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.
5BTD_E_GFNE101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
GGTCATGAATGACTATGCAC
GTAA)		2i1y RECEPTOR-TYPE
TYROSINE-PROTEIN
PHOSPHATASE
(Homo
sapiens)		4 / 7ALA A 729
ASP A 911
ARG A 954
GLY A 951
None
0.93A21.97
24.55
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.
5BTD_E_GFNE101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
GGTCATGAATGACTATGCAC
GTAA)		3bdl STAPHYLOCOCCAL
NUCLEASE
DOMAIN-CONTAINING
PROTEIN 1
(Homo
sapiens)		4 / 7ALA A 713
ARG A 707
GLY A 708
GLU A 550
None
0.88A22.04
21.25
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.
5BTD_E_GFNE101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
GGTCATGAATGACTATGCAC
GTAA)		3nzu PHOSPHATIDYLINOSITOL
-4,5-BISPHOSPHATE
3-KINASE CATALYTIC
SUBUNIT GAMMA
ISOFORM
(Homo
sapiens)		4 / 7ASP A 653
ARG A 687
GLY A 685
GLU A 187
None
0.86A19.26
13.96
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.
5BTD_E_GFNE101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
GGTCATGAATGACTATGCAC
GTAA)		3qxm GLUTAMATE RECEPTOR
IONOTROPIC, KAINATE
2
(Homo
sapiens)		4 / 7ASP A 476
ARG A 472
GLY A 469
ARG A 450
None
0.87A22.01
25.25
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.
5BTD_E_GFNE101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
GGTCATGAATGACTATGCAC
GTAA)		4asi ACETYL-COA
CARBOXYLASE 1
(Homo
sapiens)		4 / 7ALA A2123
ASP A1970
ARG A1972
GLU A1999
None
0.99A21.83
16.39
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.
5BTD_E_GFNE101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
GGTCATGAATGACTATGCAC
GTAA)		4r3z ARGININE--TRNA
LIGASE, CYTOPLASMIC
(Homo
sapiens)		4 / 7ALA B 532
ASP B 475
GLY B 469
GLU B 468
None
0.91A23.55
18.45
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.
5BTD_E_GFNE101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
GGTCATGAATGACTATGCAC
GTAA)		4wfs TRNA-DIHYDROURIDINE(
20) SYNTHASE
[NAD(P)+]-LIKE
(Homo
sapiens)		4 / 7ALA A 181
ARG A  28
THR A  76
GLU A  80
None
0.93A21.24
23.14
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.
5BTD_E_GFNE101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
GGTCATGAATGACTATGCAC
GTAA)		5dis MALTOSE-BINDING
PERIPLASMIC
PROTEIN,NUCLEAR PORE
COMPLEX PROTEIN
NUP214
(Escherichia
coli;
Homo
sapiens)		4 / 7ALA D 213
ASP D  14
GLY D 228
GLU D 111
None
0.91A21.10
20.21
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.
5BTD_E_GFNE101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
GGTCATGAATGACTATGCAC
GTAA)		5m6u PHOSPHATIDYLINOSITOL
4,5-BISPHOSPHATE
3-KINASE CATALYTIC
SUBUNIT DELTA
ISOFORM
(Homo
sapiens)		4 / 7ALA A 885
ASP A 807
ARG A 809
GLU A 874
None
0.74A19.53
13.82
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.
5BTD_E_GFNE101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
GGTCATGAATGACTATGCAC
GTAA)		5v7i SERINE
HYDROXYMETHYLTRANSFE
RASE, MITOCHONDRIAL
(Homo
sapiens)		4 / 7ASP A 392
ARG A 395
GLY A 455
THR A 462
None
0.95A22.87
22.17
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.
5BTD_G_GFNG101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)		2i1y RECEPTOR-TYPE
TYROSINE-PROTEIN
PHOSPHATASE
(Homo
sapiens)		4 / 7ALA A 729
ASP A 911
ARG A 954
GLY A 951
None
0.90A21.97
24.55
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.
5BTD_G_GFNG101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)		3bdl STAPHYLOCOCCAL
NUCLEASE
DOMAIN-CONTAINING
PROTEIN 1
(Homo
sapiens)		4 / 7ALA A 713
ARG A 707
GLY A 708
GLU A 550
None
0.86A22.04
21.25
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.
5BTD_G_GFNG101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)		3ff6 ACETYL-COA
CARBOXYLASE 2
(Homo
sapiens)		4 / 7ALA A2197
ASP A2044
ARG A2046
GLU A2073
None
0.98A22.90
15.92
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.
5BTD_G_GFNG101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)		3na0 CHOLESTEROL
SIDE-CHAIN CLEAVAGE
ENZYME,
MITOCHONDRIAL
(Homo
sapiens)		4 / 7ALA A 173
ASP A 297
ARG A 299
GLY A 300
None
0.57A22.28
21.44
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.
5BTD_G_GFNG101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)		3nzu PHOSPHATIDYLINOSITOL
-4,5-BISPHOSPHATE
3-KINASE CATALYTIC
SUBUNIT GAMMA
ISOFORM
(Homo
sapiens)		4 / 7ASP A 653
ARG A 687
GLY A 685
GLU A 187
None
0.87A19.26
13.96
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.
