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.
1I1E_A_DM2A3001_1
(BOTULINUM NEUROTOXIN
TYPE B)		3e0l GUANINE DEAMINASE
(Homo
sapiens)		5 / 9GLU A 245
GLU A 241
GLY A 309
HIS A 277
TYR A 280
None
1.48A17.05
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.
2DR6_A_DM2A2002_1
(ACRB)		1p27 MAGO NASHI PROTEIN
HOMOLOG
RNA-BINDING PROTEIN
8A
(Homo
sapiens)		5 / 9SER B  69
SER A 135
PHE A  26
GLY A  30
PHE B  76
None
1.27A7.33
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.
2DR6_A_DM2A2002_1
(ACRB)		5ggg PROTEIN
O-LINKED-MANNOSE
BETA-1,2-N-ACETYLGLU
COSAMINYLTRANSFERASE
1
(Homo
sapiens)		5 / 9SER A 247
GLN A 138
PHE A 212
GLY A 222
ILE A 174
None
1.46A20.74
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.
4DX7_A_DM2A1105_1
(ACRIFLAVINE
RESISTANCE PROTEIN B)		2ffu POLYPEPTIDE
N-ACETYLGALACTOSAMIN
YLTRANSFERASE 2
(Homo
sapiens)		5 / 11PHE A 144
GLY A  88
ASP A 110
ARG A 101
ARG A 362
None
None
None
None
UDP  A 601 (-4.1A)
1.38A18.64
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.
4DX7_A_DM2A1105_1
(ACRIFLAVINE
RESISTANCE PROTEIN B)		3um1 BRO1
DOMAIN-CONTAINING
PROTEIN BROX
(Homo
sapiens)		5 / 11PHE A  47
THR A  93
GLY A  98
ARG A 128
GLN A  99
None
1.37A17.51
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.
4DX7_A_DM2A1105_1
(ACRIFLAVINE
RESISTANCE PROTEIN B)		3zcw KINESIN-LIKE PROTEIN
KIF11
(Homo
sapiens)		5 / 11MET A  70
THR A 114
GLY A 134
ARG A 329
GLN A  78
None
1.42A15.68
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.
4DX7_A_DM2A1105_1
(ACRIFLAVINE
RESISTANCE PROTEIN B)		4oav PROTEIN (RNASE L)
(Homo
sapiens)		5 / 11MET B 130
PHE B 126
GLY B 202
ARG B 154
GLU B 162
None
A  C   3 ( 3.6A)
None
None
None
1.48A20.90
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.
4DX7_A_DM2A1105_1
(ACRIFLAVINE
RESISTANCE PROTEIN B)		5xtb NADH DEHYDROGENASE
[UBIQUINONE]
FLAVOPROTEIN 2,
MITOCHONDRIAL
NADH-UBIQUINONE
OXIDOREDUCTASE 75
KDA SUBUNIT,
MITOCHONDRIAL
(Homo
sapiens)		5 / 11THR M 208
GLY M 196
ASP M 193
ARG M 408
MET O 110
None
1.29A20.92
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.
4DX7_A_DM2A1106_1
(ACRIFLAVINE
RESISTANCE PROTEIN B)		2crn UBASH3A PROTEIN
(Homo
sapiens)		5 / 11MET A  19
PHE A  21
LEU A  12
THR A  33
ALA A  32
None
1.30A5.23
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.
4DX7_A_DM2A1106_1
(ACRIFLAVINE
RESISTANCE PROTEIN B)		2q50 GLYOXYLATE
REDUCTASE/HYDROXYPYR
UVATE REDUCTASE
(Homo
sapiens)		5 / 11SER A 154
PHE A 175
LEU A 119
ALA A 215
ARG A 170
None
1.30A16.19
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.
4DX7_A_DM2A1106_1
(ACRIFLAVINE
RESISTANCE PROTEIN B)		5cj0 XRCC4-MYH7-(1631-169
2) CHIMERA PROTEIN
(Homo
sapiens)		5 / 11PHE A 111
PHE A  96
PHE A  97
LEU A  70
ALA A  78
None
1.38A12.29
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.
4DX7_A_DM2A1106_1
(ACRIFLAVINE
RESISTANCE PROTEIN B)		5izk SELENOCYSTEINE-SPECI
FIC ELONGATION
FACTOR
(Homo
sapiens)		5 / 11SER A 431
PHE A 351
PHE A 350
LEU A 329
GLN A 409
None
1.49A20.99
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.
