501 (-4.5A)
N13  A 501 ( 3.8A)
0.91A 4mxzB-3w18A:
22.5
4mxzB-3w18A:
24.08
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)
3w18 AURORA KINASE A
(Homo
sapiens)
8 / 11 LEU A 139
GLY A 140
VAL A 147
ALA A 160
LEU A 194
THR A 217
ASN A 261
LEU A 263
N13  A 501 (-3.7A)
None
N13  A 501 ( 4.7A)
N13  A 501 ( 4.1A)
N13  A 501 (-4.9A)
None
None
N13  A 501 (-4.5A)
0.56A 4o0sA-3w18A:
33.5
4o0sA-3w18A:
100.00
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)
3w18 AURORA KINASE A
(Homo
sapiens)
8 / 11 LEU A 139
GLY A 140
VAL A 147
ALA A 160
LYS A 162
THR A 217
ASN A 261
LEU A 263
N13  A 501 (-3.7A)
None
N13  A 501 ( 4.7A)
N13  A 501 ( 4.1A)
N13  A 501 (-2.9A)
None
None
N13  A 501 (-4.5A)
0.85A 4o0sA-3w18A:
33.5
4o0sA-3w18A:
100.00
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)
3w18 AURORA KINASE A
(Homo
sapiens)
6 / 6 VAL A 147
ALA A 160
LYS A 162
LEU A 194
THR A 217
LEU A 263
N13  A 501 ( 4.7A)
N13  A 501 ( 4.1A)
N13  A 501 (-2.9A)
N13  A 501 (-4.9A)
None
N13  A 501 (-4.5A)
0.63A 4o0uA-3w18A:
17.0
4o0uA-3w18A:
99.64
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)
3w18 AURORA KINASE A
(Homo
sapiens)
6 / 6 LEU A 139
GLY A 140
VAL A 147
ALA A 160
THR A 217
LEU A 263
N13  A 501 (-3.7A)
None
N13  A 501 ( 4.7A)
N13  A 501 ( 4.1A)
None
N13  A 501 (-4.5A)
0.43A 4o0wA-3w18A:
34.0
4o0wA-3w18A:
99.64
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.
4OTW_A_DB8A1101_1
(RECEPTOR
TYROSINE-PROTEIN
KINASE ERBB-3)
3w18 AURORA KINASE A
(Homo
sapiens)
7 / 12 LEU A 139
VAL A 147
LYS A 162
TYR A 212
GLY A 216
LEU A 263
ALA A 273
N13  A 501 (-3.7A)
N13  A 501 ( 4.7A)
N13  A 501 (-2.9A)
N13  A 501 (-4.4A)
N13  A 501 (-3.5A)
N13  A 501 (-4.5A)
N13  A 501 ( 3.8A)
0.60A 4otwA-3w18A:
22.3
4otwA-3w18A:
23.89
Potential target for repurposing, i.e. matched protein structure has less than 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_A_AXIA601_1
(TYROSINE-PROTEIN
KINASE ABL1)
3w18 AURORA KINASE A
(Homo
sapiens)
8 / 12 LEU A 139
VAL A 147
ALA A 160
LYS A 162
GLY A 216
ASN A 261
LEU A 263
ALA A 273
N13  A 501 (-3.7A)
N13  A 501 ( 4.7A)
N13  A 501 ( 4.1A)
N13  A 501 (-2.9A)
N13  A 501 (-3.5A)
None
N13  A 501 (-4.5A)
N13  A 501 ( 3.8A)
0.80A 4twpA-3w18A:
22.4
4twpA-3w18A:
27.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TWP_B_AXIB601_1
(TYROSINE-PROTEIN
KINASE ABL1)
3w18 AURORA KINASE A
(Homo
sapiens)
8 / 12 LEU A 139
VAL A 147
ALA A 160
LYS A 162
GLY A 216
ASN A 261
LEU A 263
ALA A 273
N13  A 501 (-3.7A)
N13  A 501 ( 4.7A)
N13  A 501 ( 4.1A)
N13  A 501 (-2.9A)
N13  A 501 (-3.5A)
None
N13  A 501 (-4.5A)
N13  A 501 ( 3.8A)
0.83A 4twpB-3w18A:
22.4
4twpB-3w18A:
27.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TYJ_A_0LIA801_1
