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.
3LB3_A_4CHA191_0
(DEHALOPEROXIDASE A)		1xa6 BETA2-CHIMAERIN
(Homo
sapiens)		4 / 6PHE A 466
TYR A 398
HIS A 387
VAL A 386
None
1.30A13.82
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.
3LB3_A_4CHA191_0
(DEHALOPEROXIDASE A)		1xqs HEAT SHOCK 70 KDA
PROTEIN 1
(Homo
sapiens)		4 / 6PHE C 198
PHE C 205
THR C 341
VAL C 346
None
1.31A20.42
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.
3LB3_A_4CHA191_0
(DEHALOPEROXIDASE A)		1ygu LEUKOCYTE COMMON
ANTIGEN
(Homo
sapiens)		4 / 6PHE A 816
HIS A 788
THR A 787
VAL A 722
None
0.88A13.22
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.
3LB3_A_4CHA191_0
(DEHALOPEROXIDASE A)		2ewy BETA-SECRETASE 2
(Homo
sapiens)		4 / 6PHE A  68
TYR A  76
THR A 117
VAL A  56
None
1.09A15.94
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.
3LB3_A_4CHA191_0
(DEHALOPEROXIDASE A)		2xwb COMPLEMENT C3B
ALPHA' CHAIN
(Homo
sapiens)		4 / 6PHE B1251
TYR B1059
THR B 997
VAL B1000
None
1.18A10.95
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.
3LB3_A_4CHA191_0
(DEHALOPEROXIDASE A)		3fe1 HEAT SHOCK 70 KDA
PROTEIN 6
(Homo
sapiens)		4 / 6PHE A 200
PHE A 207
THR A 343
VAL A 348
None
1.31A16.87
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.
3LB3_A_4CHA191_0
(DEHALOPEROXIDASE A)		3w9y DISKS LARGE HOMOLOG
1
(Homo
sapiens)		4 / 6PHE A 800
HIS A 783
THR A 768
VAL A 785
None
1.19A20.10
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.
3LB3_A_4CHA191_0
(DEHALOPEROXIDASE A)		4qn9 N-ACYL-PHOSPHATIDYLE
THANOLAMINE-HYDROLYZ
ING PHOSPHOLIPASE D
(Homo
sapiens)		4 / 6PHE A 246
PHE A 144
HIS A 241
VAL A 244
None
1.14A17.14
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.
3LB3_A_4CHA191_0
(DEHALOPEROXIDASE A)		5bug PHOSPHATIDYLINOSITOL
3,4,5-TRISPHOSPHATE
3-PHOSPHATASE AND
DUAL-SPECIFICITY
PROTEIN PHOSPHATASE
PTEN
(Homo
sapiens)		4 / 6PHE A 347
PHE A 195
THR A 277
VAL A 275
None
1.28A17.76
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.
3LB3_A_4CHA191_0
(DEHALOPEROXIDASE A)		5nn8 LYSOSOMAL
ALPHA-GLUCOSIDASE
(Homo
sapiens)		4 / 6PHE A 240
PHE A 129
TYR A 133
THR A 158
None
1.23A9.60
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.
3LB3_A_4CHA191_0
(DEHALOPEROXIDASE A)		5v1m U6 SNRNA
PHOSPHODIESTERASE
(Homo
sapiens)		4 / 6PHE A 137
HIS A  84
THR A  83
VAL A 127
None
GOL  A 303 (-3.4A)
None
None
0.80A22.22
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.
3LB3_A_4CHA191_0
(DEHALOPEROXIDASE A)		6c01 ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 3
(Homo
sapiens)		4 / 6PHE A 512
PHE A 496
HIS A 193
VAL A 509
None
1.28Aundetectable
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.
3LB3_B_4CHB192_0
(DEHALOPEROXIDASE A)		1qlz PRION PROTEIN
(Homo
sapiens)		4 / 6TYR A 162
HIS A 187
THR A 190
VAL A 189
None
1.33A18.39
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.
