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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5LBT_A_6T0A303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		1qbg NAD(P)H
DEHYDROGENASE
[QUINONE] 1
(Homo
sapiens)		5 / 10TRP A 105
GLY A 149
GLY A 150
MET A 154
TYR A 155
FAD  A 501 (-4.5A)
FAD  A 501 (-3.9A)
FAD  A 501 (-4.0A)
None
FAD  A 501 (-4.9A)
0.54A43.18
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.
5LBT_A_6T0A303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		3bdl STAPHYLOCOCCAL
NUCLEASE
DOMAIN-CONTAINING
PROTEIN 1
(Homo
sapiens)		5 / 10ILE A 796
GLY A 829
GLY A 827
TYR A 853
GLU A 833
None
1.44A17.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5LBT_A_6T0A303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		3te7 RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE]
(Homo
sapiens)		7 / 10TRP A 105
GLY A 149
GLY A 150
MET A 154
TYR A 155
ASN A 161
GLU A 193
FAD  A 232 ( 4.3A)
FAD  A 232 (-3.6A)
FAD  A 232 (-3.6A)
None
FAD  A 232 (-4.6A)
None
FAD  A 232 ( 3.1A)
0.10A99.56
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.
5LBT_A_6T0A304_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		1pk6 COMPLEMENT C1Q
SUBCOMPONENT, B
CHAIN PRECURSOR
(Homo
sapiens)		5 / 10GLY B 183
GLY B 184
TYR B 142
PHE B 115
PHE B 215
None
1.47A20.08
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.
5LBT_A_6T0A304_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		1pk6 COMPLEMENT C1Q
SUBCOMPONENT, C
CHAIN PRECURSOR
(Homo
sapiens)		5 / 10GLY C 177
GLY C 178
TYR C 139
PHE C 112
PHE C 209
None
1.49A20.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5LBT_A_6T0A304_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		1qbg NAD(P)H
DEHYDROGENASE
[QUINONE] 1
(Homo
sapiens)		5 / 10TRP A 105
GLY A 149
GLY A 150
MET A 154
TYR A 155
FAD  A 501 (-4.5A)
FAD  A 501 (-3.9A)
FAD  A 501 (-4.0A)
None
FAD  A 501 (-4.9A)
0.58A43.18
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.
5LBT_A_6T0A304_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		1u2h AORTIC
PREFERENTIALLY
EXPRESSED PROTEIN 1
(Homo
sapiens)		5 / 10GLY A  74
GLY A  73
GLU A  70
PHE A  22
ILE A  41
None
1.37A21.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5LBT_A_6T0A304_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		3te7 RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE]
(Homo
sapiens)		7 / 10TRP A 105
GLY A 149
GLY A 150
MET A 154
TYR A 155
ASN A 161
GLU A 193
FAD  A 232 ( 4.3A)
FAD  A 232 (-3.6A)
FAD  A 232 (-3.6A)
None
FAD  A 232 (-4.6A)
None
FAD  A 232 ( 3.1A)
0.22A99.56
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.
5LBT_A_6T0A304_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		5fpn HEAT SHOCK-RELATED
70 KDA PROTEIN 2
(Homo
sapiens)		5 / 10GLY A 341
GLY A 340
PHE A 312
ILE A 348
PHE A 235
KYD  A1386 (-3.7A)
None
None
None
None
1.50A16.17
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.
5LBT_A_6T0A304_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		5hkj COMPLEMENT C1Q
SUBCOMPONENT SUBUNIT
A,COMPLEMENT C1Q
SUBCOMPONENT SUBUNIT
C,COMPLEMENT C1Q
SUBCOMPONENT SUBUNIT
B
(Homo
sapiens)		5 / 10GLY A 230
GLY A 231
TYR A 192
PHE A 165
PHE A 262
None
1.49A19.76
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.
5LBT_A_6T0A304_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		5w7c ACYLOXYACYL
HYDROLASE
(Homo
sapiens)		5 / 10GLY C 528
MET C 463
TYR C 448
PHE C 505
PHE C 423
None
None
None
DAO  C 609 ( 4.9A)
DAO  C 609 ( 3.8A)
1.24A16.91
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.
5LBT_B_6T0B304_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		1f59 IMPORTIN BETA-1
(Homo
sapiens)		4 / 4LYS A 191
ASN A 188
VAL A 233
ASP A 230
None
1.37A19.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5LBT_B_6T0B304_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		3te7 RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE]
(Homo
sapiens)		4 / 4LYS A  22
ASN A  23
VAL A  26
ASP A  27
None
0.14A99.56
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.
5ZSF_A_6T0A910_0
(TOLL-LIKE RECEPTOR 7)		1zq9 PROBABLE
DIMETHYLADENOSINE
TRANSFERASE
(Homo
sapiens)		4 / 7THR A 230
LEU A 238
ILE A 276
PHE A 305
None
0.98A15.70
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.