(FIBROBLAST GROWTH
FACTOR RECEPTOR 4)
3w18 AURORA KINASE A
(Homo
sapiens)
5 / 12 ALA A 160
ALA A 213
HIS A 254
LEU A 263
ALA A 273
N13  A 501 ( 4.1A)
N13  A 501 (-3.7A)
None
N13  A 501 (-4.5A)
N13  A 501 ( 3.8A)
0.60A 4tyjA-3w18A:
22.9
4tyjA-3w18A:
27.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TYJ_A_0LIA801_2
(FIBROBLAST GROWTH
FACTOR RECEPTOR 4)
3w18 AURORA KINASE A
(Homo
sapiens)
4 / 6 LEU A 139
VAL A 147
ILE A 193
ILE A 272
N13  A 501 (-3.7A)
N13  A 501 ( 4.7A)
None
None
0.35A 4tyjA-3w18A:
23.0
4tyjA-3w18A:
27.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4U0I_A_0LIA1001_1
(MAST/STEM CELL
GROWTH FACTOR
RECEPTOR
KIT,MAST/STEM CELL
GROWTH FACTOR
RECEPTOR KIT)
3w18 AURORA KINASE A
(Homo
sapiens)
6 / 10 LEU A 139
VAL A 147
LEU A 188
ILE A 193
TYR A 212
ILE A 272
N13  A 501 (-3.7A)
N13  A 501 ( 4.7A)
None
None
N13  A 501 (-4.4A)
None
0.75A 4u0iA-3w18A:
22.0
4u0iA-3w18A:
25.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4U5J_A_RXTA601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)
3w18 AURORA KINASE A
(Homo
sapiens)
8 / 11 LEU A 139
GLY A 142
VAL A 147
ALA A 160
TYR A 212
ASN A 261
LEU A 263
ALA A 273
N13  A 501 (-3.7A)
None
N13  A 501 ( 4.7A)
N13  A 501 ( 4.1A)
N13  A 501 (-4.4A)
None
N13  A 501 (-4.5A)
N13  A 501 ( 3.8A)
0.57A 4u5jA-3w18A:
16.8
4u5jA-3w18A:
24.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4U5J_A_RXTA601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)
3w18 AURORA KINASE A
(Homo
sapiens)
8 / 11 LEU A 139
VAL A 147
ALA A 160
TYR A 212
GLY A 216
ASN A 261
LEU A 263
ALA A 273
N13  A 501 (-3.7A)
N13  A 501 ( 4.7A)
N13  A 501 ( 4.1A)
N13  A 501 (-4.4A)
N13  A 501 (-3.5A)
None
N13  A 501 (-4.5A)
N13  A 501 ( 3.8A)
0.59A 4u5jA-3w18A:
16.8
4u5jA-3w18A:
24.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4U5J_B_RXTB601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)
3w18 AURORA KINASE A
(Homo
sapiens)
6 / 9 LEU A 139
VAL A 147
ALA A 160
TYR A 212
GLY A 216
LEU A 263
N13  A 501 (-3.7A)
N13  A 501 ( 4.7A)
N13  A 501 ( 4.1A)
N13  A 501 (-4.4A)
N13  A 501 (-3.5A)
N13  A 501 (-4.5A)
0.64A 4u5jB-3w18A:
16.7
4u5jB-3w18A:
24.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4V01_A_0LIA1776_2
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1
(FMS-RELATED
TYROSINE KINASE 2,
PFEIFFER SYNDROME),
ISOFORM CRA_B)
3w18 AURORA KINASE A
(Homo
sapiens)
6 / 9 LEU A 139
VAL A 147
LYS A 162
TYR A 212
LEU A 263
ILE A 272
N13  A 501 (-3.7A)
N13  A 501 ( 4.7A)
N13  A 501 (-2.9A)
N13  A 501 (-4.4A)
N13  A 501 (-4.5A)
None
0.66A 4v01A-3w18A:
22.3
4v01A-3w18A:
28.35
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.
