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.
1N5X_A_TEIA3006_1
(XANTHINE
DEHYDROGENASE)
1lm5 SUBDOMAIN OF
DESMOPLAKIN
CARBOXY-TERMINAL
DOMAIN (DPCT)
(Homo
sapiens)
5 / 12LEU A2764
LEU A2736
THR A2657
ALA A2709
ALA A2694
None
1.12A10.25
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.
1N5X_A_TEIA3006_1
(XANTHINE
DEHYDROGENASE)
1nun FIBROBLAST GROWTH
FACTOR RECEPTOR 2
ISOFORM 2
(Homo
sapiens)
5 / 12LYS B 292
LEU B 327
THR B 268
VAL B 357
ALA B 266
None
1.18A10.61
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.
1N5X_A_TEIA3006_1
(XANTHINE
DEHYDROGENASE)
1q8k EUKARYOTIC
TRANSLATION
INITIATION FACTOR 2
SUBUNIT 1
(Homo
sapiens)
5 / 12LEU A 167
PHE A 152
VAL A 136
ALA A 155
ALA A 151
None
1.24A13.83
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.
1N5X_A_TEIA3006_1
(XANTHINE
DEHYDROGENASE)
2c0y PROCATHEPSIN S
(Homo
sapiens)
5 / 12LEU A  65
ASN A 283
LEU A  76
ALA A 124
ALA A 123
None
1.10A13.50
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.
1N5X_A_TEIA3006_1
(XANTHINE
DEHYDROGENASE)
2fbv WERNER SYNDROME
HELICASE
(Homo
sapiens)
5 / 12SER A  52
PHE A  49
VAL A  54
ALA A 217
ALA A 214
None
1.10A10.40
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.
1N5X_A_TEIA3006_1
(XANTHINE
DEHYDROGENASE)
2gr9 PYRROLINE-5-CARBOXYL
ATE REDUCTASE 1
(Homo
sapiens)
5 / 12LEU A 153
LEU A  15
PHE A   5
VAL A  65
ALA A  69
None
1.16A13.97
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.
1N5X_A_TEIA3006_1
(XANTHINE
DEHYDROGENASE)
4cmn INOSITOL
POLYPHOSPHATE
5-PHOSPHATASE OCRL-1
(Homo
sapiens)
5 / 12LEU A 325
GLU A 294
LEU A 316
THR A 343
VAL A 358
None
1.20A14.58
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.
1N5X_A_TEIA3006_1
(XANTHINE
DEHYDROGENASE)
4n2c PROTEIN-ARGININE
DEIMINASE TYPE-2
(Homo
sapiens)
5 / 12LEU A 555
LEU A 430
SER A 414
VAL A 417
ALA A 458
None
1.21A20.06
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.
1N5X_A_TEIA3006_1
(XANTHINE
DEHYDROGENASE)
4qn1 E3 UBIQUITIN-PROTEIN
LIGASE SHPRH
(Homo
sapiens)
5 / 12LEU A1121
LEU A1338
PHE A1250
ALA A1210
ALA A1246
None
1.09A15.99
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.
1N5X_A_TEIA3006_1
(XANTHINE
DEHYDROGENASE)
5wu6 SPECKLE TARGETED
PIP5K1A-REGULATED
POLY(A) POLYMERASE
(Homo
sapiens)
5 / 12LEU A 434
LEU A 413
VAL A 502
ALA A 570
ALA A 571
None
1.18A17.19
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.
1N5X_B_TEIB4006_1
(XANTHINE
DEHYDROGENASE)
1lm5 SUBDOMAIN OF
DESMOPLAKIN
CARBOXY-TERMINAL
DOMAIN (DPCT)
(Homo
sapiens)
5 / 12LEU A2764
LEU A2736
THR A2657
ALA A2709
ALA A2694
None
1.12A10.25
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.
1N5X_B_TEIB4006_1
(XANTHINE
DEHYDROGENASE)
1nun FIBROBLAST GROWTH
FACTOR RECEPTOR 2
ISOFORM 2
(Homo
sapiens)
5 / 12LYS B 292
LEU B 327
THR B 268
VAL B 357
ALA B 266
None
1.18A10.61
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.
1N5X_B_TEIB4006_1
(XANTHINE
DEHYDROGENASE)
1q8k EUKARYOTIC
TRANSLATION
INITIATION FACTOR 2
SUBUNIT 1
(Homo
sapiens)
5 / 12LEU A 167
PHE A 152
VAL A 136
ALA A 155
ALA A 151
None
1.23A13.83
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.
1N5X_B_TEIB4006_1
(XANTHINE
DEHYDROGENASE)
2c0y PROCATHEPSIN S
(Homo
sapiens)
5 / 12LEU A  65
ASN A 283
LEU A  76
ALA A 124
ALA A 123
None
1.09A13.50
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.
1N5X_B_TEIB4006_1
(XANTHINE
DEHYDROGENASE)
2fbv WERNER SYNDROME
HELICASE
(Homo
sapiens)
5 / 12SER A  52
PHE A  49
VAL A  54
ALA A 217
ALA A 214
None
1.10A10.40
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.
1N5X_B_TEIB4006_1
(XANTHINE
DEHYDROGENASE)
2gr9 PYRROLINE-5-CARBOXYL
ATE REDUCTASE 1
(Homo
sapiens)
5 / 12LEU A 153
LEU A  15
PHE A   5
VAL A  65
ALA A  69
None
1.16A13.97
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.
1N5X_B_TEIB4006_1
(XANTHINE
DEHYDROGENASE)
4cmn INOSITOL
POLYPHOSPHATE
5-PHOSPHATASE OCRL-1
(Homo
sapiens)
5 / 12LEU A 325
GLU A 294
LEU A 316
THR A 343
VAL A 358
None
1.20A14.58
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.
1N5X_B_TEIB4006_1
(XANTHINE
DEHYDROGENASE)
4n2c PROTEIN-ARGININE
DEIMINASE TYPE-2
(Homo
sapiens)
5 / 12LEU A 555
LEU A 430
SER A 414
VAL A 417
ALA A 458
None
1.21A20.06
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.
1N5X_B_TEIB4006_1
(XANTHINE
DEHYDROGENASE)
4qn1 E3 UBIQUITIN-PROTEIN
LIGASE SHPRH
(Homo
sapiens)
5 / 12LEU A1121
LEU A1338
PHE A1250
ALA A1210
ALA A1246
None
1.08A15.99
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.
1N5X_B_TEIB4006_1
(XANTHINE
DEHYDROGENASE)
5wu6 SPECKLE TARGETED
PIP5K1A-REGULATED
POLY(A) POLYMERASE
(Homo
sapiens)
5 / 12LEU A 434
LEU A 413
VAL A 502
ALA A 570
ALA A 571
None
1.18A17.19