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.
3S3M_A_DLUA398_1
(PFV INTEGRASE)		1k27 5'-DEOXY-5'-METHYLTH
IOADENOSINE
PHOSPHORYLASE
(Homo
sapiens)		4 / 8ASP A 111
GLY A 167
PRO A 143
GLU A 142
None
1.01A21.45
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.
3S3M_A_DLUA398_1
(PFV INTEGRASE)		1tx4 P50-RHOGAP
(Homo
sapiens)		4 / 8PRO A  61
GLN A  53
GLU A  60
ARG A 172
None
0.91A21.21
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.
3S3M_A_DLUA398_1
(PFV INTEGRASE)		1z8l GLUTAMATE
CARBOXYPEPTIDASE II
(Homo
sapiens)		4 / 8ASP A 230
GLY A 321
TYR A 179
GLN A 254
None
0.98A22.06
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.
3S3M_A_DLUA398_1
(PFV INTEGRASE)		2nzi TITIN
(Homo
sapiens)		4 / 8ASP A 169
GLY A 116
PRO A 162
GLN A 149
None
0.94A24.94
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.
3S3M_A_DLUA398_1
(PFV INTEGRASE)		2pbh PROCATHEPSIN B
(Homo
sapiens)		4 / 8GLY A 205
TYR A 214
GLN A 237
GLU A 157
None
0.92A20.98
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.
3S3M_A_DLUA398_1
(PFV INTEGRASE)		2vkw NEURAL CELL ADHESION
MOLECULE 1,140 KDA
ISOFORM
(Homo
sapiens)		4 / 8ASP A 625
GLY A 565
TYR A 572
PRO A 510
None
0.98A19.60
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.
3S3M_A_DLUA398_1
(PFV INTEGRASE)		2z5x AMINE OXIDASE
[FLAVIN-CONTAINING]
A
(Homo
sapiens)		4 / 8GLY A  25
PRO A 274
GLU A 436
ARG A  45
None
FAD  A 600 ( 4.9A)
None
FAD  A 600 ( 3.8A)
0.88A19.34
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.
3S3M_A_DLUA398_1
(PFV INTEGRASE)		3f2k HISTONE-LYSINE
N-METHYLTRANSFERASE
SETMAR
(Homo
sapiens)		4 / 8ASP A  38
ASP A 130
TYR A 157
PRO A 159
 MG  A 227 (-2.6A)
MG  A 227 (-2.5A)
None
None
0.67A20.30
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.
3S3M_A_DLUA398_1
(PFV INTEGRASE)		3zyx AMINE OXIDASE
[FLAVIN-CONTAINING]
B
(Homo
sapiens)		4 / 8GLY A  16
PRO A 265
GLU A 427
ARG A  36
None
FAD  A 600 ( 4.7A)
None
FAD  A 600 (-3.8A)
0.99A20.41
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.
3S3M_A_DLUA398_1
(PFV INTEGRASE)		4wsq AP2-ASSOCIATED
PROTEIN KINASE 1
(Homo
sapiens)		4 / 8ASP A 176
ASP A 194
GLY A 196
GLN A 133
 ZN  A 403 (-3.2A)
ZN  A 403 ( 2.6A)
None
KSA  A 405 (-3.2A)
1.01A20.05
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.
3S3M_A_DLUA398_1
(PFV INTEGRASE)		5e84 78 KDA
GLUCOSE-REGULATED
PROTEIN
(Homo
sapiens)		4 / 8ASP A 224
GLY A 364
TYR A  39
GLU A 201
 ZN  A 806 (-2.7A)
ATP  A 801 (-3.1A)
ATP  A 801 (-4.8A)
ZN  A 806 ( 2.6A)
0.88A22.71
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.
3S3M_A_DLUA398_1
(PFV INTEGRASE)		5yz0 SERINE/THREONINE-PRO
TEIN KINASE ATR
(Homo
sapiens)		5 / 8ASP A2475
GLY A2478
TYR A2643
GLU A2509
ARG A2407
None
1.47A14.69
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.
3S3N_A_DLUA398_1
(PFV INTEGRASE)		1kfu M-CALPAIN LARGE
SUBUNIT
(Homo
sapiens)		4 / 8GLY L 363
GLN L 145
GLU L 148
ARG L 416
None
1.04A18.52
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.
