POTENTIAL TARGETS FROM HUMAN (RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES)
1) User may click on the DrReposER ID (the second column) to get information on the binding sites and drug molecule.
2) Click View (the second last column) to view matched residues and superposition in the NGL viewer (upper right part).
3) User may also click on the Dock (the last column) to get script for molecular docking in UCSF Chimera through AutoDock Vina.


DrReposER ID / Desc. Hit
PDBID
Hit
Macromolecule
Res.
Matches
Interface HETATM RMSD 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.
1SA1_B_PODB700_1
(TUBULIN ALPHA CHAIN
TUBULIN BETA CHAIN)
1awb MYO-INOSITOL
MONOPHOSPHATASE
(Homo
sapiens)
5 / 12VAL A 193
LEU A 235
ALA A 252
ASN A 199
VAL A 148
None
1.09A21.51
18.36
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.
1SA1_B_PODB700_1
(TUBULIN ALPHA CHAIN
TUBULIN BETA CHAIN)
1xqs HSPBP1 PROTEIN
(Homo
sapiens)
5 / 12VAL A 248
LEU A 195
ALA A 208
ALA A 238
VAL A 234
None
1.10A20.54
21.12
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.
1SA1_B_PODB700_1
(TUBULIN ALPHA CHAIN
TUBULIN BETA CHAIN)
2irw CORTICOSTEROID
11-BETA-DEHYDROGENAS
E ISOZYME 1
(Homo
sapiens)
5 / 12CYH A  78
LEU A  79
ALA A  83
MET A 110
ALA A  51
None
1.04A19.18
18.60
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.
1SA1_B_PODB700_1
(TUBULIN ALPHA CHAIN
TUBULIN BETA CHAIN)
3zyx AMINE OXIDASE
[FLAVIN-CONTAINING]
B
(Homo
sapiens)
5 / 12LEU A  22
ALA A 447
LEU A 451
MET A 454
VAL A  30
None
0.98A20.70
20.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1SA1_B_PODB700_1
(TUBULIN ALPHA CHAIN
TUBULIN BETA CHAIN)
4chb KELCH-LIKE PROTEIN 2
(Homo
sapiens)
5 / 12VAL A 444
ALA A 419
LEU A 401
ALA A 471
ALA A 431
None
1.18A21.49
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.
1SA1_B_PODB700_1
(TUBULIN ALPHA CHAIN
TUBULIN BETA CHAIN)
4piv FATTY ACID SYNTHASE
(Homo
sapiens)
5 / 12LEU A1336
ALA A1310
LYS A1241
LEU A1312
VAL A1245
None
1.14A21.02
20.09
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.
1SA1_B_PODB700_1
(TUBULIN ALPHA CHAIN
TUBULIN BETA CHAIN)
5a2e T-CELL
DIFFERENTIATION
ANTIGEN CD6
(Homo
sapiens)
5 / 12ALA A  78
LEU A 127
ALA A 151
VAL A 153
ALA A  94
None
0.94A19.14
20.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1SA1_B_PODB700_1
(TUBULIN ALPHA CHAIN
TUBULIN BETA CHAIN)
5jpn COMPLEMENT C4-A
(Homo
sapiens)
5 / 12ALA B1213
LEU B1200
ALA B1143
VAL B1139
ALA B1192
None
1.06A20.00
20.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1SA1_B_PODB700_1
(TUBULIN ALPHA CHAIN
TUBULIN BETA CHAIN)
5n5n TUBULIN BETA CHAIN
(Homo
sapiens)
5 / 12ALA B 250
LEU B 255
ASN B 258
MET B 259
ALA B 316
None
1.11A40.88
97.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1SA1_B_PODB700_1
(TUBULIN ALPHA CHAIN
TUBULIN BETA CHAIN)
5n5n TUBULIN BETA CHAIN
(Homo
sapiens)
5 / 12CYH B 241
LEU B 242
LEU B 252
VAL B 318
ALA B 354
None
1.02A40.88
97.89
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.
1SA1_B_PODB700_1
(TUBULIN ALPHA CHAIN
TUBULIN BETA CHAIN)
5wp6 TRANSIENT RECEPTOR
POTENTIAL CATION
CHANNEL SUBFAMILY M
MEMBER 4
(Homo
sapiens)
5 / 12LEU A 138
ALA A 169
ASN A 228
ALA A 185
ALA A 146
None
1.12A11.65
11.26
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.
