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.
5CFT_A_51GA204_1
(AMINOGLYCOSIDE
NUCLEOTIDYLTRANSFERA
SE (2')-IA)
5mwa BIFUNCTIONAL EPOXIDE
HYDROLASE 2
(Homo
sapiens)
5 / 9ASP A 185
ASP A   9
LEU A 190
ASP A 184
ILE A 151
MG  A 301 (-2.5A)
MG  A 301 (-2.4A)
None
MG  A 301 ( 4.3A)
None
1.39A21.14
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.
5IQC_B_51GB600_1
(BIFUNCTIONAL AAC/APH)
3ol2 PLEXIN-B1
SEMAPHORIN-4D
(Homo
sapiens)
5 / 10SER B 199
ASP B 139
TYR B 200
GLU B 201
GLU A 200
None
1.10A17.65
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.
5IQC_B_51GB600_1
(BIFUNCTIONAL AAC/APH)
4o3s DNA POLYMERASE ETA
(Homo
sapiens)
5 / 10SER A 257
GLU A 306
GLU A 110
TYR A 118
GLU A 116
None
None
None
None
MG  A 503 (-3.0A)
1.46A21.82
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.
5IQG_A_51GA600_1
(BIFUNCTIONAL AAC/APH)
4o3s DNA POLYMERASE ETA
(Homo
sapiens)
5 / 10SER A 257
GLU A 306
GLU A 110
TYR A 118
GLU A 116
None
None
None
None
MG  A 503 (-3.0A)
1.40A21.82
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.
5IQG_B_51GB600_1
(BIFUNCTIONAL AAC/APH)
4o3s DNA POLYMERASE ETA
(Homo
sapiens)
5 / 10SER A 257
GLU A 306
GLU A 110
TYR A 118
GLU A 116
None
None
None
None
MG  A 503 (-3.0A)
1.48A21.82
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.
5IQG_D_51GD600_1
(BIFUNCTIONAL AAC/APH)
4o3s DNA POLYMERASE ETA
(Homo
sapiens)
5 / 10SER A 257
GLU A 306
GLU A 110
TYR A 118
GLU A 116
None
None
None
None
MG  A 503 (-3.0A)
1.46A21.82