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.
1Q0Y_H_MOIH401_1
(FAB 9B1, HEAVY CHAIN
FAB 9B1, LIGHT CHAIN)
1g0y INTERLEUKIN-1
RECEPTOR, TYPE I
(Homo
sapiens)
4 / 7GLU R  11
GLU R 217
ILE R 308
LEU R  88
None
0.92A19.94
21.64
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.
1Q0Y_H_MOIH401_1
(FAB 9B1, HEAVY CHAIN
FAB 9B1, LIGHT CHAIN)
2a9j BISPHOSPHOGLYCERATE
MUTASE
(Homo
sapiens)
4 / 7GLU A 135
ILE A  96
LEU A  60
TRP A  16
None
1.39A22.10
18.79
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.
1Q0Y_H_MOIH401_1
(FAB 9B1, HEAVY CHAIN
FAB 9B1, LIGHT CHAIN)
4bvx METHIONINE--TRNA
LIGASE, CYTOPLASMIC
(Homo
sapiens)
4 / 7TRP A  84
ILE A 124
LEU A  80
TRP A 172
None
1.47A20.44
21.37
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.
1Q0Y_H_MOIH401_1
(FAB 9B1, HEAVY CHAIN
FAB 9B1, LIGHT CHAIN)
4lt6 POLY(A) POLYMERASE
GAMMA
(Homo
sapiens)
4 / 7TRP A 229
GLU A 339
ILE A 235
LEU A 360
None
1.41A19.38
20.39
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.
1Q0Y_H_MOIH401_1
(FAB 9B1, HEAVY CHAIN
FAB 9B1, LIGHT CHAIN)
5l08 CASPASE-8
(Homo
sapiens)
4 / 7GLU A  89
GLU A  64
ILE A  98
LEU A  75
None
1.47A20.43
17.67
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.
1Q0Y_H_MOIH401_1
(FAB 9B1, HEAVY CHAIN
FAB 9B1, LIGHT CHAIN)
5ool 39S RIBOSOMAL
PROTEIN L45,
MITOCHONDRIAL
(Homo
sapiens)
4 / 7TRP d 183
GLU d 244
ILE d 146
LEU d 222
None
1.42A18.44
19.68