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.
4V1F_A_BQ1A1087_0
(F0F1 ATP SYNTHASE
SUBUNIT C)
1rw2 ATP-DEPENDENT DNA
HELICASE II, 80 KDA
SUBUNIT
(Homo
sapiens)
3 / 3GLU A  87
ALA A  88
PHE A  91
None
0.31A19.61
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.
4V1F_A_BQ1A1087_0
(F0F1 ATP SYNTHASE
SUBUNIT C)
4px9 ATP-DEPENDENT RNA
HELICASE DDX3X
(Homo
sapiens)
3 / 3GLU A 285
ALA A 286
PHE A 289
ADP  A 601 ( 4.4A)
None
None
0.63A15.07
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.
4V1F_A_BQ1A1087_0
(F0F1 ATP SYNTHASE
SUBUNIT C)
5a15 BTB/POZ
DOMAIN-CONTAINING
PROTEIN KCTD16
(Homo
sapiens)
3 / 3GLU A 109
ALA A 110
PHE A 113
None
0.33A22.88
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.
4V1F_A_BQ1A1087_0
(F0F1 ATP SYNTHASE
SUBUNIT C)
5bxd BTB/POZ
DOMAIN-CONTAINING
PROTEIN KCTD1
(Homo
sapiens)
3 / 3GLU A 111
ALA A 112
PHE A 115
None
0.33A21.43
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.
4V1F_A_BQ1A1087_0
(F0F1 ATP SYNTHASE
SUBUNIT C)
5bxh BTB/POZ
DOMAIN-CONTAINING
PROTEIN KCTD9
(Homo
sapiens)
3 / 3GLU A  86
ALA A  87
PHE A  90
None
0.27A22.73
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.
4V1F_A_BQ1A1087_0
(F0F1 ATP SYNTHASE
SUBUNIT C)
5dse TETRATRICOPEPTIDE
REPEAT PROTEIN 7B
(Homo
sapiens)
3 / 3GLU A 450
ALA A 451
PHE A 454
None
0.53A7.35
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.
4V1F_A_BQ1A1087_0
(F0F1 ATP SYNTHASE
SUBUNIT C)
5e7j ATP-DEPENDENT RNA
HELICASE DDX3X
(Homo
sapiens)
3 / 3GLU A 285
ALA A 286
PHE A 289
AMP  A 801 ( 4.5A)
None
None
0.63A9.96
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.
4V1F_A_BQ1A1087_0
(F0F1 ATP SYNTHASE
SUBUNIT C)
5gli ENDOTHELIN RECEPTOR
SUBTYPE-B
(Homo
sapiens)
3 / 3GLU A 236
ALA A 237
PHE A 240
None
0.26A12.63
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.
4V1F_A_BQ1A1087_0
(F0F1 ATP SYNTHASE
SUBUNIT C)
5u0i GLUTAMINASE KIDNEY
ISOFORM,
MITOCHONDRIAL
(Homo
sapiens)
3 / 3GLU A 626
ALA A 627
PHE A 630
None
0.51A20.71
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.
4V1F_B_BQ1B1087_0
(F0F1 ATP SYNTHASE
SUBUNIT C)
1dpt D-DOPACHROME
TAUTOMERASE
(Homo
sapiens)
5 / 8ALA A  26
ALA A  25
ALA A  78
PHE A  81
LEU A  84
None
1.22A25.23
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.
4V1F_B_BQ1B1087_0
(F0F1 ATP SYNTHASE
SUBUNIT C)
2hi4 CYTOCHROME P450 1A2
(Homo
sapiens)
5 / 8ALA A 464
ILE A 468
ALA A 370
PHE A 371
LEU A 472
HEM  A 900 (-3.6A)
None
None
None
None
1.31A11.52
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.
4V1F_B_BQ1B1087_0
(F0F1 ATP SYNTHASE
SUBUNIT C)
2k9u GAMMA FILAMIN
(Homo
sapiens)
5 / 8ALA A  23
ILE A  41
ALA A  18
PHE A  91
LEU A  51
None
1.36A23.28
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.
