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.
5QJQ_A_K1SA304_0
(ADP-SUGAR
PYROPHOSPHATASE)
3bvh FIBRINOGEN GAMMA
CHAIN
(Homo
sapiens)
4 / 5GLU C 183
TRP C 191
VAL C 193
LEU C 246
None
1.46A21.38
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.
5QJQ_A_K1SA304_0
(ADP-SUGAR
PYROPHOSPHATASE)
3fib FIBRINOGEN GAMMA
CHAIN RESIDUES
(Homo
sapiens)
4 / 5GLU A 183
TRP A 191
VAL A 193
LEU A 246
None
1.43A20.08
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.
5QJQ_A_K1SA304_0
(ADP-SUGAR
PYROPHOSPHATASE)
5yz0 SERINE/THREONINE-PRO
TEIN KINASE ATR
(Homo
sapiens)
4 / 5GLU A1776
TRP A1779
VAL A1802
LEU A1809
None
1.44Aundetectable
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.
5QJQ_B_K1SB304_0
(ADP-SUGAR
PYROPHOSPHATASE)
3bvh FIBRINOGEN GAMMA
CHAIN
(Homo
sapiens)
4 / 5TRP C 191
VAL C 193
LEU C 246
GLU C 183
None
1.46A21.38
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.
5QJQ_B_K1SB304_0
(ADP-SUGAR
PYROPHOSPHATASE)
3fib FIBRINOGEN GAMMA
CHAIN RESIDUES
(Homo
sapiens)
4 / 5TRP A 191
VAL A 193
LEU A 246
GLU A 183
None
1.42A20.08
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.
5QJQ_B_K1SB304_0
(ADP-SUGAR
PYROPHOSPHATASE)
5y30 LEUCINE-RICH
GLIOMA-INACTIVATED
PROTEIN 1
(Homo
sapiens)
4 / 5TRP A 187
VAL A 185
LEU A 170
TRP A 183
None
1.50Aundetectable
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.
5QJQ_B_K1SB304_0
(ADP-SUGAR
PYROPHOSPHATASE)
5y31 LEUCINE-RICH
GLIOMA-INACTIVATED
PROTEIN 1
(Homo
sapiens)
4 / 5TRP B 187
VAL B 185
LEU B 170
TRP B 183
None
1.49Aundetectable
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.
5QJQ_B_K1SB304_0
(ADP-SUGAR
PYROPHOSPHATASE)
5yz0 SERINE/THREONINE-PRO
TEIN KINASE ATR
(Homo
sapiens)
4 / 5TRP A1779
VAL A1775
LEU A1809
GLU A1776
None
1.49Aundetectable
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.
5QJQ_B_K1SB304_0
(ADP-SUGAR
PYROPHOSPHATASE)
5yz0 SERINE/THREONINE-PRO
TEIN KINASE ATR
(Homo
sapiens)
4 / 5TRP A1779
VAL A1802
LEU A1809
GLU A1776
None
1.43Aundetectable
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.
5QJQ_C_K1SC305_0
(ADP-SUGAR
PYROPHOSPHATASE)
3fib FIBRINOGEN GAMMA
CHAIN RESIDUES
(Homo
sapiens)
4 / 5GLU A 183
TRP A 191
VAL A 193
LEU A 246
None
1.46A20.08