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.
4G0U_B_ASWB1301_1
(DNA TOPOISOMERASE
2-BETA)		1fs2 SKP2
(Homo
sapiens)		4 / 7ILE A 361
PRO A 362
GLY A 381
GLN A 378
None
0.95A17.59
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.
4G0U_B_ASWB1301_1
(DNA TOPOISOMERASE
2-BETA)		1kcw CERULOPLASMIN
(Homo
sapiens)		4 / 7ILE A 879
PRO A 857
GLY A 967
ALA A 898
None
0.92A22.64
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.
4G0U_B_ASWB1301_1
(DNA TOPOISOMERASE
2-BETA)		1ujd KIAA0559 PROTEIN
(Homo
sapiens)		4 / 7ILE A  53
GLY A  31
ALA A  62
GLN A  96
None
0.92A10.75
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.
4G0U_B_ASWB1301_1
(DNA TOPOISOMERASE
2-BETA)		1wpq GLYCEROL-3-PHOSPHATE
DEHYDROGENASE
[NAD+], CYTOPLASMIC
(Homo
sapiens)		4 / 7ILE A 116
GLY A 121
GLU A 198
GLN A  96
None
0.95A18.54
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.
4G0U_B_ASWB1301_1
(DNA TOPOISOMERASE
2-BETA)		2dyl DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 7
(Homo
sapiens)		4 / 7ILE A 265
PRO A 262
GLY A 334
GLN A 227
None
0.86A17.65
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.
4G0U_B_ASWB1301_1
(DNA TOPOISOMERASE
2-BETA)		3edy TRIPEPTIDYL-PEPTIDAS
E 1
(Homo
sapiens)		5 / 7ILE A 337
GLY A 171
ALA A 335
GLU A  24
GLN A 306
EDO  A 702 ( 4.2A)
None
None
None
None
1.42A21.10
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.
4G0U_B_ASWB1301_1
(DNA TOPOISOMERASE
2-BETA)		3ikm DNA POLYMERASE
SUBUNIT GAMMA-1
(Homo
sapiens)		4 / 7PRO A 209
GLY A 252
ALA A 276
GLU A 280
None
0.90A21.34
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.
4G0U_B_ASWB1301_1
(DNA TOPOISOMERASE
2-BETA)		4a5w COMPLEMENT C5
(Homo
sapiens)		4 / 7ILE A1426
GLY A1431
ALA A1434
GLN A 840
None
0.96A19.46
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.
4G0U_B_ASWB1301_1
(DNA TOPOISOMERASE
2-BETA)		4akv SORTING NEXIN-33
(Homo
sapiens)		4 / 7ILE A 364
PRO A 365
GLY A 217
GLN A 536
None
0.97A18.66
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.
4G0U_B_ASWB1301_1
(DNA TOPOISOMERASE
2-BETA)		4akv SORTING NEXIN-33
(Homo
sapiens)		4 / 7ILE A 364
PRO A 365
GLY A 220
GLN A 536
None
0.94A18.66
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.
4G0U_B_ASWB1301_1
(DNA TOPOISOMERASE
2-BETA)		4bb9 GLUCOKINASE
REGULATORY PROTEIN
(Homo
sapiens)		4 / 7ILE A 219
ARG A 215
GLY A 181
ALA A 188
None
None
F1P  A 702 (-3.6A)
None
0.91A23.52
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.
4G0U_B_ASWB1301_1
(DNA TOPOISOMERASE
2-BETA)		4h27 L-SERINE
DEHYDRATASE/L-THREON
INE DEAMINASE
(Homo
sapiens)		5 / 7ILE A 133
PRO A 134
GLY A 171
ALA A  68
GLN A 178
None
SO4  A 403 (-4.7A)
LLP  A  41 ( 3.2A)
SO4  A 402 (-3.3A)
None
1.47A18.66
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.
4G0U_B_ASWB1301_1
(DNA TOPOISOMERASE
2-BETA)		4r7p UTP--GLUCOSE-1-PHOSP
HATE
URIDYLYLTRANSFERASE
(Homo
sapiens)		4 / 7ILE A 334
ALA A 338
GLU A 277
GLN A 297
None
0.98A22.28
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.
4G0U_B_ASWB1301_1
(DNA TOPOISOMERASE
2-BETA)		5vhi 26S PROTEASOME
NON-ATPASE
REGULATORY SUBUNIT 6
(Homo
sapiens)		4 / 7ARG Y 146
GLY Y 148
ALA Y 120
GLN Y  21
None
0.97A21.19
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.