4DX7_B_DM2B1104_1
(ACRIFLAVINE
RESISTANCE PROTEIN B)		1hlg LIPASE, GASTRIC
(Homo
sapiens)		4 / 8SER A  99
ILE A 173
VAL A 314
PHE A 176
None
0.99A15.19
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.
4DX7_B_DM2B1104_1
(ACRIFLAVINE
RESISTANCE PROTEIN B)		1ya0 SMG-7 TRANSCRIPT
VARIANT 2
(Homo
sapiens)		4 / 8GLU A 172
GLN A 292
ILE A 250
VAL A 246
None
0.97A17.67
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.
4DX7_B_DM2B1104_1
(ACRIFLAVINE
RESISTANCE PROTEIN B)		1z68 FIBROBLAST
ACTIVATION PROTEIN,
ALPHA SUBUNIT
(Homo
sapiens)		4 / 8SER A 546
GLN A 600
ILE A 516
VAL A 513
None
1.01A21.34
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.
4DX7_B_DM2B1104_1
(ACRIFLAVINE
RESISTANCE PROTEIN B)		2gk9 PHOSPHATIDYLINOSITOL
-4-PHOSPHATE
5-KINASE, TYPE II,
GAMMA
(Homo
sapiens)		4 / 8PHE A 207
ILE A 143
VAL A 150
PHE A 141
None
0.97A16.89
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.
4DX7_B_DM2B1104_1
(ACRIFLAVINE
RESISTANCE PROTEIN B)		2gk9 PHOSPHATIDYLINOSITOL
-4-PHOSPHATE
5-KINASE, TYPE II,
GAMMA
(Homo
sapiens)		4 / 8SER A  63
GLN A  64
ILE A  82
VAL A  84
None
1.01A16.89
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.
4DX7_B_DM2B1104_1
(ACRIFLAVINE
RESISTANCE PROTEIN B)		2pla GLYCEROL-3-PHOSPHATE
DEHYDROGENASE 1-LIKE
PROTEIN
(Homo
sapiens)		4 / 8GLU A 307
GLN A 300
ILE A  95
PHE A  99
None
None
None
NAD  A 401 (-3.3A)
0.88A16.02
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.
4DX7_B_DM2B1104_1
(ACRIFLAVINE
RESISTANCE PROTEIN B)		2pxj JMJC
DOMAIN-CONTAINING
HISTONE
DEMETHYLATION
PROTEIN 3A
(Homo
sapiens)		4 / 8GLN A  73
ILE A  67
VAL A  94
PHE A  97
None
1.00A13.95
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.
4DX7_B_DM2B1104_1
(ACRIFLAVINE
RESISTANCE PROTEIN B)		2xij METHYLMALONYL-COA
MUTASE,
MITOCHONDRIAL
(Homo
sapiens)		4 / 8GLN A 476
GLU A 484
ILE A 468
VAL A 227
B12  A 800 (-3.9A)
None
None
B12  A 800 (-4.5A)
0.95A22.67
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.
4DX7_B_DM2B1104_1
(ACRIFLAVINE
RESISTANCE PROTEIN B)		4bn5 NAD-DEPENDENT
PROTEIN DEACETYLASE
SIRTUIN-3,
MITOCHONDRIAL
(Homo
sapiens)		5 / 8GLU A 296
PHE A 251
ILE A 268
VAL A 272
PHE A 193
None
1.25A13.82
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.
4DX7_B_DM2B1104_1
(ACRIFLAVINE
RESISTANCE PROTEIN B)		4erv RYANODINE RECEPTOR 3
(Homo
sapiens)		4 / 8SER A2625
PHE A2788
ILE A2796
VAL A2686
None
0.97A11.50
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.
4DX7_B_DM2B1104_1
(ACRIFLAVINE
RESISTANCE PROTEIN B)		4grl MHC CLASS II
HLA-DQ-ALPHA CHAIN
(Homo
sapiens)		4 / 8GLN A  21
GLU A  25
ILE A 119
VAL A 165
None
1.02A10.18
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.
4DX7_B_DM2B1104_1
(ACRIFLAVINE
RESISTANCE PROTEIN B)		4miv N-SULPHOGLUCOSAMINE
SULPHOHYDROLASE
(Homo
sapiens)		4 / 8SER A 364
GLN A  83
ILE A 335
PHE A 101
None
0.86A19.11
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.
