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.
2N27_A_4DYA205_1
(CALMODULIN)
2gwf UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 8
(Homo
sapiens)
5 / 11LEU A 297
ILE A 183
MET A 192
LEU A 239
VAL A 221
None
1.41A23.17
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.
2N27_A_4DYA205_1
(CALMODULIN)
2jak SERINE/THREONINE-PRO
TEIN PHOSPHATASE 2A
56 KDA REGULATORY
SUBUNIT GAMMA
ISOFORM
(Homo
sapiens)
5 / 11LEU A 145
ILE A 189
LEU A  52
VAL A 101
MET A  98
None
1.48A16.84
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.
2N27_A_4DYA205_1
(CALMODULIN)
2nzt HEXOKINASE-2
(Homo
sapiens)
5 / 11ILE A 745
MET A 491
MET A 495
VAL A 659
MET A 662
None
1.41A10.40
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.
2N27_A_4DYA205_1
(CALMODULIN)
3h5c PROTEIN Z-DEPENDENT
PROTEASE INHIBITOR
(Homo
sapiens)
5 / 11LEU A 107
ILE A 103
MET A 334
LEU A 199
VAL A 212
None
1.48A19.90
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.
2N27_A_4DYA205_1
(CALMODULIN)
3in5 DNA POLYMERASE KAPPA
(Homo
sapiens)
5 / 11LEU A 376
ILE A 357
LEU A  99
VAL A 342
MET A 343
None
1.33A14.66
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.
2N27_A_4DYA205_1
(CALMODULIN)
5vhi 26S PROTEASOME
NON-ATPASE
REGULATORY SUBUNIT 2
(Homo
sapiens)
5 / 11LEU f 692
ILE f 660
LEU f 487
MET f 524
VAL f 801
None
1.05A10.02
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.
2N27_A_4DYA205_1
(CALMODULIN)
5whz ANTI-HIV CODV-FAB
HEAVY CHAIN
ANTI-HIV CODV-FAB
LIGHT CHAIN
(Homo
sapiens)
5 / 11THR H  93
ILE L 112
LEU H  20
MET H  85
VAL H 127
None
1.42A21.20