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.
4MJQ_A_27RA401_1
(DNA POLYMERASE III
SUBUNIT BETA)
1fq3 GRANZYME B
(Homo
sapiens)
4 / 5ARG A  27
TYR A  29
PRO A 198
VAL A 213
None
1.49A19.57
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.
4MJQ_A_27RA401_1
(DNA POLYMERASE III
SUBUNIT BETA)
1n26 IL-6 RECEPTOR ALPHA
CHAIN
(Homo
sapiens)
4 / 5TYR A 148
THR A 125
PRO A 121
VAL A  93
None
1.48A22.47
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.
4MJQ_A_27RA401_1
(DNA POLYMERASE III
SUBUNIT BETA)
1s9i DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 2
(Homo
sapiens)
4 / 5ARG A 231
TYR A 233
PRO A 197
VAL A 158
None
1.45A21.60
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.
4MJQ_A_27RA401_1
(DNA POLYMERASE III
SUBUNIT BETA)
4bkw ZINC FINGER FYVE
DOMAIN-CONTAINING
PROTEIN 9
(Homo
sapiens)
4 / 5TYR A1085
THR A1039
PRO A1086
VAL A1036
None
1.31A21.75
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.
4MJQ_A_27RA401_1
(DNA POLYMERASE III
SUBUNIT BETA)
4jmo CYTOHESIN-2
(Homo
sapiens)
4 / 5ARG A 239
TYR A 235
PRO A 208
VAL A 204
None
1.48A22.65
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.
4MJQ_A_27RA401_1
(DNA POLYMERASE III
SUBUNIT BETA)
5whz ANTI-HIV CODV-FAB
HEAVY CHAIN
ANTI-HIV CODV-FAB
LIGHT CHAIN
(Homo
sapiens)
4 / 5TYR H  95
THR H  93
PRO H  41
VAL L  89
None
0.96A24.66