4V1F_B_BQ1B1087_0
(F0F1 ATP SYNTHASE
SUBUNIT C)
2m6b FULL-LENGTH
TRANSMEMBRANE
DOMAINS OF HUMAN
GLYCINE RECEPTOR
ALPHA1 SUBUNIT
(Homo
sapiens)
5 / 8ALA A 406
ILE A 409
ALA A 297
PHE A 295
LEU A 292
None
1.38A20.13
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.
4V1F_C_BQ1C1087_0
(F0F1 ATP SYNTHASE
SUBUNIT C)
1rw2 ATP-DEPENDENT DNA
HELICASE II, 80 KDA
SUBUNIT
(Homo
sapiens)
3 / 3GLU A  87
ALA A  88
PHE A  91
None
0.37A19.61
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.
4V1F_C_BQ1C1087_0
(F0F1 ATP SYNTHASE
SUBUNIT C)
4px9 ATP-DEPENDENT RNA
HELICASE DDX3X
(Homo
sapiens)
3 / 3GLU A 285
ALA A 286
PHE A 289
ADP  A 601 ( 4.4A)
None
None
0.63A15.07
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.
4V1F_C_BQ1C1087_0
(F0F1 ATP SYNTHASE
SUBUNIT C)
5a15 BTB/POZ
DOMAIN-CONTAINING
PROTEIN KCTD16
(Homo
sapiens)
3 / 3GLU A 109
ALA A 110
PHE A 113
None
0.37A22.88
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.
4V1F_C_BQ1C1087_0
(F0F1 ATP SYNTHASE
SUBUNIT C)
5bxd BTB/POZ
DOMAIN-CONTAINING
PROTEIN KCTD1
(Homo
sapiens)
3 / 3GLU A 111
ALA A 112
PHE A 115
None
0.38A21.43
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.
4V1F_C_BQ1C1087_0
(F0F1 ATP SYNTHASE
SUBUNIT C)
5bxh BTB/POZ
DOMAIN-CONTAINING
PROTEIN KCTD9
(Homo
sapiens)
3 / 3GLU A  86
ALA A  87
PHE A  90
None
0.29A22.73
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.
4V1F_C_BQ1C1087_0
(F0F1 ATP SYNTHASE
SUBUNIT C)
5dse TETRATRICOPEPTIDE
REPEAT PROTEIN 7B
(Homo
sapiens)
3 / 3GLU A 450
ALA A 451
PHE A 454
None
0.59A7.35
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.
4V1F_C_BQ1C1087_0
(F0F1 ATP SYNTHASE
SUBUNIT C)
5e7j ATP-DEPENDENT RNA
HELICASE DDX3X
(Homo
sapiens)
3 / 3GLU A 285
ALA A 286
PHE A 289
AMP  A 801 ( 4.5A)
None
None
0.64A9.96
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.
4V1F_C_BQ1C1087_0
(F0F1 ATP SYNTHASE
SUBUNIT C)
5eqi SOLUTE CARRIER
FAMILY 2,
FACILITATED GLUCOSE
TRANSPORTER MEMBER 1
(Homo
sapiens)
3 / 3GLU A 380
ALA A 377
PHE A 379
5RH  A 501 ( 3.6A)
None
5RH  A 501 ( 4.5A)
0.65A11.41
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.
4V1F_C_BQ1C1087_0
(F0F1 ATP SYNTHASE
SUBUNIT C)
5gli ENDOTHELIN RECEPTOR
SUBTYPE-B
(Homo
sapiens)
3 / 3GLU A 236
ALA A 237
PHE A 240
None
0.23A12.63
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.
4V1F_C_BQ1C1087_0
(F0F1 ATP SYNTHASE
SUBUNIT C)
5u0i GLUTAMINASE KIDNEY
ISOFORM,
MITOCHONDRIAL
(Homo
sapiens)
3 / 3GLU A 626
ALA A 627
PHE A 630
None
0.48A20.71