3S3N_A_DLUA398_1
(PFV INTEGRASE)		1z8l GLUTAMATE
CARBOXYPEPTIDASE II
(Homo
sapiens)		4 / 8ASP A 230
GLY A 321
TYR A 179
GLN A 254
None
0.99A22.06
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.
3S3N_A_DLUA398_1
(PFV INTEGRASE)		2nzi TITIN
(Homo
sapiens)		4 / 8ASP A 169
GLY A 116
PRO A 162
GLN A 149
None
1.02A24.94
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.
3S3N_A_DLUA398_1
(PFV INTEGRASE)		2pbh PROCATHEPSIN B
(Homo
sapiens)		4 / 8GLY A 205
TYR A 214
GLN A 237
GLU A 157
None
0.96A20.98
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.
3S3N_A_DLUA398_1
(PFV INTEGRASE)		2rhp THROMBOSPONDIN-2
(Homo
sapiens)		4 / 8ASP A 930
ASP A 922
GLY A 927
ARG A 609
 CA  A   3 (-3.1A)
CA  A   3 (-3.5A)
None
None
0.92A18.48
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.
3S3N_A_DLUA398_1
(PFV INTEGRASE)		2vkw NEURAL CELL ADHESION
MOLECULE 1,140 KDA
ISOFORM
(Homo
sapiens)		4 / 8ASP A 625
GLY A 565
TYR A 572
PRO A 510
None
1.00A19.60
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.
3S3N_A_DLUA398_1
(PFV INTEGRASE)		3f2k HISTONE-LYSINE
N-METHYLTRANSFERASE
SETMAR
(Homo
sapiens)		4 / 8ASP A  38
ASP A 130
TYR A 157
PRO A 159
 MG  A 227 (-2.6A)
MG  A 227 (-2.5A)
None
None
0.71A19.31
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.
3S3N_A_DLUA398_1
(PFV INTEGRASE)		4bla MALTOSE-BINDING
PERIPLASMIC PROTEIN,
SUPPRESSOR OF FUSED
HOMOLOG
(Escherichia
coli;
Homo
sapiens)		4 / 8ASP A 437
GLY A 533
TYR A 342
PRO A 372
None
0.88A20.33
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.
3S3N_A_DLUA398_1
(PFV INTEGRASE)		4wsq AP2-ASSOCIATED
PROTEIN KINASE 1
(Homo
sapiens)		4 / 8ASP A 176
ASP A 194
GLY A 196
GLN A 133
 ZN  A 403 (-3.2A)
ZN  A 403 ( 2.6A)
None
KSA  A 405 (-3.2A)
1.00A20.05
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.
3S3N_A_DLUA398_1
(PFV INTEGRASE)		5cni METABOTROPIC
GLUTAMATE RECEPTOR 2
(Homo
sapiens)		4 / 8ASP A 188
ASP A 295
GLY A 296
ARG A  61
None
GGL  A 601 (-3.0A)
GGL  A 601 ( 4.3A)
GGL  A 601 (-2.9A)
0.98A22.13
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.
3S3N_A_DLUA398_1
(PFV INTEGRASE)		5e84 78 KDA
GLUCOSE-REGULATED
PROTEIN
(Homo
sapiens)		4 / 8ASP A 224
GLY A 364
TYR A  39
GLU A 201
 ZN  A 806 (-2.7A)
ATP  A 801 (-3.1A)
ATP  A 801 (-4.8A)
ZN  A 806 ( 2.6A)
0.90A22.71
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.
3S3N_A_DLUA398_1
(PFV INTEGRASE)		6azp MYELOPEROXIDASE
(Homo
sapiens)		4 / 8GLY A 666
TYR A 459
PRO A 464
ARG A 673
None
0.91A13.08
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.
3S3O_A_DLUA399_1
(PFV INTEGRASE)		1ek6 UDP-GALACTOSE
4-EPIMERASE
(Homo
sapiens)		4 / 7PRO A 210
GLN A 214
GLU A 199
ARG A 300
None
None
None
UPG  A 401 (-2.8A)
1.28A22.84
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.
3S3O_A_DLUA399_1
(PFV INTEGRASE)		1spj KALLIKREIN 1
(Homo
sapiens)		4 / 7ASP A 113
PRO A 111
GLN A  50
GLU A 110
None
1.11A20.90
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.
3S3O_A_DLUA399_1
(PFV INTEGRASE)		1tx4 P50-RHOGAP
(Homo
sapiens)		4 / 7PRO A  61
GLN A  53
GLU A  60
ARG A 172
None
1.11A21.21
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.