4V01_B_0LIB1770_2
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1
(FMS-RELATED
TYROSINE KINASE 2,
PFEIFFER SYNDROME),
ISOFORM CRA_B)
3w18 AURORA KINASE A
(Homo
sapiens)
6 / 9 LEU A 139
VAL A 147
LYS A 162
TYR A 212
LEU A 263
ILE A 272
N13  A 501 (-3.7A)
N13  A 501 ( 4.7A)
N13  A 501 (-2.9A)
N13  A 501 (-4.4A)
N13  A 501 (-4.5A)
None
0.72A 4v01B-3w18A:
22.8
4v01B-3w18A:
28.35
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.
4V04_A_0LIA1772_2
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1
(FMS-RELATED
TYROSINE KINASE 2,
PFEIFFER SYNDROME),
ISOFORM CRA_B)
3w18 AURORA KINASE A
(Homo
sapiens)
4 / 8 LYS A 162
TYR A 212
LEU A 263
ILE A 272
N13  A 501 (-2.9A)
N13  A 501 (-4.4A)
N13  A 501 (-4.5A)
None
0.58A 4v04A-3w18A:
21.9
4v04A-3w18A:
28.35
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.
4V04_B_0LIB1771_1
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1
(FMS-RELATED
TYROSINE KINASE 2,
PFEIFFER SYNDROME),
ISOFORM CRA_B)
3w18 AURORA KINASE A
(Homo
sapiens)
6 / 10 LEU A 139
VAL A 147
LYS A 162
TYR A 212
LEU A 263
ILE A 272
N13  A 501 (-3.7A)
N13  A 501 ( 4.7A)
N13  A 501 (-2.9A)
N13  A 501 (-4.4A)
N13  A 501 (-4.5A)
None
0.54A 4v04B-3w18A:
22.3
4v04B-3w18A:
28.35
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.
4WA9_A_AXIA9000_1
(TYROSINE-PROTEIN
KINASE ABL1)
3w18 AURORA KINASE A
(Homo
sapiens)
6 / 11 ALA A 160
LYS A 146
GLY A 216
ASN A 261
LEU A 263
ALA A 273
N13  A 501 ( 4.1A)
None
N13  A 501 (-3.5A)
None
N13  A 501 (-4.5A)
N13  A 501 ( 3.8A)
0.78A 4wa9A-3w18A:
20.5
4wa9A-3w18A:
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.
4WA9_A_AXIA9000_1
(TYROSINE-PROTEIN
KINASE ABL1)
3w18 AURORA KINASE A
(Homo
sapiens)
6 / 11 ALA A 160
LYS A 162
GLY A 216
ASN A 261
LEU A 263
ALA A 273
N13  A 501 ( 4.1A)
N13  A 501 (-2.9A)
N13  A 501 (-3.5A)
None
N13  A 501 (-4.5A)
N13  A 501 ( 3.8A)
1.01A 4wa9A-3w18A:
20.5
4wa9A-3w18A:
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.