1SA1_B_PODB700_1
(TUBULIN ALPHA CHAIN
TUBULIN BETA CHAIN)
5xzx IMPORTIN SUBUNIT
ALPHA-3
(Homo
sapiens)
5 / 12CYH A 122
LEU A 123
ALA A 135
LEU A 139
ALA A  80
None
1.03A23.66
21.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1SA1_D_PODD701_1
(TUBULIN ALPHA CHAIN
TUBULIN BETA CHAIN)
1awb MYO-INOSITOL
MONOPHOSPHATASE
(Homo
sapiens)
5 / 12VAL A 193
LEU A 235
ALA A 252
ASN A 199
VAL A 148
None
1.07A21.51
18.36
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.
1SA1_D_PODD701_1
(TUBULIN ALPHA CHAIN
TUBULIN BETA CHAIN)
1xqs HSPBP1 PROTEIN
(Homo
sapiens)
5 / 12VAL A 248
LEU A 195
ALA A 208
ALA A 238
VAL A 234
None
1.08A20.54
21.12
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.
1SA1_D_PODD701_1
(TUBULIN ALPHA CHAIN
TUBULIN BETA CHAIN)
2irw CORTICOSTEROID
11-BETA-DEHYDROGENAS
E ISOZYME 1
(Homo
sapiens)
5 / 12CYH A  78
LEU A  79
ALA A  83
MET A 110
ALA A  51
None
0.99A19.18
18.60
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.
1SA1_D_PODD701_1
(TUBULIN ALPHA CHAIN
TUBULIN BETA CHAIN)
2vfa HYPOXANTHINE-GUANINE
-XANTHINE
PHOSPHORIBOSYLTRANSF
ERASE,
HYPOXANTHINE-GUANINE
PHOSPHORIBOSYLTRANSF
ERASE
(Homo
sapiens;
Plasmodium
falciparum)
5 / 12ALA A  58
MET A 103
ALA A  72
VAL A 141
ALA A 169
None
1.20A19.08
17.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1SA1_D_PODD701_1
(TUBULIN ALPHA CHAIN
TUBULIN BETA CHAIN)
3zyx AMINE OXIDASE
[FLAVIN-CONTAINING]
B
(Homo
sapiens)
5 / 12LEU A  22
ALA A 447
LEU A 451
MET A 454
VAL A  30
None
1.00A20.70
20.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1SA1_D_PODD701_1
(TUBULIN ALPHA CHAIN
TUBULIN BETA CHAIN)
4a11 DNA EXCISION REPAIR
PROTEIN ERCC-8
(Homo
sapiens)
5 / 12LEU B 261
ASN B 289
VAL B 211
LYS B 247
ALA B 205
None
1.20A21.88
23.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1SA1_D_PODD701_1
(TUBULIN ALPHA CHAIN
TUBULIN BETA CHAIN)
5a2e T-CELL
DIFFERENTIATION
ANTIGEN CD6
(Homo
sapiens)
5 / 12ALA A  78
LEU A 127
ALA A 151
VAL A 153
ALA A  94
None
0.96A19.14
20.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1SA1_D_PODD701_1
(TUBULIN ALPHA CHAIN
TUBULIN BETA CHAIN)
5jpn COMPLEMENT C4-A
(Homo
sapiens)
5 / 12ALA B1213
LEU B1200
ALA B1143
VAL B1139
ALA B1192
None
1.06A20.00
20.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1SA1_D_PODD701_1
(TUBULIN ALPHA CHAIN
TUBULIN BETA CHAIN)
5n5n TUBULIN BETA CHAIN
(Homo
sapiens)
5 / 12ALA B 250
LEU B 255
ASN B 258
MET B 259
ALA B 316
None
1.12A40.88
97.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1SA1_D_PODD701_1
(TUBULIN ALPHA CHAIN
TUBULIN BETA CHAIN)
5n5n TUBULIN BETA CHAIN
(Homo
sapiens)
5 / 12CYH B 241
LEU B 242
LEU B 252
VAL B 318
ALA B 354
None
1.01A40.88
97.89
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.
1SA1_D_PODD701_1
(TUBULIN ALPHA CHAIN
TUBULIN BETA CHAIN)
5vni PROTEIN TRANSPORT
PROTEIN SEC24A
(Homo
sapiens)
5 / 12VAL B 892
LEU B 400
ALA B 403
LEU B 405
ALA B 838
None
1.19A20.53
20.88
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.
1SA1_D_PODD701_1
(TUBULIN ALPHA CHAIN
TUBULIN BETA CHAIN)
5wp6 TRANSIENT RECEPTOR
POTENTIAL CATION
CHANNEL SUBFAMILY M
MEMBER 4
(Homo
sapiens)
5 / 12LEU A 138
ALA A 169
ASN A 228
ALA A 185
ALA A 146
None
1.15A11.65
11.26