4G0U_F_ASWF101_1
(DNA TOPOISOMERASE
2-BETA)		1w6j LANOSTEROL SYNTHASE
(Homo
sapiens)		4 / 6GLY A 372
ALA A  19
GLU A 126
GLN A 689
None
1.08A22.74
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.
4G0U_F_ASWF101_1
(DNA TOPOISOMERASE
2-BETA)		1wju NEDD8 ULTIMATE
BUSTER-1
(Homo
sapiens)		4 / 6ARG A  43
GLY A  42
GLU A  44
GLN A  68
None
1.13A8.98
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.
4G0U_F_ASWF101_1
(DNA TOPOISOMERASE
2-BETA)		2f5a PROTEIN (ANTIBODY
2F5 (HEAVY CHAIN))
PROTEIN (ANTIBODY
2F5 (LIGHT CHAIN))
(Homo
sapiens)		4 / 6PRO L  95
GLY L  99
ALA L   1
GLN H  41
None
1.05A15.62
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.
4G0U_F_ASWF101_1
(DNA TOPOISOMERASE
2-BETA)		3ajb PEROXISOMAL
BIOGENESIS FACTOR 3
(Homo
sapiens)		4 / 6ARG A  54
GLY A 138
ALA A 145
GLN A  62
None
1.07A16.67
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.
4G0U_F_ASWF101_1
(DNA TOPOISOMERASE
2-BETA)		3b3l KETOHEXOKINASE
(Homo
sapiens)		4 / 6PRO A  95
GLY A  61
ALA A  64
GLN A 146
None
1.07A16.88
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.
4G0U_F_ASWF101_1
(DNA TOPOISOMERASE
2-BETA)		3b96 VERY LONG-CHAIN
SPECIFIC ACYL-COA
DEHYDROGENASE
(Homo
sapiens)		4 / 6ARG A 573
GLY A 577
ALA A 499
GLN A 526
None
1.08A22.21
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.
4G0U_F_ASWF101_1
(DNA TOPOISOMERASE
2-BETA)		3ikm DNA POLYMERASE
SUBUNIT GAMMA-1
(Homo
sapiens)		4 / 6PRO A 209
GLY A 252
ALA A 276
GLU A 280
None
1.03A21.34
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.
4G0U_F_ASWF101_1
(DNA TOPOISOMERASE
2-BETA)		3k1r HARMONIN
USHER SYNDROME
TYPE-1G PROTEIN
(Homo
sapiens)		4 / 6PRO B 454
GLY A 104
ALA B 449
GLU A 107
None
1.10A8.08
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.
4G0U_F_ASWF101_1
(DNA TOPOISOMERASE
2-BETA)		4ayx ATP-BINDING CASSETTE
SUB-FAMILY B MEMBER
10
(Homo
sapiens)		4 / 6ARG A 617
GLY A 622
ALA A 600
GLN A 638
None
1.11A21.37
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.
4G0U_F_ASWF101_1
(DNA TOPOISOMERASE
2-BETA)		4piv FATTY ACID SYNTHASE
(Homo
sapiens)		4 / 6PRO A1264
GLY A2061
ALA A2112
GLN A2031
2W4  A2205 (-4.4A)
2W4  A2205 (-4.9A)
None
2W4  A2205 ( 4.1A)
1.12A21.81
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.
4G0U_F_ASWF101_1
(DNA TOPOISOMERASE
2-BETA)		5kjm N-LYSINE
METHYLTRANSFERASE
SMYD2
(Homo
sapiens)		4 / 6ARG A 390
GLY A 394
ALA A 404
GLN A 354
None
1.01A20.81
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.
4G0U_F_ASWF101_1
(DNA TOPOISOMERASE
2-BETA)		5u0u DH270.1 SINGLE-CHAIN
VARIABLE FRAGMENT
(Homo
sapiens)		4 / 6PRO G 112
GLY G 241
ALA G 233
GLN G  39
None
1.09A14.82
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.
4G0U_F_ASWF101_1
(DNA TOPOISOMERASE
2-BETA)		5vhi 26S PROTEASOME
NON-ATPASE
REGULATORY SUBUNIT 6
(Homo
sapiens)		4 / 6ARG Y 146
GLY Y 148
ALA Y 120
GLN Y  21
None
0.94A21.19