4WBO_C_ANWC601_0
(RHODOPSIN KINASE)
3w18 AURORA KINASE A
(Homo
sapiens)
4 / 6 ARG A 137
LEU A 139
ALA A 160
LEU A 263
N13  A 501 ( 4.6A)
N13  A 501 (-3.7A)
N13  A 501 ( 4.1A)
N13  A 501 (-4.5A)
0.75A 4wboC-3w18A:
22.7
4wboC-3w18A:
21.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XEY_A_1N1A601_1
(TYROSINE-PROTEIN
KINASE ABL1)
3w18 AURORA KINASE A
(Homo
sapiens)
7 / 12 LEU A 139
VAL A 147
ALA A 160
LYS A 162
GLY A 216
LEU A 263
ALA A 273
N13  A 501 (-3.7A)
N13  A 501 ( 4.7A)
N13  A 501 ( 4.1A)
N13  A 501 (-2.9A)
N13  A 501 (-3.5A)
N13  A 501 (-4.5A)
N13  A 501 ( 3.8A)
0.80A 4xeyA-3w18A:
22.4
4xeyA-3w18A:
22.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XLI_A_1N1A601_1
(NON-SPECIFIC
PROTEIN-TYROSINE
KINASE)
3w18 AURORA KINASE A
(Homo
sapiens)
7 / 12 LEU A 139
ALA A 160
LYS A 162
TYR A 212
GLY A 216
LEU A 263
ALA A 273
N13  A 501 (-3.7A)
N13  A 501 ( 4.1A)
N13  A 501 (-2.9A)
N13  A 501 (-4.4A)
N13  A 501 (-3.5A)
N13  A 501 (-4.5A)
N13  A 501 ( 3.8A)
0.64A 4xliA-3w18A:
22.6
4xliA-3w18A:
27.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5AAA_A_VGHA9000_1
(ALK TYROSINE KINASE
RECEPTOR)
3w18 AURORA KINASE A
(Homo
sapiens)
6 / 9 LEU A 139
VAL A 147
ALA A 160
LEU A 210
GLY A 216
LEU A 263
N13  A 501 (-3.7A)
N13  A 501 ( 4.7A)
N13  A 501 ( 4.1A)
N13  A 501 ( 4.8A)
N13  A 501 (-3.5A)
N13  A 501 (-4.5A)
0.76A 5aaaA-3w18A:
21.9
5aaaA-3w18A:
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.
5AAB_A_VGHA9000_1
(ALK TYROSINE KINASE
RECEPTOR)
3w18 AURORA KINASE A
(Homo
sapiens)
7 / 10 LEU A 139
VAL A 147
ALA A 160
LYS A 162
LEU A 210
GLY A 216
LEU A 263
N13  A 501 (-3.7A)
N13  A 501 ( 4.7A)
N13  A 501 ( 4.1A)
N13  A 501 (-2.9A)
N13  A 501 ( 4.8A)
N13  A 501 (-3.5A)
N13  A 501 (-4.5A)
0.75A 5aabA-3w18A:
21.9
5aabA-3w18A:
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.
5AAC_A_VGHA9000_1
(ALK TYROSINE KINASE
RECEPTOR)
3w18 AURORA KINASE A
(Homo
sapiens)
7 / 10 LEU A 139
VAL A 147
ALA A 160
LYS A 162
LEU A 210
GLY A 216
LEU A 263
N13  A 501 (-3.7A)
N13  A 501 ( 4.7A)
N13  A 501 ( 4.1A)
N13  A 501 (-2.9A)
N13  A 501 ( 4.8A)
N13  A 501 (-3.5A)
N13  A 501 (-4.5A)
0.71A 5aacA-3w18A:
21.8
5aacA-3w18A:
25.07
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)
3w18 AURORA KINASE A
(Homo
sapiens)
6 / 12 LEU A 139
ALA A 160
LYS A 162
GLY A 216
LEU A 263
ALA A 273
N13  A 501 (-3.7A)
N13  A 501 ( 4.1A)
N13  A 501 (-2.9A)
N13  A 501 (-3.5A)
N13  A 501 (-4.5A)
N13  A 501 ( 3.8A)
0.82A 5ajqA-3w18A:
24.4
5ajqA-3w18A:
33.01
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.
