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.
1XQL_A_4AXA605_1
(ALANINE RACEMASE)
2ifd M-PHASE INDUCER
PHOSPHATASE 2
(Homo
sapiens)
4 / 8CYH A 473
TYR A 528
ARG A 479
TYR A 512
SO4  A 551 (-3.9A)
None
SO4  A 551 (-3.9A)
None
1.47A18.94
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.
1XQL_A_4AXA605_1
(ALANINE RACEMASE)
3hd6 AMMONIUM TRANSPORTER
RH TYPE C
(Homo
sapiens)
4 / 8TYR A  84
CYH A 429
ARG A 201
TYR A 435
None
1.21A22.03
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.
1XQL_A_4AXA605_1
(ALANINE RACEMASE)
4cgy DNA TOPOISOMERASE
3-ALPHA
(Homo
sapiens)
4 / 8PHE A 178
TYR A 362
CYH A 149
ARG A 175
None
1.42A21.03
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.
1XQL_A_4AXA605_1
(ALANINE RACEMASE)
4ykn PHOSPHATIDYLINOSITOL
3-KINASE REGULATORY
SUBUNIT
ALPHA,PHOSPHATIDYLIN
OSITOL
4,5-BISPHOSPHATE
3-KINASE CATALYTIC
SUBUNIT ALPHA
ISOFORM FUSION
PROTEIN
(Homo
sapiens)
4 / 8TYR A 470
LYS A 567
TYR A 463
TYR A 467
None
1.49A13.93
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.
1XQL_A_4AXA605_1
(ALANINE RACEMASE)
4z0v 2',5'-PHOSPHODIESTER
ASE 12
(Homo
sapiens)
4 / 8PHE A 177
TYR A 172
TYR A 324
TYR A 330
None
1.33A24.04
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.
1XQL_A_4AXA605_1
(ALANINE RACEMASE)
5gve DNA TOPOISOMERASE
3-BETA-1
(Homo
sapiens)
4 / 8PHE A 152
TYR A 336
CYH A 118
ARG A 149
None
1.45A21.43
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.
1XQL_B_4AXB505_1
(ALANINE RACEMASE)
3hd6 AMMONIUM TRANSPORTER
RH TYPE C
(Homo
sapiens)
4 / 8ARG A 201
TYR A 435
TYR A  84
CYH A 429
None
1.20A22.03
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.
1XQL_B_4AXB505_1
(ALANINE RACEMASE)
4cgy DNA TOPOISOMERASE
3-ALPHA
(Homo
sapiens)
4 / 8ARG A 175
PHE A 178
TYR A 362
CYH A 149
None
1.41A21.03
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.
1XQL_B_4AXB505_1
(ALANINE RACEMASE)
4z0v 2',5'-PHOSPHODIESTER
ASE 12
(Homo
sapiens)
4 / 8TYR A 324
TYR A 330
PHE A 177
TYR A 172
None
1.29A24.04
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.
1XQL_B_4AXB505_1
(ALANINE RACEMASE)
5gve DNA TOPOISOMERASE
3-BETA-1
(Homo
sapiens)
4 / 8ARG A 149
PHE A 152
TYR A 336
CYH A 118
None
1.46A21.43