4DX7_B_DM2B1104_1
(ACRIFLAVINE
RESISTANCE PROTEIN B)		4on9 PROBABLE
ATP-DEPENDENT RNA
HELICASE DDX58
(Homo
sapiens)		4 / 8GLN A 306
PHE A 295
ILE A 343
VAL A 293
None
0.90A20.73
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.
4ZVM_A_DM2A303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		1rpm RECEPTOR PROTEIN
TYROSINE PHOSPHATASE
MU
(Homo
sapiens)		5 / 12GLY A1075
GLY A1072
THR A1071
PHE A1105
ILE A1108
None
1.26A21.85
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.
4ZVM_A_DM2A303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		2cb5 PROTEIN (BLEOMYCIN
HYDROLASE)
(Homo
sapiens)		5 / 12TRP A  74
THR A 170
MET A 177
ASN A 178
GLU A 167
None
1.14A18.48
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.
4ZVM_A_DM2A303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		3pta DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 1
(Homo
sapiens)		5 / 12GLY A1297
THR A1295
ASN A1353
ILE A1315
ILE A1588
None
1.10A13.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ZVM_A_DM2A303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		3te7 RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE]
(Homo
sapiens)		8 / 12TRP A 105
GLY A 149
GLY A 150
THR A 151
MET A 154
ASN A 161
GLU A 193
ILE A 194
FAD  A 232 ( 4.3A)
FAD  A 232 (-3.6A)
FAD  A 232 (-3.6A)
None
None
None
FAD  A 232 ( 3.1A)
None
0.38A100.00
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.
4ZVM_A_DM2A303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		3v98 ARACHIDONATE
5-LIPOXYGENASE
(Homo
sapiens)		5 / 12GLY A 430
GLY A 431
THR A 427
ILE A 415
PHE A 151
None
1.07A15.87
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.
4ZVM_A_DM2A303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		4epu ANGIOPOIETIN-1
(Homo
sapiens)		5 / 12GLY A 446
GLY A 445
THR A 444
GLN A 328
PHE A 348
None
1.14A19.68
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.
4ZVM_A_DM2A303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		4ks8 SERINE/THREONINE-PRO
TEIN KINASE PAK 6
(Homo
sapiens)		5 / 12GLY A 588
MET A 638
GLU A 593
ILE A 592
ILE A 503
None
1.24A21.12
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.
4ZVM_A_DM2A303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		4p0j INTERLEUKIN-36
RECEPTOR
ANTAGONIST/INTERLEUK
IN-36 GAMMA CHIMERA
PROTEIN
(Homo
sapiens)		5 / 12GLY A  63
GLY A  64
ASN A  84
GLU A  41
ILE A  42
None
0.94A21.66
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.
4ZVM_A_DM2A303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		4tlg SEC14-LIKE PROTEIN 4
(Homo
sapiens)		5 / 12GLY A 242
GLY A 243
THR A 244
ILE A 232
PHE A 100
None
0.86A19.40
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.
4ZVM_A_DM2A303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		4wxx DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 1
(Homo
sapiens)		5 / 12GLY A1297
THR A1295
ASN A1353
ILE A1315
ILE A1588
None
1.05A11.01
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.
4ZVM_A_DM2A303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		5la7 HEPARANASE
(Homo
sapiens)		5 / 12GLY A  95
GLY A  96
THR A  97
ASN A  64
GLU A 221
None
6S6  A 613 (-3.2A)
6S6  A 613 (-4.1A)
None
None
1.17A18.09
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.
4ZVM_A_DM2A303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		5nks DIHYDROPYRIMIDINASE-
RELATED PROTEIN 4
(Homo
sapiens)		5 / 12GLY A  99
GLY A 100
THR A 101
GLU A 359
ILE A 358
GLY  A  99 ( 0.0A)
GLY  A 100 ( 0.0A)
THR  A 101 ( 0.8A)
GLU  A 359 ( 0.6A)
ILE  A 358 ( 0.7A)
1.24A18.43
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.
4ZVM_B_DM2B303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		1vyh PLATELET-ACTIVATING
FACTOR
ACETYLHYDROLASE IB
BETA SUBUNIT
(Homo
sapiens)		5 / 11VAL A  50
PHE A 192
GLY A 201
GLY A 200
ILE A  58
None
1.49A23.60
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.