3LB3_B_4CHB192_0
(DEHALOPEROXIDASE A)		1xa6 BETA2-CHIMAERIN
(Homo
sapiens)		4 / 6PHE A 466
TYR A 398
HIS A 387
VAL A 386
None
1.17A13.82
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.
3LB3_B_4CHB192_0
(DEHALOPEROXIDASE A)		1ygu LEUKOCYTE COMMON
ANTIGEN
(Homo
sapiens)		4 / 6PHE A 816
HIS A 788
THR A 787
VAL A 722
None
0.78A13.22
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.
3LB3_B_4CHB192_0
(DEHALOPEROXIDASE A)		2ewy BETA-SECRETASE 2
(Homo
sapiens)		4 / 6PHE A  68
TYR A  76
THR A 117
VAL A  56
None
1.19A15.94
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.
3LB3_B_4CHB192_0
(DEHALOPEROXIDASE A)		3f7q INTEGRIN BETA-4
(Homo
sapiens)		4 / 6PHE A1228
TYR A1296
THR A1236
VAL A1230
None
1.32A19.41
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.
3LB3_B_4CHB192_0
(DEHALOPEROXIDASE A)		3fe1 HEAT SHOCK 70 KDA
PROTEIN 6
(Homo
sapiens)		4 / 6PHE A 200
PHE A 207
THR A 343
VAL A 348
None
1.33A16.87
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.
3LB3_B_4CHB192_0
(DEHALOPEROXIDASE A)		3w9y DISKS LARGE HOMOLOG
1
(Homo
sapiens)		4 / 6PHE A 800
HIS A 783
THR A 768
VAL A 785
None
1.26A20.10
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.
3LB3_B_4CHB192_0
(DEHALOPEROXIDASE A)		4qn9 N-ACYL-PHOSPHATIDYLE
THANOLAMINE-HYDROLYZ
ING PHOSPHOLIPASE D
(Homo
sapiens)		4 / 6PHE A 246
PHE A 144
HIS A 241
VAL A 244
None
1.29A17.14
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.
3LB3_B_4CHB192_0
(DEHALOPEROXIDASE A)		4wsi MAGUK P55 SUBFAMILY
MEMBER 5
(Homo
sapiens)		4 / 6PHE A 536
PHE A 545
THR A 515
VAL A 531
None
1.33A16.75
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.
3LB3_B_4CHB192_0
(DEHALOPEROXIDASE A)		5d1x D4-30 HEAVY CHAIN
IRON-REGULATED
SURFACE DETERMINANT
PROTEIN B
(Homo
sapiens;
Staphylococcus
aureus)		4 / 6PHE B  54
PHE E 366
TYR E 391
HIS B  32
None
1.22A16.93
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.
3LB3_B_4CHB192_0
(DEHALOPEROXIDASE A)		5nn8 LYSOSOMAL
ALPHA-GLUCOSIDASE
(Homo
sapiens)		4 / 6PHE A 240
PHE A 129
TYR A 133
THR A 158
None
1.18A9.60
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.
3LB3_B_4CHB192_0
(DEHALOPEROXIDASE A)		5v1m U6 SNRNA
PHOSPHODIESTERASE
(Homo
sapiens)		4 / 6PHE A 137
HIS A  84
THR A  83
VAL A 127
None
GOL  A 303 (-3.4A)
None
None
0.72A22.22
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.
4AWU_A_4CHA502_0
(OXIDOREDUCTASE,
FMN-BINDING)		1t77 LIPOPOLYSACCHARIDE-R
ESPONSIVE AND
BEIGE-LIKE ANCHOR
PROTEIN
(Homo
sapiens)		4 / 7TRP A2347
ASN A2252
TYR A2253
LEU A2258
None
1.28A22.00
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.
