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.
3JQ7_A_DX2A271_1
(PTERIDINE REDUCTASE
1)		1tw6 BACULOVIRAL IAP
REPEAT-CONTAINING
PROTEIN 7
(Homo
sapiens)		5 / 10PHE A  94
VAL A 103
LEU A  99
PRO A  98
TRP A 134
None
1.32A25.09
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.
3JQ7_B_DX2B271_1
(PTERIDINE REDUCTASE
1)		2ybx PHOSPHATIDYLINOSITOL
-5-PHOSPHATE
4-KINASE TYPE-2
ALPHA
(Homo
sapiens)		4 / 8SER A 205
ASP A 282
LEU A 233
PRO A 231
None
1.24A22.17
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.
3JQ7_B_DX2B271_1
(PTERIDINE REDUCTASE
1)		3eh2 PROTEIN TRANSPORT
PROTEIN SEC24C
(Homo
sapiens)		4 / 8SER A 717
ASP A 612
LEU A  78
PRO A  79
None
1.19A17.32
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.
3JQ7_B_DX2B271_1
(PTERIDINE REDUCTASE
1)		3i3n KELCH-LIKE PROTEIN
11
(Homo
sapiens)		4 / 8SER A 144
TYR A 215
LEU A 244
PRO A 245
None
1.20A20.27
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.
3JQ7_B_DX2B271_1
(PTERIDINE REDUCTASE
1)		3v4o MUCOSA-ASSOCIATED
LYMPHOID TISSUE
LYMPHOMA
TRANSLOCATION
PROTEIN 1
(Homo
sapiens)		4 / 8ARG A 392
PHE A 424
ASP A 471
TYR A 417
None
1.13A21.52
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.
3JQ7_B_DX2B271_1
(PTERIDINE REDUCTASE
1)		4a5w COMPLEMENT C5
(Homo
sapiens)		4 / 8SER A1184
PHE A1186
LEU A1144
TRP A1077
None
0.95A11.13
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.
3JQ7_B_DX2B271_1
(PTERIDINE REDUCTASE
1)		4ell RETINOBLASTOMA-ASSOC
IATED PROTEIN
(Homo
sapiens)		4 / 8SER A 485
TYR A 606
LEU A 569
PRO A 568
None
1.24A20.80
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.
3JQ7_B_DX2B271_1
(PTERIDINE REDUCTASE
1)		4gdl AUTOPHAGY PROTEIN 5
(Homo
sapiens)		4 / 8PHE B 182
TYR B 175
LEU B 265
PRO B 186
None
1.14A19.88
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.
3JQ7_B_DX2B271_1
(PTERIDINE REDUCTASE
1)		4i1p MUCOSA-ASSOCIATED
LYMPHOID TISSUE
LYMPHOMA
TRANSLOCATION
PROTEIN 1
(Homo
sapiens)		4 / 8ARG A 392
PHE A 424
ASP A 471
TYR A 417
ACT  A 804 ( 2.9A)
None
None
None
1.02A19.38
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.
3JQ7_B_DX2B271_1
(PTERIDINE REDUCTASE
1)		4ntj P2Y PURINOCEPTOR
12,SOLUBLE
CYTOCHROME B562,P2Y
PURINOCEPTOR 12
(Escherichia
coli;
Homo
sapiens)		4 / 8SER A 180
PHE A 182
LEU A 157
PRO A 158
None
1.22A20.47
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.
3JQ7_B_DX2B271_1
(PTERIDINE REDUCTASE
1)		4ykn PHOSPHATIDYLINOSITOL
3-KINASE REGULATORY
SUBUNIT
ALPHA,PHOSPHATIDYLIN
OSITOL
4,5-BISPHOSPHATE
3-KINASE CATALYTIC
SUBUNIT ALPHA
ISOFORM FUSION
PROTEIN
(Homo
sapiens)		4 / 8SER A 474
TYR A 470
LEU A1445
PRO A1471
None
1.21A11.81
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.
3JQ7_B_DX2B271_1
(PTERIDINE REDUCTASE
1)		5dot CARBAMOYL-PHOSPHATE
SYNTHASE [AMMONIA],
MITOCHONDRIAL
(Homo
sapiens)		4 / 8ARG A1453
SER A1314
LEU A1438
PRO A1439
None
0.94A12.01
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.
3JQ7_B_DX2B271_1
(PTERIDINE REDUCTASE
1)		6ba5 INACTIVE
TYROSINE-PROTEIN
KINASE TRANSMEMBRANE
RECEPTOR ROR1
VARIABLE DOMAIN
HEAVY CHAIN,
ANTIBODY R11
VARIABLE DOMAIN OF
LIGHT CHAIN,
ANTIBODY R11
(Homo
sapiens)		4 / 8SER B  26
ASP M 384
TYR B  31
LEU A  47
None
1.07A15.81
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.
3JQ7_B_DX2B271_1
(PTERIDINE REDUCTASE
1)		6bq1 PHOSPHATIDYLINOSITOL
4-KINASE III ALPHA
(PI4KA)
(Homo
sapiens)		4 / 8SER A1766
ASP A1786
LEU A1804
PRO A1794
None
0.99A0.00
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.
3JQ7_B_DX2B271_1
(PTERIDINE REDUCTASE
1)		6gmb HYDROXYACID OXIDASE
1
(Homo
sapiens)		4 / 8SER A 203
PHE A 175
LEU A 181
PRO A 178
None
1.23A18.75
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.