4ZVM_B_DM2B303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		1w6j LANOSTEROL SYNTHASE
(Homo
sapiens)		5 / 11PHE A 391
PHE A 711
TRP A 590
GLY A 582
ILE A 702
None
1.36A17.08
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.
4ZVM_B_DM2B303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		2vre DELTA(3,5)-DELTA(2,4
)-DIENOYL-COA
ISOMERASE
(Homo
sapiens)		5 / 11PHE A 166
GLY A 147
GLY A 149
GLU A 171
ILE A  92
None
1.43A21.24
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.
4ZVM_B_DM2B303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		3be8 NEUROLIGIN-4,
X-LINKED
(Homo
sapiens)		5 / 11VAL A 170
PHE A 497
GLY A 256
GLY A 254
ILE A 278
None
None
None
PO4  A 623 (-3.3A)
None
1.44A18.01
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.
4ZVM_B_DM2B303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		3d4j DIPHOSPHOMEVALONATE
DECARBOXYLASE
(Homo
sapiens)		5 / 11VAL A 319
PHE A 249
PHE A 252
TRP A 192
ILE A 199
None
1.39A18.78
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.
4ZVM_B_DM2B303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		3ld8 BIFUNCTIONAL
ARGININE DEMETHYLASE
AND
LYSYL-HYDROXYLASE
JMJD6
(Homo
sapiens)		5 / 11VAL A  71
PHE A 156
PHE A 288
GLY A 269
ASN A 293
None
1.29A24.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ZVM_B_DM2B303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		3te7 RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE]
(Homo
sapiens)		7 / 11TRP A 105
GLY A 149
GLY A 150
MET A 154
ASN A 161
GLU A 193
ILE A 194
FAD  A 232 ( 4.3A)
FAD  A 232 (-3.6A)
FAD  A 232 (-3.6A)
None
None
FAD  A 232 ( 3.1A)
None
0.43A100.00
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.
4ZVM_B_DM2B303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		3v2y SPHINGOSINE
1-PHOSPHATE RECEPTOR
1, LYSOZYME CHIMERA
(E.C.3.2.1.17)
(Escherichia
virus
T4;
Homo
sapiens)		5 / 11VAL A 209
GLY A 175
GLY A 176
MET A 180
ILE A 173
None
1.48A17.27
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.
4ZVM_B_DM2B303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		3v4p INTEGRIN ALPHA-4
(Homo
sapiens)		5 / 11GLN A 230
GLY A 225
ASN A 341
GLU A 234
ILE A 250
None
1.37A17.23
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.
4ZVM_B_DM2B303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		4p0j INTERLEUKIN-36
RECEPTOR
ANTAGONIST/INTERLEUK
IN-36 GAMMA CHIMERA
PROTEIN
(Homo
sapiens)		5 / 11GLY A  63
GLY A  64
ASN A  84
GLU A  41
ILE A  42
None
1.05A21.66
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.
4ZVM_B_DM2B303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		4po2 HEAT SHOCK 70 KDA
PROTEIN 1A/1B
(Homo
sapiens)		5 / 11VAL A 442
PHE A 428
GLY A 408
GLY A 407
ASN A 540
None
1.22A20.31
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.
4ZVM_B_DM2B303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		4u7t DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 3A
(Homo
sapiens)		5 / 11PHE A 521
PHE A 608
GLY A 511
GLY A 512
ILE A 493
None
1.22A18.87
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.
4ZVM_B_DM2B303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		5lxd DUAL SPECIFICITY
TYROSINE-PHOSPHORYLA
TION-REGULATED
KINASE 2
(Homo
sapiens)		5 / 11VAL A 306
GLY A 297
ASN A 280
GLU A 192
ILE A 196
None
None
7A7  A 501 ( 4.8A)
None
None
1.47A18.47
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.
4ZVM_B_DM2B303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6cm4 D(2) DOPAMINE
RECEPTOR, ENDOLYSIN
CHIMERA
(Escherichia
virus
T4;
Homo
sapiens)		5 / 11VAL A 196
PHE A 390
PHE A 389
TRP A 386
ILE A 183
None
8NU  A2001 ( 4.8A)
8NU  A2001 ( 4.5A)
8NU  A2001 ( 3.8A)
None
1.29A20.00
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.
5MRA_B_DM2B204_1
(SORCIN)		1pl8 HUMAN SORBITOL
DEHYDROGENASE
(Homo
sapiens)		4 / 6TYR A  50
PHE A  59
THR A 121
GLY A  54
None
1.27A17.03
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.