4AWU_A_4CHA502_0
(OXIDOREDUCTASE,
FMN-BINDING)		2z7x TOLL-LIKE RECEPTOR
1, VARIABLE
LYMPHOCYTE RECEPTOR
B
(Eptatretus
burgeri;
Homo
sapiens)		4 / 7THR B 332
ASN B 382
LEU B 360
PHE B 331
None
1.34A20.22
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.
4AWU_A_4CHA502_0
(OXIDOREDUCTASE,
FMN-BINDING)		4gl2 INTERFERON-INDUCED
HELICASE C
DOMAIN-CONTAINING
PROTEIN 1
(Homo
sapiens)		4 / 7THR A 488
HIS A 447
ASN A 364
TYR A 454
None
1.26A20.99
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.
4AWU_A_4CHA502_0
(OXIDOREDUCTASE,
FMN-BINDING)		4kmz FOLATE RECEPTOR BETA
(Homo
sapiens)		4 / 7THR A 145
TRP A 154
ASN A  79
PHE A 172
None
1.28A18.03
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.
4AWU_A_4CHA502_0
(OXIDOREDUCTASE,
FMN-BINDING)		4wov NON-RECEPTOR
TYROSINE-PROTEIN
KINASE TYK2
(Homo
sapiens)		4 / 7THR A 658
HIS A 732
ASN A 739
PHE A 655
None
None
SO4  A 903 (-3.9A)
None
1.40A20.74
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.
4AWU_A_4CHA502_0
(OXIDOREDUCTASE,
FMN-BINDING)		5dse TETRATRICOPEPTIDE
REPEAT PROTEIN 7B
(Homo
sapiens)		4 / 7ASN A 582
TYR A 579
LEU A 585
PHE A 519
None
1.13A19.90
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.
4AWU_A_4CHA502_0
(OXIDOREDUCTASE,
FMN-BINDING)		5kc7 CEREBELLIN-1
(Homo
sapiens)		4 / 7THR A 103
ASN A 134
LEU A 133
PHE A 185
None
1.38A19.28
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.
4AWU_A_4CHA502_0
(OXIDOREDUCTASE,
FMN-BINDING)		5kca CEREBELLIN-1,CEREBEL
LIN-1,CEREBELLIN-1,G
LUTAMATE RECEPTOR
IONOTROPIC, DELTA-2
(Homo
sapiens)		4 / 7THR A 103
ASN A 134
LEU A 133
PHE A 185
None
1.38A17.55
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.
4AWU_A_4CHA502_0
(OXIDOREDUCTASE,
FMN-BINDING)		5kca CEREBELLIN-1,CEREBEL
LIN-1,CEREBELLIN-1,G
LUTAMATE RECEPTOR
IONOTROPIC, DELTA-2
(Homo
sapiens)		4 / 7THR A 245
ASN A 276
LEU A 275
PHE A 327
None
1.37A17.55
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.
4AWU_A_4CHA502_0
(OXIDOREDUCTASE,
FMN-BINDING)		5lfn CHONDROADHERIN
(Homo
sapiens)		4 / 7TRP A 302
ASN A 278
LEU A 256
PHE A 287
None
1.17A22.76
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.
4AWU_A_4CHA502_0
(OXIDOREDUCTASE,
FMN-BINDING)		5vad BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE
(Homo
sapiens)		4 / 7THR A1121
TYR A1127
LEU A1244
PHE A1097
PRO  A1602 (-3.5A)
None
None
None
1.29A20.89
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.
4AWU_A_4CHA502_0
(OXIDOREDUCTASE,
FMN-BINDING)		6g79 5-HYDROXYTRYPTAMINE
RECEPTOR 1B
(Homo
sapiens)		4 / 7THR S 355
TYR S 109
LEU S 126
PHE S 330
None
None
None
EP5  S 401 (-4.0A)
1.35Aundetectable
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.