3JQ7_C_DX2C270_1
(PTERIDINE REDUCTASE
1)		1hkk CHITOTRIOSIDASE-1
(Homo
sapiens)		4 / 8ASP A 136
TYR A  27
VAL A 207
LEU A 260
AMI  A1388 ( 4.9A)
AMI  A1388 (-3.6A)
None
None
1.09A21.67
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.
3JQ7_C_DX2C270_1
(PTERIDINE REDUCTASE
1)		1jl0 S-ADENOSYLMETHIONINE
DECARBOXYLASE
PROENZYME
(Homo
sapiens)		4 / 8SER A 109
ASP A 174
TYR A 318
LEU A  13
None
PUT  A 401 (-3.4A)
PUT  A 401 (-4.0A)
PUT  A 401 (-4.4A)
1.04A20.58
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.
3JQ7_C_DX2C270_1
(PTERIDINE REDUCTASE
1)		1mco IGG1 MCG INTACT
ANTIBODY (HEAVY
CHAIN)
(Homo
sapiens)		4 / 8SER H 385
VAL H 354
LEU H 391
PRO H 381
None
1.15A20.36
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.
3JQ7_C_DX2C270_1
(PTERIDINE REDUCTASE
1)		1suv TRANSFERRIN RECEPTOR
PROTEIN 1
(Homo
sapiens)		4 / 8PHE A 701
VAL A 681
LEU A 501
PRO A 500
None
0.98A17.34
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.
3JQ7_C_DX2C270_1
(PTERIDINE REDUCTASE
1)		1t04 HUZAF ANTIBODY HEAVY
CHAIN
(Homo
sapiens)		4 / 8SER B 134
VAL B 188
LEU B 142
PRO B 130
None
1.12A22.90
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.
3JQ7_C_DX2C270_1
(PTERIDINE REDUCTASE
1)		1wb0 CHITOTRIOSIDASE 1
(Homo
sapiens)		4 / 8ASP A 136
TYR A  27
VAL A 207
LEU A 260
None
1.10A19.43
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.
3JQ7_C_DX2C270_1
(PTERIDINE REDUCTASE
1)		1xnj BIFUNCTIONAL
3'-PHOSPHOADENOSINE
5'-PHOSPHOSULFATE
SYNTHETASE 1
(Homo
sapiens)		4 / 8SER B 133
PHE B 131
VAL B 116
LEU B  95
None
ADX  B2805 (-4.6A)
None
None
1.04A18.24
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.
3JQ7_C_DX2C270_1
(PTERIDINE REDUCTASE
1)		2ax4 BIFUNCTIONAL
3'-PHOSPHOADENOSINE
5'-PHOSPHOSULFATE
SYNTHETASE 2
(Homo
sapiens)		4 / 8SER A 133
PHE A 131
VAL A 116
LEU A  95
None
1.04A21.81
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.
3JQ7_C_DX2C270_1
(PTERIDINE REDUCTASE
1)		2byf PHOSPHOLIPASE C,
EPSILON 1
(Homo
sapiens)		4 / 8SER A  45
VAL A  22
LEU A  20
PRO A  19
None
1.15A18.02
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.
3JQ7_C_DX2C270_1
(PTERIDINE REDUCTASE
1)		2c0y PROCATHEPSIN S
(Homo
sapiens)		4 / 8SER A 243
PHE A 244
TYR A 252
VAL A 261
None
1.10A22.99
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.
3JQ7_C_DX2C270_1
(PTERIDINE REDUCTASE
1)		2le9 ADVANCED
GLYCOSYLATION END
PRODUCT-SPECIFIC
RECEPTOR
PROTEIN S100-A13
(Homo
sapiens)		4 / 8ARG B  29
VAL A  46
LEU A  48
PRO A  49
None
0.99A19.65
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.
3JQ7_C_DX2C270_1
(PTERIDINE REDUCTASE
1)		2pey BIFUNCTIONAL
3'-PHOSPHOADENOSINE
5'-PHOSPHOSULFATE
SYNTHETASE 1 (PAPS
SYNTHETASE 1) (PAPSS
1) (SULFURYLASE
KINASE 1) (SK1) (SK
1)
(Homo
sapiens)		4 / 8SER A 133
PHE A 131
VAL A 116
LEU A  95
None
ADX  A 400 (-4.7A)
None
None
0.98A20.14
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.
3JQ7_C_DX2C270_1
(PTERIDINE REDUCTASE
1)		3eh2 PROTEIN TRANSPORT
PROTEIN SEC24C
(Homo
sapiens)		4 / 8SER A 717
ASP A 612
LEU A  78
PRO A  79
None
1.07A17.32
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.
3JQ7_C_DX2C270_1
(PTERIDINE REDUCTASE
1)		3gzd SELENOCYSTEINE LYASE
(Homo
sapiens)		4 / 8ARG C 327
VAL C 203
LEU C 355
PRO C 356
None
1.06A21.03
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.
3JQ7_C_DX2C270_1
(PTERIDINE REDUCTASE
1)		3lw0 INSULIN-LIKE GROWTH
FACTOR 1 RECEPTOR
(Homo
sapiens)		4 / 8PHE A1189
ASP A1135
VAL A1176
LEU A1184
CCX  A   1 ( 4.4A)
None
None
None
1.10A21.16
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.
3JQ7_C_DX2C270_1
(PTERIDINE REDUCTASE
1)		3nks PROTOPORPHYRINOGEN
OXIDASE
(Homo
sapiens)		4 / 8ARG A  59
SER A 350
VAL A  46
LEU A  56
None
0.83A22.44