5BVW_A_1N1A1009_1
(EPITHELIAL DISCOIDIN
DOMAIN-CONTAINING
RECEPTOR 1)
3w18 AURORA KINASE A
(Homo
sapiens)
8 / 12 LEU A 139
VAL A 147
ALA A 160
LYS A 162
TYR A 212
GLY A 216
LEU A 263
ALA A 273
N13  A 501 (-3.7A)
N13  A 501 ( 4.7A)
N13  A 501 ( 4.1A)
N13  A 501 (-2.9A)
N13  A 501 (-4.4A)
N13  A 501 (-3.5A)
N13  A 501 (-4.5A)
N13  A 501 ( 3.8A)
0.66A 5bvwA-3w18A:
17.7
5bvwA-3w18A:
26.71
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.
5H2U_A_1N1A501_1
(PROTEIN-TYROSINE
KINASE 6)
3w18 AURORA KINASE A
(Homo
sapiens)
6 / 12 LEU A 139
VAL A 147
ALA A 160
LEU A 194
GLY A 216
LEU A 263
N13  A 501 (-3.7A)
N13  A 501 ( 4.7A)
N13  A 501 ( 4.1A)
N13  A 501 (-4.9A)
N13  A 501 (-3.5A)
N13  A 501 (-4.5A)
0.83A 5h2uA-3w18A:
18.7
5h2uA-3w18A:
27.97
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.
5H2U_B_1N1B501_1
(PROTEIN-TYROSINE
KINASE 6)
3w18 AURORA KINASE A
(Homo
sapiens)
6 / 12 LEU A 139
VAL A 147
ALA A 160
LEU A 194
GLY A 216
LEU A 263
N13  A 501 (-3.7A)
N13  A 501 ( 4.7A)
N13  A 501 ( 4.1A)
N13  A 501 (-4.9A)
N13  A 501 (-3.5A)
N13  A 501 (-4.5A)
0.84A 5h2uB-3w18A:
23.0
5h2uB-3w18A:
27.97
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)
3w18 AURORA KINASE A
(Homo
sapiens)
8 / 11 LEU A 139
GLY A 140
VAL A 147
ALA A 160
LEU A 210
TYR A 212
ALA A 213
LEU A 263
N13  A 501 (-3.7A)
None
N13  A 501 ( 4.7A)
N13  A 501 ( 4.1A)
N13  A 501 ( 4.8A)
N13  A 501 (-4.4A)
N13  A 501 (-3.7A)
N13  A 501 (-4.5A)
0.48A 5lvnA-3w18A:
21.3
5lvnA-3w18A:
32.56
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.
5ZV2_A_LEVA801_1
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1)
3w18 AURORA KINASE A
(Homo
sapiens)
7 / 12 LEU A 139
VAL A 147
ALA A 160
TYR A 212
ALA A 213
GLY A 216
ALA A 273
N13  A 501 (-3.7A)
N13  A 501 ( 4.7A)
N13  A 501 ( 4.1A)
N13  A 501 (-4.4A)
N13  A 501 (-3.7A)
N13  A 501 (-3.5A)
N13  A 501 ( 3.8A)
0.39A 5zv2A-3w18A:
22.3
5zv2A-3w18A:
13.31
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.
5ZV2_B_LEVB801_1
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1)
3w18 AURORA KINASE A
(Homo
sapiens)
7 / 12 LEU A 139
VAL A 147
ALA A 160
LYS A 162
ALA A 213
GLY A 216
ALA A 273
N13  A 501 (-3.7A)
N13  A 501 ( 4.7A)
N13  A 501 ( 4.1A)
N13  A 501 (-2.9A)
N13  A 501 (-3.7A)
N13  A 501 (-3.5A)
N13  A 501 ( 3.8A)
0.66A 5zv2B-3w18A:
22.3
5zv2B-3w18A:
13.31
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.
6F88_B_STRB502_1
(CYTOCHROME P450
CYP260A1)
3w18 AURORA KINASE A
(Homo
sapiens)
4 / 6 LEU A 263
ALA A 273
LEU A 139
ASN A 146
N13  A 501 (-4.5A)
N13  A 501 ( 3.8A)
N13  A 501 (-3.7A)
None
0.93A 6f88B-3w18A:
undetectable
6f88B-3w18A:
12.23