3S3O_A_DLUA399_1
(PFV INTEGRASE)		1ux6 THROMBOSPONDIN-1
(Homo
sapiens)		4 / 7ASP A 839
ASP A 830
TYR A1011
ARG A1129
 CA  A2011 ( 2.1A)
CA  A2012 ( 2.9A)
None
None
1.27A21.40
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.
3S3O_A_DLUA399_1
(PFV INTEGRASE)		2d8k SYNAPTOTAGMIN VII
(Homo
sapiens)		4 / 7ASP A 103
ASP A 109
PRO A 110
GLN A  98
None
1.20A18.90
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.
3S3O_A_DLUA399_1
(PFV INTEGRASE)		3f2k HISTONE-LYSINE
N-METHYLTRANSFERASE
SETMAR
(Homo
sapiens)		4 / 7ASP A  38
ASP A 130
TYR A 157
PRO A 159
 MG  A 227 (-2.6A)
MG  A 227 (-2.5A)
None
None
0.64A20.30
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.
3S3O_A_DLUA399_1
(PFV INTEGRASE)		3fby CARTILAGE OLIGOMERIC
MATRIX PROTEIN
(Homo
sapiens)		4 / 7ASP A 271
ASP A 290
PRO A 276
ARG A 285
 CA  A 801 ( 2.8A)
CA  A 802 ( 2.3A)
None
None
1.22A20.36
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.
3S3O_A_DLUA399_1
(PFV INTEGRASE)		3top MALTASE-GLUCOAMYLASE
, INTESTINAL
(Homo
sapiens)		4 / 7ASP A 960
TYR A 997
GLN A1198
GLU A 961
None
1.27A18.38
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.
3S3O_A_DLUA399_1
(PFV INTEGRASE)		4ad9 BETA-LACTAMASE-LIKE
PROTEIN 2
(Homo
sapiens)		4 / 7ASP A 147
ASP A 148
TYR A 121
PRO A 105
None
1.12A20.96
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.
3S3O_A_DLUA399_1
(PFV INTEGRASE)		4ip8 SERUM AMYLOID A-1
PROTEIN
(Homo
sapiens)		4 / 7ASP A  23
TYR A  35
GLU A  26
ARG A  96
None
1.06A12.09
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.
3S3O_A_DLUA399_1
(PFV INTEGRASE)		5iry DESMOCOLLIN-1
(Homo
sapiens)		4 / 7ASP A 103
ASP A  67
TYR A  71
GLU A  11
 CA  A 614 ( 2.9A)
CA  A 605 (-2.2A)
None
CA  A 614 ( 3.1A)
1.23A22.76
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.
3S3O_A_DLUA399_1
(PFV INTEGRASE)		5j3p TYROSYL-DNA
PHOSPHODIESTERASE 2
(Homo
sapiens)		4 / 7ASP A 350
ASP A 122
TYR A 178
ARG A 206
 MG  A 401 ( 4.3A)
MG  A 401 (-3.2A)
None
None
1.27A18.16
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.
3S3O_A_DLUA399_1
(PFV INTEGRASE)		5n5n TUBULIN BETA CHAIN
(Homo
sapiens)		4 / 7ASP B  69
PRO B  72
GLN B  96
GLU B  71
 MG  B 502 ( 4.0A)
None
None
None
1.16A21.65
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.
3S3O_A_DLUA399_1
(PFV INTEGRASE)		5oyl LOW-DENSITY
LIPOPROTEIN RECEPTOR
(Homo
sapiens)		4 / 7ASP D  69
ASP D  73
GLN D  81
GLU D  80
 CA  D 102 (-2.8A)
CA  D 102 (-3.1A)
None
CA  D 102 (-3.3A)
1.21A6.84
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.
3S3O_A_DLUA399_1
(PFV INTEGRASE)		5yz0 SERINE/THREONINE-PRO
TEIN KINASE ATR
(Homo
sapiens)		4 / 7ASP A2372
ASP A2331
PRO A2369
ARG A2337
None
1.21A14.69
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.
3S3O_A_DLUA399_1
(PFV INTEGRASE)		5yz0 SERINE/THREONINE-PRO
TEIN KINASE ATR
(Homo
sapiens)		4 / 7ASP A2475
TYR A2643
GLU A2509
ARG A2407
None
1.13A14.69