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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4L9Q_A_9TPA601_1
(SERUM ALBUMIN)
1tf0 SERUM ALBUMIN
(Homo
sapiens)
6 / 12ARG A 117
ALA A 126
ILE A 142
HIS A 146
ARG A 186
GLY A 189
None
1.18A100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4L9Q_A_9TPA601_1
(SERUM ALBUMIN)
1tf0 SERUM ALBUMIN
(Homo
sapiens)
7 / 12LEU A 115
TYR A 138
ILE A 142
HIS A 146
LEU A 182
ARG A 186
GLY A 189
None
0.72A100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4L9Q_A_9TPA601_1
(SERUM ALBUMIN)
1tf0 SERUM ALBUMIN
(Homo
sapiens)
6 / 12PRO A 118
ALA A 126
LYS A 137
ILE A 142
LEU A 182
ARG A 186
None
0.82A100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4L9Q_A_9TPA601_1
(SERUM ALBUMIN)
1tf0 SERUM ALBUMIN
(Homo
sapiens)
9 / 12PRO A 118
ALA A 126
TYR A 138
ILE A 142
HIS A 146
TYR A 161
LEU A 182
ARG A 186
GLY A 189
None
0.54A100.00
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.
4L9Q_A_9TPA601_1
(SERUM ALBUMIN)
2xnh DNA TOPOISOMERASE
2-BINDING PROTEIN 1
(Homo
sapiens)
5 / 12LEU A 167
PRO A 169
TYR A 156
LEU A 201
GLY A 274
None
IOD  A1299 ( 4.7A)
None
None
None
1.32A18.26
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.
4L9Q_A_9TPA601_1
(SERUM ALBUMIN)
4fys AMINOPEPTIDASE N
(Homo
sapiens)
5 / 12LEU A 390
ALA A 281
ILE A 300
LEU A 338
GLY A 297
None
1.27A21.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4L9Q_A_9TPA601_1
(SERUM ALBUMIN)
4gg2 GAMMA-GLUTAMYLTRANSP
EPTIDASE 1 HEAVY
CHAIN
(Homo
sapiens)
5 / 12PRO A 159
ALA A  57
TYR A 141
ILE A 138
GLY A  86
None
1.08A21.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4L9Q_A_9TPA601_1
(SERUM ALBUMIN)
4jy4 PGT121 HEAVY CHAIN
(Homo
sapiens)
5 / 12LEU B  69
ILE B  37
TYR B  90
LEU B  20
GLY B 102
None
1.35A16.49
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.
4L9Q_A_9TPA601_1
(SERUM ALBUMIN)
4um8 INTEGRIN BETA-6
(Homo
sapiens)
5 / 12LEU B 121
ALA B 331
ILE B 239
HIS B 195
LEU B 118
None
1.32A19.73
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.
4L9Q_A_9TPA601_2
(SERUM ALBUMIN)
1igr INSULIN-LIKE GROWTH
FACTOR RECEPTOR 1
(Homo
sapiens)
4 / 4VAL A  60
GLU A  91
ASP A  97
LYS A 143
None
1.26A20.92
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.
4L9Q_A_9TPA601_2
(SERUM ALBUMIN)
2uzx HEPATOCYTE GROWTH
FACTOR RECEPTOR
(Homo
sapiens)
4 / 4VAL B 237
GLU B 293
ASP B 231
LYS B 414
None
1.33A21.54
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.
4L9Q_A_9TPA601_2
(SERUM ALBUMIN)
3kul EPHRIN TYPE-A
RECEPTOR 8
(Homo
sapiens)
4 / 4VAL A 702
GLU A 684
ASP A 692
LYS A 775
None
1.42A18.87
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.
4L9Q_A_9TPA601_2
(SERUM ALBUMIN)
3zfx EPHRIN TYPE-B
RECEPTOR 1
(Homo
sapiens)
4 / 4VAL A 686
GLU A 668
ASP A 676
LYS A 759
None
1.48A17.77
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.
