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.
1JIN_A_KTNA801_1
(CYTOCHROME P450
107A1)
3pkj NAD-DEPENDENT
DEACETYLASE
SIRTUIN-6
(Homo
sapiens)
5 / 11ALA A  95
VAL A  32
LEU A  35
ALA A  36
LEU A  99
None
1.04A23.76
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.
1JIN_A_KTNA801_1
(CYTOCHROME P450
107A1)
4d4z DEOXYHYPUSINE
HYDROXYLASE
(Homo
sapiens)
5 / 11ALA A 276
VAL A 222
LEU A 225
ALA A 226
ALA A 230
None
1.06A23.10
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.
1JIN_A_KTNA801_1
(CYTOCHROME P450
107A1)
4j5q O-ACETYL-ADP-RIBOSE
DEACETYLASE 1
(Homo
sapiens)
5 / 11SER A  65
ALA A  69
THR A  83
ALA A  45
LEU A  58
None
1.05A13.79
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.
1JIN_A_KTNA801_1
(CYTOCHROME P450
107A1)
4pqo SORTING NEXIN-14
(Homo
sapiens)
6 / 11SER A 625
TYR A 663
LEU A 683
ALA A 680
THR A 628
LEU A 673
None
1.30A15.17
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.
1JIN_A_KTNA801_1
(CYTOCHROME P450
107A1)
4rh7 GREEN FLUORESCENT
PROTEIN/CYTOPLASMIC
DYNEIN 2 HEAVY CHAIN
1
(Homo
sapiens;
synthetic
construct)
5 / 11THR A4105
VAL A4111
LEU A4114
ALA A4115
LEU A4044
None
0.98A7.98
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.
1JIN_A_KTNA801_1
(CYTOCHROME P450
107A1)
5f9s SERINE--PYRUVATE
AMINOTRANSFERASE
(Homo
sapiens)
6 / 11PHE A 310
LEU A 384
ALA A 383
ALA A 379
THR A 323
LEU A 302
None
1.26A21.88
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.
1JIP_A_KTNA801_1
(CYTOCHROME P450
107A1)
1l8j ENDOTHELIAL PROTEIN
C RECEPTOR
(Homo
sapiens)
5 / 12ALA A 135
LEU A 151
VAL A 118
THR A 140
LEU A 148
None
1.18A18.95
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.
1JIP_A_KTNA801_1
(CYTOCHROME P450
107A1)
3p56 RIBONUCLEASE H2
SUBUNIT A
(Homo
sapiens)
5 / 12ALA A  48
GLY A  37
LEU A  16
ALA A 189
LEU A  93
None
1.42A22.30
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.
1JIP_A_KTNA801_1
(CYTOCHROME P450
107A1)
4keg MALTOSE-BINDING
PERIPLASMIC/PALATE
LUNG AND NASAL
EPITHELIUM CLONE
FUSION PROTEIN
(Escherichia
coli;
Homo
sapiens)
5 / 12ALA A1054
GLY A1046
THR A1045
LEU A1231
LEU A1234
None
0.85A24.10
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.
1JIP_A_KTNA801_1
(CYTOCHROME P450
107A1)
5nr4 CLIP-ASSOCIATING
PROTEIN 2
(Homo
sapiens)
5 / 12ALA A 191
THR A 155
LEU A 176
ALA A 134
LEU A 173
None
1.37A13.73
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.
1JIP_A_KTNA801_1
(CYTOCHROME P450
107A1)
5uak CYSTIC FIBROSIS
TRANSMEMBRANE
CONDUCTANCE
REGULATOR
(Homo
sapiens)
5 / 12PHE A 305
ALA A 309
GLY A 241
LEU A 230
LEU A 233
None
1.34A14.71