5BTD_G_GFNG101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)		3qxm GLUTAMATE RECEPTOR
IONOTROPIC, KAINATE
2
(Homo
sapiens)		4 / 7ARG A 450
ASP A 476
ARG A 472
GLY A 469
None
0.81A22.01
25.25
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.
5BTD_G_GFNG101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)		3tg1 DUAL SPECIFICITY
PROTEIN PHOSPHATASE
10
(Homo
sapiens)		4 / 7ASP B 176
ARG B 178
GLY B 272
GLU B 238
None
0.94A14.53
18.85
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.
5BTD_G_GFNG101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)		4asi ACETYL-COA
CARBOXYLASE 1
(Homo
sapiens)		4 / 7ALA A2123
ASP A1970
ARG A1972
GLU A1999
None
0.96A21.83
16.39
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.
5BTD_G_GFNG101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)		4r3z ARGININE--TRNA
LIGASE, CYTOPLASMIC
(Homo
sapiens)		4 / 7ALA B 532
ASP B 475
GLY B 469
GLU B 468
None
0.91A23.55
18.45
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.
5BTD_G_GFNG101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)		4wfs TRNA-DIHYDROURIDINE(
20) SYNTHASE
[NAD(P)+]-LIKE
(Homo
sapiens)		4 / 7ALA A 181
ARG A  28
THR A  76
GLU A  80
None
0.96A21.24
23.14
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.
5BTD_G_GFNG101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)		5dis MALTOSE-BINDING
PERIPLASMIC
PROTEIN,NUCLEAR PORE
COMPLEX PROTEIN
NUP214
(Escherichia
coli;
Homo
sapiens)		4 / 7ALA D 213
ASP D  14
GLY D 228
GLU D 111
None
0.92A21.10
20.21
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.
5BTD_G_GFNG101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)		5m6u PHOSPHATIDYLINOSITOL
4,5-BISPHOSPHATE
3-KINASE CATALYTIC
SUBUNIT DELTA
ISOFORM
(Homo
sapiens)		4 / 7ALA A 885
ASP A 807
ARG A 809
GLU A 874
None
0.71A19.53
13.82
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.
5BTD_G_GFNG101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)		5v7i SERINE
HYDROXYMETHYLTRANSFE
RASE, MITOCHONDRIAL
(Homo
sapiens)		4 / 7ASP A 392
ARG A 395
GLY A 455
THR A 462
None
0.94A22.87
22.17
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.
5BTF_F_GFNF101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)		1ef7 CATHEPSIN X
(Homo
sapiens)		4 / 7SER A 183
ARG A 138
GLY A 137
GLU A 139
None
0.94A20.59
21.68
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.
5BTF_F_GFNF101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)		2gkw TNF
RECEPTOR-ASSOCIATED
FACTOR 3
(Homo
sapiens)		4 / 7SER A 454
ASP A 419
GLY A 462
GLU A 463
None
0.94A17.36
22.43
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.
5BTF_F_GFNF101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)		2gzh RAS-RELATED PROTEIN
RAB-11A
(Homo
sapiens)		4 / 7SER A 126
ASP A 137
GLU A 144
ARG A 132
None
0.98A17.21
24.42
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.
5BTF_F_GFNF101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)		2j6l ALDEHYDE
DEHYDROGENASE FAMILY
7 MEMBER A1
(Homo
sapiens)		4 / 7SER A 431
GLY A 471
THR A 246
GLU A 269
None
None
NAI  A1501 (-4.2A)
NAI  A1501 (-4.0A)
0.95A22.97
19.76
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.
5BTF_F_GFNF101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)		3nzu PHOSPHATIDYLINOSITOL
-4,5-BISPHOSPHATE
3-KINASE CATALYTIC
SUBUNIT GAMMA
ISOFORM
(Homo
sapiens)		4 / 7ASP A 653
ARG A 687
GLY A 685
GLU A 187
None
0.90A19.26
13.96
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.
5BTF_F_GFNF101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)		3qxm GLUTAMATE RECEPTOR
IONOTROPIC, KAINATE
2
(Homo
sapiens)		4 / 7ASP A 476
ARG A 472
GLY A 469
ARG A 450
None
0.85A22.01
25.25
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.
5BTF_F_GFNF101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)		3tg1 DUAL SPECIFICITY
PROTEIN PHOSPHATASE
10
(Homo
sapiens)		4 / 7ASP B 176
ARG B 178
GLY B 272
GLU B 238
None
0.96A12.96
18.85
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.
5BTF_F_GFNF101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)		4cak INTEGRIN ALPHA-IIB
INTEGRIN BETA-3
(Homo
sapiens)		4 / 7SER B 337
ASP A 319
ARG A 317
GLU A 315
None
0.96A20.68
17.44
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.
5BTF_F_GFNF101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)		4mxw LYMPHOTOXIN-BETA
(Homo
sapiens)		4 / 7SER Y 161
ASP Y 121
GLY Y  94
GLU Y 105
None
0.91A16.93
21.71
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.