4L9Q_B_9TPB601_1
(SERUM ALBUMIN)
1kfu M-CALPAIN LARGE
SUBUNIT
(Homo
sapiens)
5 / 12LEU L 232
ALA L 212
ILE L 284
LEU L 116
GLY L 322
None
1.18A22.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4L9Q_B_9TPB601_1
(SERUM ALBUMIN)
1tf0 SERUM ALBUMIN
(Homo
sapiens)
9 / 12LEU A 115
PRO A 118
TYR A 138
ILE A 142
HIS A 146
TYR A 161
LEU A 182
LEU A 185
GLY A 189
None
0.77A100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4L9Q_B_9TPB601_1
(SERUM ALBUMIN)
1tf0 SERUM ALBUMIN
(Homo
sapiens)
9 / 12LEU A 115
PRO A 118
TYR A 138
ILE A 142
TYR A 161
LEU A 182
LEU A 185
GLY A 189
LYS A 190
None
1.10A100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4L9Q_B_9TPB601_1
(SERUM ALBUMIN)
1tf0 SERUM ALBUMIN
(Homo
sapiens)
9 / 12PRO A 118
ALA A 126
TYR A 138
ILE A 142
HIS A 146
TYR A 161
LEU A 182
LEU A 185
GLY A 189
None
0.48A100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4L9Q_B_9TPB601_1
(SERUM ALBUMIN)
1tf0 SERUM ALBUMIN
(Homo
sapiens)
9 / 12PRO A 118
ALA A 126
TYR A 138
ILE A 142
TYR A 161
LEU A 182
LEU A 185
GLY A 189
LYS A 190
None
0.93A100.00
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.
4L9Q_B_9TPB601_1
(SERUM ALBUMIN)
2y6e UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 4
(Homo
sapiens)
5 / 12ILE A 447
HIS A 406
LEU A 398
LEU A 401
GLY A 404
None
1.03A21.59
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.
4L9Q_B_9TPB601_1
(SERUM ALBUMIN)
3a6p EXPORTIN-5
(Homo
sapiens)
5 / 12ALA A 302
ILE A 273
LEU A 228
LEU A 231
GLY A 233
None
1.04A20.10
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.
4L9Q_B_9TPB601_1
(SERUM ALBUMIN)
3lre KINESIN-LIKE PROTEIN
KIF18A
(Homo
sapiens)
5 / 12ALA A 117
TYR A 348
TYR A 112
LEU A 285
LEU A 288
ADP  A 500 (-4.4A)
None
None
None
None
1.14A19.87
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.
4L9Q_B_9TPB601_1
(SERUM ALBUMIN)
3lre KINESIN-LIKE PROTEIN
KIF18A
(Homo
sapiens)
5 / 12LYS A 347
TYR A 348
TYR A 112
LEU A 285
LEU A 288
None
1.24A19.87
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.
4L9Q_B_9TPB601_1
(SERUM ALBUMIN)
3n3k UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 8
(Homo
sapiens)
5 / 12ILE A 922
HIS A 881
LEU A 873
LEU A 876
GLY A 879
None
1.01A20.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4L9Q_B_9TPB601_1
(SERUM ALBUMIN)
3snh DYNAMIN-1
(Homo
sapiens)
5 / 12PRO A 627
ALA A 618
ILE A 585
LEU A 588
LEU A 603
None
1.18A21.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4L9Q_B_9TPB601_1
(SERUM ALBUMIN)
4n78 CYTOPLASMIC
FMR1-INTERACTING
PROTEIN 1
(Homo
sapiens)
5 / 12LEU A 398
ALA A 475
LEU A 363
LEU A 464
GLY A 460
None
1.21A18.51
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.
4L9Q_B_9TPB601_1
(SERUM ALBUMIN)
5a3f DYNAMIN 3
(Homo
sapiens)
5 / 12PRO A 623
ALA A 614
ILE A 581
LEU A 584
LEU A 599
None
0.95A22.55
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.
4L9Q_B_9TPB601_1
(SERUM ALBUMIN)
5la7 HEPARANASE
(Homo
sapiens)
5 / 12LEU A  92
ALA A 388
LEU A  80
LEU A  83
GLY A  86
None
1.13A22.31
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.
4L9Q_B_9TPB601_1
(SERUM ALBUMIN)
6gct NEUTRAL AMINO ACID
TRANSPORTER B(0)
(Homo
sapiens)
5 / 12ALA A 428
ILE A 281
LEU A 100
LEU A  97
GLY A  93
None
1.11A9.72
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.
4L9Q_B_9TPB601_1
(SERUM ALBUMIN)
6gct NEUTRAL AMINO ACID
TRANSPORTER B(0)
(Homo
sapiens)
5 / 12LEU A 149
ALA A 157
LYS A 304
TYR A 305
HIS A 313
None
1.15A9.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4L9Q_B_9TPB601_2
(SERUM ALBUMIN)
1tf0 SERUM ALBUMIN
(Homo
sapiens)
4 / 4ARG A 117
GLU A 141
ASP A 183
ARG A 186
None
0.98A100.00