4AWU_A_4CHA503_0
(OXIDOREDUCTASE,
FMN-BINDING)		1wou THIOREDOXIN -RELATED
PROTEIN, 14 KDA
(Homo
sapiens)		4 / 6TYR A   4
PHE A  28
PHE A 120
PHE A  66
None
1.47A16.16
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.
4AWU_A_4CHA503_0
(OXIDOREDUCTASE,
FMN-BINDING)		2v24 SPRY
DOMAIN-CONTAINING
SOCS BOX PROTEIN 4
(Homo
sapiens)		4 / 6SER A 147
TYR A 161
PHE A 164
PHE A 171
None
1.33A21.77
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.
4AWU_A_4CHA503_0
(OXIDOREDUCTASE,
FMN-BINDING)		4gwn MEPRIN A SUBUNIT
BETA
(Homo
sapiens)		4 / 6SER A 456
TYR A 459
PHE A 461
PHE A 477
None
1.43A19.46
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.
4AWU_A_4CHA503_0
(OXIDOREDUCTASE,
FMN-BINDING)		4ui9 CELL DIVISION CYCLE
PROTEIN 23 HOMOLOG
(Homo
sapiens)		4 / 6SER C  51
TYR C 173
PHE C 170
PHE C 116
None
1.32A20.31
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.
4DF2_A_4CHA506_0
(NADPH DEHYDROGENASE)		2hau SEROTRANSFERRIN
(Homo
sapiens)		4 / 6THR A 457
TYR A 655
HIS A 585
TYR A 426
CIT  A9202 (-3.9A)
None
CIT  A9202 (-4.0A)
CIT  A9202 (-4.5A)
1.31A20.94
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.
4DF2_A_4CHA506_0
(NADPH DEHYDROGENASE)		3ouh EGL NINE HOMOLOG 1
(Homo
sapiens)		4 / 6TYR A 303
HIS A 313
HIS A 374
TYR A 329
None
FE2  A 600 ( 3.2A)
FE2  A 600 ( 3.2A)
014  A 417 (-4.7A)
1.38A20.65
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.
4DF2_A_4CHA506_0
(NADPH DEHYDROGENASE)		3oui EGL NINE HOMOLOG 1
(Homo
sapiens)		4 / 6TYR A 303
HIS A 313
HIS A 374
TYR A 329
None
FE2  A   1 ( 3.3A)
FE2  A   1 ( 3.2A)
42Z  A 393 (-4.5A)
1.40A20.16
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.
4DF2_A_4CHA506_0
(NADPH DEHYDROGENASE)		3p8c NCK-ASSOCIATED
PROTEIN 1
(Homo
sapiens)		4 / 6TYR B1116
HIS B1025
HIS B1030
TYR B1018
None
1.38A17.65
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.
4DF2_A_4CHA506_0
(NADPH DEHYDROGENASE)		4obs ALPHA-L-IDURONIDASE
(Homo
sapiens)		4 / 6THR A 601
HIS A 539
TYR A 625
TYR A 581
None
1.31A21.01
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.
4DF2_A_4CHA506_0
(NADPH DEHYDROGENASE)		4xey TYROSINE-PROTEIN
KINASE ABL1
(Homo
sapiens)		4 / 6THR B 291
TYR B 276
HIS B 233
TYR B 331
None
1.16A24.89
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.
4DF2_A_4CHA506_0
(NADPH DEHYDROGENASE)		5mtj TYROSINE-PROTEIN
KINASE YES
MONOBODY MB(YES_1)
(Mus
musculus;
Homo
sapiens)		4 / 6HIS A 210
HIS A 214
TYR A 211
TYR B  73
None
1.36A13.27
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.
4DF2_A_4CHA506_0
(NADPH DEHYDROGENASE)		5thh TYROSINE--TRNA
LIGASE, CYTOPLASMIC
(Homo
sapiens)		4 / 6THR A  45
TYR A  97
HIS A  49
TYR A  52
None
1.19A22.97