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.
4XNX_A_41XA707_1
(TRANSPORTER)
1d1t ALCOHOL
DEHYDROGENASE CLASS
IV SIGMA CHAIN
(Homo
sapiens)
5 / 11PHE A 176
ALA A 183
VAL A 184
SER A 177
GLY A 179
None
1.20A21.42
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.
4XNX_A_41XA707_1
(TRANSPORTER)
1nvp TRANSCRIPTION
INITIATION FACTOR
IIA ALPHA CHAIN
TRANSCRIPTION
INITIATION FACTOR
IIA BETA CHAIN
TRANSCRIPTION
INITIATION FACTOR
IIA GAMMA CHAIN
(Homo
sapiens)
5 / 11ASP C 364
ALA D  47
TYR B  14
GLY C 356
VAL D  52
None
1.08A9.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XNX_A_41XA707_1
(TRANSPORTER)
1u3t ALCOHOL
DEHYDROGENASE ALPHA
CHAIN
(Homo
sapiens)
5 / 11PHE A 176
ALA A 183
VAL A 184
SER A 177
GLY A 179
None
1.24A21.26
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.
4XNX_A_41XA707_1
(TRANSPORTER)
2kt1 PHOSPHATIDYLINOSITOL
3-KINASE REGULATORY
SUBUNIT BETA
(Homo
sapiens)
5 / 11PHE A  70
ASP A  69
VAL A  54
VAL A  75
GLY A  72
None
1.22A10.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XNX_A_41XA707_1
(TRANSPORTER)
4nre ARACHIDONATE
15-LIPOXYGENASE B
(Homo
sapiens)
5 / 11PHE A 547
ASP A 459
ALA A 554
VAL A 556
GLY A 477
None
None
GOL  A 718 (-2.9A)
None
None
1.24A23.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XNX_A_41XA707_1
(TRANSPORTER)
5epg ALDEHYDE OXIDASE
(Homo
sapiens)
5 / 11ASP A1093
VAL A1163
TYR A1161
SER A1265
GLY A1192
None
1.07A17.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XNX_A_41XA707_1
(TRANSPORTER)
5fur TRANSCRIPTION
INITIATION FACTOR
IIA SUBUNIT 1
TRANSCRIPTION
INITIATION FACTOR
IIA SUBUNIT 2
(Homo
sapiens)
5 / 11ASP C 364
ALA D  47
TYR B  14
GLY C 356
VAL D  52
None
1.13A6.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4XNX_A_41XA707_1
(TRANSPORTER)
5i6z SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER
(Homo
sapiens)
8 / 11ASP A  98
ALA A 169
TYR A 175
TYR A 176
GLY A 338
VAL A 343
SER A 438
GLY A 442
None
0.53A53.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XNX_A_41XA707_1
(TRANSPORTER)
5m4s TRANSCRIPTION
INITIATION FACTOR
IIA SUBUNIT
2,TRANSCRIPTION
INITIATION FACTOR
IIA SUBUNIT
1,TRANSCRIPTION
INITIATION FACTOR
IIA SUBUNIT 1
(Homo
sapiens)
5 / 11ASP A 198
ALA A  47
VAL A 119
GLY A 190
VAL A  52
None
1.22A10.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XNX_A_41XA707_1
(TRANSPORTER)
5mc5 XAA-PRO DIPEPTIDASE
(Homo
sapiens)
5 / 11PHE A 371
VAL A 386
TYR A 382
VAL A 185
GLY A 380
None
None
GOL  A 506 ( 4.5A)
None
None
1.26A11.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XNX_A_41XA707_1
(TRANSPORTER)
6eoq DIPEPTIDYL PEPTIDASE
9
(Homo
sapiens)
5 / 11PHE A 734
VAL A 643
TYR A 644
GLY A 698
GLY A 733
None
1.02A8.38