5MRA_B_DM2B204_1
(SORCIN)		1zot CALMODULIN
(Homo
sapiens)		4 / 6TYR B 138
ARG B  90
ASP B  93
GLY B  98
None
None
CA  B 801 (-3.0A)
None
1.17A16.77
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.
5MRA_B_DM2B204_1
(SORCIN)		2b3x IRON-RESPONSIVE
ELEMENT BINDING
PROTEIN 1
(Homo
sapiens)		4 / 6THR A 677
ARG A 780
ASP A 781
GLY A 222
None
1.18A11.29
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.
5MRA_B_DM2B204_1
(SORCIN)		2d7q FILAMIN-C
(Homo
sapiens)		4 / 6TYR A  83
THR A  36
ASP A  10
GLY A   9
None
1.05A20.11
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.
5MRA_B_DM2B204_1
(SORCIN)		2q9g CYTOCHROME P450 46A1
(Homo
sapiens)		4 / 6TYR A 109
THR A 370
ARG A 372
ASP A 105
None
HEM  A 505 (-2.9A)
HEM  A 505 ( 4.0A)
None
1.21A16.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5MRA_B_DM2B204_1
(SORCIN)		3aak PROGRAMMED CELL
DEATH PROTEIN 6
(Homo
sapiens)		4 / 6THR A 162
ARG A 166
ASP A 169
GLY A 174
None
0.59A36.93
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.
5MRA_B_DM2B204_1
(SORCIN)		3naf CALCIUM-ACTIVATED
POTASSIUM CHANNEL
SUBUNIT
ALPHA-1,CALCIUM-ACTI
VATED POTASSIUM
CHANNEL SUBUNIT
ALPHA-1,CALCIUM-ACTI
VATED POTASSIUM
CHANNEL SUBUNIT
ALPHA-1
(Homo
sapiens)		4 / 6TYR A 528
PHE A 909
ARG A 514
GLY A 531
None
1.16A12.27
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.
5MRA_B_DM2B204_1
(SORCIN)		3pyc E3 UBIQUITIN-PROTEIN
LIGASE SMURF1
(Homo
sapiens)		4 / 6THR A  77
ARG A  99
ASP A  74
GLY A  44
None
1.15A22.54
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.
5MRA_B_DM2B204_1
(SORCIN)		3zyj NETRIN-G1
(Homo
sapiens)		4 / 6TYR B 178
THR B 151
ASP B 271
GLY B 179
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.
5MRA_B_DM2B204_1
(SORCIN)		4a6e HYDROXYINDOLE
O-METHYLTRANSFERASE
(Homo
sapiens)		4 / 6THR A 217
ARG A 153
ASP A 210
GLY A 189
None
None
SAM  A1349 (-2.9A)
SAM  A1349 ( 3.8A)
1.25A19.49
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.
5MRA_B_DM2B204_1
(SORCIN)		4iqy O-ACETYL-ADP-RIBOSE
DEACETYLASE MACROD2
(Homo
sapiens)		4 / 6THR A  80
ARG A  32
ASP A 135
GLY A 110
AR6  A 301 ( 4.8A)
None
None
None
0.84A20.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5MRA_B_DM2B204_1
(SORCIN)		4u8d SORCIN
(Homo
sapiens)		4 / 6THR A 170
ARG A 174
ASP A 177
GLY A 182
None
0.58A84.34
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.
5MRA_B_DM2B204_1
(SORCIN)		5cni METABOTROPIC
GLUTAMATE RECEPTOR 2
(Homo
sapiens)		4 / 6TYR A 216
THR A 168
ASP A 215
GLY A 214
GGL  A 601 (-4.0A)
GGL  A 601 (-3.0A)
None
None
1.22A14.69
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.
5MRA_B_DM2B204_1
(SORCIN)		5d39 SIGNAL TRANSDUCER
AND ACTIVATOR OF
TRANSCRIPTION 6
(Homo
sapiens)		4 / 6THR A 267
ARG A 266
ASP A 262
GLY A 259
None
0.89A16.14
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.
5MRA_B_DM2B204_1
(SORCIN)		5nn8 LYSOSOMAL
ALPHA-GLUCOSIDASE
(Homo
sapiens)		4 / 6TYR A 766
PHE A 731
THR A 737
GLY A 765
None
None
None
EDO  A1023 ( 4.5A)
1.05A10.93
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.