5BTF_F_GFNF101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)		4px9 ATP-DEPENDENT RNA
HELICASE DDX3X
(Homo
sapiens)		4 / 7ASP A 329
ARG A 333
GLY A 334
ARG A 363
None
0.97A21.44
23.38
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.
5BTF_F_GFNF101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)		5e7j ATP-DEPENDENT RNA
HELICASE DDX3X
(Homo
sapiens)		4 / 7ASP A 329
ARG A 333
GLY A 334
ARG A 363
None
0.75A22.59
23.24
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.
5BTF_F_GFNF101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)		5hvf CARBOXYPEPTIDASE B2
(Homo
sapiens)		4 / 7ARG A 302
GLY A 336
GLU A 338
ARG A 235
None
None
None
FLC  A 509 (-2.8A)
0.92A20.35
19.55
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.
5BTF_F_GFNF101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)		5nst HEAVY CHAIN OF
ANTIBODY MGD21
(Homo
sapiens)		4 / 7ARG B 134
GLY B 135
THR B 161
GLU B 165
GOL  B 402 (-3.4A)
None
None
None
0.78A20.98
20.83
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.
5BTF_F_GFNF101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)		5v7i SERINE
HYDROXYMETHYLTRANSFE
RASE, MITOCHONDRIAL
(Homo
sapiens)		4 / 7ASP A 392
ARG A 395
GLY A 455
THR A 462
None
0.92A22.62
22.17
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.
5BTF_G_GFNG101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)		2gzh RAS-RELATED PROTEIN
RAB-11A
(Homo
sapiens)		4 / 7ARG A 132
SER A 126
ASP A 137
GLU A 144
None
0.97A17.21
24.42
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.
5BTF_G_GFNG101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)		2j6l ALDEHYDE
DEHYDROGENASE FAMILY
7 MEMBER A1
(Homo
sapiens)		4 / 7SER A 431
GLY A 471
THR A 246
GLU A 269
None
None
NAI  A1501 (-4.2A)
NAI  A1501 (-4.0A)
0.94A22.97
19.76
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.
5BTF_G_GFNG101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)		2r0l HEPATOCYTE GROWTH
FACTOR ACTIVATOR
(Homo
sapiens)		4 / 7SER A 195
ASP A 217
ARG A 221
GLY A 221
None
0.94A18.29
23.00
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.
5BTF_G_GFNG101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)		3bg9 PYRUVATE
CARBOXYLASE,
MITOCHONDRIAL
(Homo
sapiens)		4 / 7SER A 910
ARG A 675
THR A 568
GLU A 605
None
1.00A22.34
17.58
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.
5BTF_G_GFNG101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)		3qxm GLUTAMATE RECEPTOR
IONOTROPIC, KAINATE
2
(Homo
sapiens)		4 / 7ARG A 450
ASP A 476
ARG A 472
GLY A 469
None
0.80A22.01
25.25
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.
5BTF_G_GFNG101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)		3tg1 DUAL SPECIFICITY
PROTEIN PHOSPHATASE
10
(Homo
sapiens)		4 / 7ASP B 176
ARG B 178
GLY B 272
GLU B 238
None
0.92A12.96
18.85
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.
5BTF_G_GFNG101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)		3tht ALKYLATED DNA REPAIR
PROTEIN ALKB HOMOLOG
8
(Homo
sapiens)		4 / 7SER A 330
ASP A 300
ARG A 297
GLY A 232
AKG  A 403 (-3.4A)
None
None
None
0.83A20.70
22.96
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.
5BTF_G_GFNG101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)		4px9 ATP-DEPENDENT RNA
HELICASE DDX3X
(Homo
sapiens)		4 / 7ARG A 363
ASP A 329
ARG A 333
GLY A 334
None
0.96A21.44
23.38
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.
5BTF_G_GFNG101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)		4zel DOPAMINE
BETA-HYDROXYLASE
(Homo
sapiens)		4 / 7ARG A 194
GLY A 417
THR A 477
GLU A 486
None
1.12A22.04
17.54
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.
5BTF_G_GFNG101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)		5e6s INTEGRIN ALPHA-L
(Homo
sapiens)		4 / 7SER A  10
ARG A  18
GLY A  17
GLU A  38
None
1.07A22.07
15.85
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.
5BTF_G_GFNG101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)		5idn CYCLIN-DEPENDENT
KINASE 8
(Homo
sapiens)		4 / 7ASP A 344
ARG A 166
GLY A 163
GLU A 162
None
1.13A23.12
22.37
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.
5BTF_G_GFNG101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)		5oom 39S RIBOSOMAL
PROTEIN L28,
MITOCHONDRIAL
(Homo
sapiens)		4 / 7SER X 116
ASP X 173
ARG X 171
GLU X 198
None
1.06A19.68
22.34
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.
5BTF_G_GFNG101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)		5v7i SERINE
HYDROXYMETHYLTRANSFE
RASE, MITOCHONDRIAL
(Homo
sapiens)		4 / 7ASP A 392
ARG A 395
GLY A 455
THR A 462
None
0.90A22.62
22.17