5MRA_B_DM2B204_1
(SORCIN)		5of4 TFIIH BASAL
TRANSCRIPTION FACTOR
COMPLEX HELICASE XPD
SUBUNIT
(Homo
sapiens)		4 / 6TYR B 674
PHE B 728
ARG B 487
GLY B 675
None
0.98A12.24
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.
5MRA_B_DM2B204_1
(SORCIN)		5ve9 MICROTUBULE-ACTIN
CROSS-LINKING FACTOR
1, ISOFORMS 1/2/3/5
(Homo
sapiens)		4 / 6TYR A7099
ARG A7051
ASP A7054
GLY A7059
None
None
CA  A7201 (-3.6A)
None
0.98A19.21
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.
5MRA_B_DM2B204_1
(SORCIN)		6ej2 BETA-SECRETASE 1
(Homo
sapiens)		4 / 6THR A 738
ARG A 644
ASP A 637
GLY A 443
None
None
B7E  A 901 (-2.6A)
B7E  A 901 ( 3.8A)
1.19A20.96
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.
6FTP_B_DM2B501_1
(ALPHA-1-ANTICHYMOTRY
PSIN)		1lb4 TNF
RECEPTOR-ASSOCIATED
FACTOR 6
(Homo
sapiens)		5 / 9GLN A 367
LEU A 393
SER A 408
LEU A 479
VAL A 373
None
1.48A16.55
12.82
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.
6FTP_B_DM2B501_1
(ALPHA-1-ANTICHYMOTRY
PSIN)		2uur COLLAGEN ALPHA-1(IX)
CHAIN
(Homo
sapiens)		5 / 9LEU A 152
SER A 150
PHE A 153
LEU A 101
ASN A 104
None
1.49A17.24
10.29
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.
6FTP_B_DM2B501_1
(ALPHA-1-ANTICHYMOTRY
PSIN)		3dcy REGULATOR PROTEIN
(Homo
sapiens)		5 / 9LEU A 205
SER A 204
PHE A 206
LEU A 226
VAL A   8
None
1.08A15.13
10.00
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.
6FTP_B_DM2B501_1
(ALPHA-1-ANTICHYMOTRY
PSIN)		3un9 NLR FAMILY MEMBER X1
(Homo
sapiens)		5 / 9GLN A 969
LEU A 914
SER A 915
LEU A 921
ASN A 702
None
1.50A11.56
6.56
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.
6FTP_B_DM2B501_1
(ALPHA-1-ANTICHYMOTRY
PSIN)		4i6j F-BOX/LRR-REPEAT
PROTEIN 3
(Homo
sapiens)		5 / 9LEU B 397
SER B 372
PHE B 376
LEU B 351
VAL B 412
None
1.29A10.70
7.49
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.
6FTP_B_DM2B501_1
(ALPHA-1-ANTICHYMOTRY
PSIN)		4jb9 ANTIBODY VRC06 HEAVY
CHAIN
(Homo
sapiens)		5 / 9LEU H  82
SER H  17
PHE H  82
GLU H  81
LEU H  80
None
1.50A18.45
11.76
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.
6FTP_B_DM2B501_1
(ALPHA-1-ANTICHYMOTRY
PSIN)		4k2p T-LYMPHOMA INVASION
AND
METASTASIS-INDUCING
PROTEIN 1
(Homo
sapiens)		5 / 9LEU A 563
PHE A 621
LEU A 570
VAL A 550
ASN A 499
None
1.26A14.86
9.80
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.
6FTP_B_DM2B501_1
(ALPHA-1-ANTICHYMOTRY
PSIN)		4pyz UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 7
(Homo
sapiens)		5 / 9LEU A 609
SER A 608
PHE A 605
LEU A 602
VAL A 567
None
1.41A18.32
11.45
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.
6FTP_B_DM2B501_1
(ALPHA-1-ANTICHYMOTRY
PSIN)		5j7t UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 7
(Homo
sapiens)		5 / 9LEU A 609
SER A 608
PHE A 605
LEU A 602
VAL A 567
None
1.18A9.67
4.93
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.
6FTP_B_DM2B501_1
(ALPHA-1-ANTICHYMOTRY
PSIN)		6ez8 FACTOR VIII INTRON
22 PROTEIN
(Homo
sapiens)		5 / 9GLN B 323
LEU B 314
PHE B 319
GLU B 316
LEU B 320
None
1.41A19.05
18.18