5ZSF_A_6T0A910_0
(TOLL-LIKE RECEPTOR 7)		2de0 ALPHA-(1,6)-FUCOSYLT
RANSFERASE
(Homo
sapiens)		4 / 7THR X 408
ASP X 410
LEU X 413
TYR X 382
None
1.01A9.63
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.
5ZSF_A_6T0A910_0
(TOLL-LIKE RECEPTOR 7)		2xsw 72 KDA INOSITOL
POLYPHOSPHATE
5-PHOSPHATASE
(Homo
sapiens)		4 / 7THR A 392
LEU A 407
ILE A 421
THR A 422
None
1.03A11.05
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.
5ZSF_A_6T0A910_0
(TOLL-LIKE RECEPTOR 7)		3ooi HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-36 AND H4
LYSINE-20 SPECIFIC
(Homo
sapiens)		4 / 7THR A 178
ILE A 156
THR A 149
TYR A 207
None
1.02A17.41
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.
5ZSF_A_6T0A910_0
(TOLL-LIKE RECEPTOR 7)		3pds FUSION PROTEIN
BETA-2 ADRENERGIC
RECEPTOR/LYSOZYME
(Homo
sapiens;
Escherichia
virus
T4)		4 / 7THR A 274
ILE A  72
THR A  68
PHE A 332
None
None
SO4  A1203 (-3.2A)
None
1.03A10.81
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.
5ZSF_A_6T0A910_0
(TOLL-LIKE RECEPTOR 7)		3ro2 G-PROTEIN-SIGNALING
MODULATOR 2
PEPTIDE OF NUCLEAR
MITOTIC APPARATUS
PROTEIN 1
(Mus
musculus;
Homo
sapiens)		4 / 7THR A 286
ILE A 246
TYR A 279
PHE B1992
None
0.95A12.46
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.
5ZSF_A_6T0A910_0
(TOLL-LIKE RECEPTOR 7)		4gbr BETA-2 ADRENERGIC
RECEPTOR
(Homo
sapiens)		4 / 7THR A 246
ILE A  72
THR A  68
PHE A 304
None
0.95A14.23
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.
5ZSF_A_6T0A910_0
(TOLL-LIKE RECEPTOR 7)		4mob ACYL-COENZYME A
THIOESTERASE 12
(Homo
sapiens)		4 / 7THR A 130
ASP A 133
LEU A 129
THR A 127
None
0.96A13.41
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.
5ZSF_A_6T0A910_0
(TOLL-LIKE RECEPTOR 7)		4wv4 TRANSCRIPTION
INITIATION FACTOR
TFIID SUBUNIT 10
TRANSCRIPTION
INITIATION FACTOR
TFIID SUBUNIT 8
(Homo
sapiens;
Homo
sapiens)		4 / 7THR B  96
ILE A 151
THR B  89
PHE A 144
None
None
GOL  A 301 (-3.6A)
None
0.88A23.71
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.
5ZSF_A_6T0A910_0
(TOLL-LIKE RECEPTOR 7)		5lsu HISTONE-LYSINE
N-METHYLTRANSFERASE
NSD2
(Homo
sapiens)		4 / 7THR A1150
ILE A1128
THR A1121
TYR A1179
None
None
None
SAM  A1304 (-4.1A)
1.03A14.68
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.
5ZSF_A_6T0A910_0
(TOLL-LIKE RECEPTOR 7)		5lub LEGUMAIN
(Homo
sapiens)		4 / 7LEU B 117
ILE B 170
THR B 169
PHE B 184
None
0.96A14.40
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.
5ZSF_A_6T0A910_0
(TOLL-LIKE RECEPTOR 7)		5vbb RNA PSEUDOURIDYLATE
SYNTHASE
DOMAIN-CONTAINING
PROTEIN 1
(Homo
sapiens)		4 / 7THR A 170
LEU A 145
ILE A 114
THR A 113
SO4  A 302 ( 4.0A)
None
None
None
0.88A14.47
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.
5ZSF_A_6T0A910_0
(TOLL-LIKE RECEPTOR 7)		5xtc NADH DEHYDROGENASE
[UBIQUINONE] 1 BETA
SUBCOMPLEX SUBUNIT
5, MITOCHONDRIAL
NADH DEHYDROGENASE
[UBIQUINONE]
IRON-SULFUR PROTEIN
5
NADH-UBIQUINONE
OXIDOREDUCTASE CHAIN
2
(Homo
sapiens;
Homo
sapiens;
Homo
sapiens)		4 / 7THR i  89
ILE a 174
THR a 173
TYR h  60
None
0.82A11.80
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.
5ZSF_A_6T0A910_0
(TOLL-LIKE RECEPTOR 7)		5xtd NADH-UBIQUINONE
OXIDOREDUCTASE CHAIN
1
(Homo
sapiens)		4 / 7THR s  67
LEU s  70
ILE s  72
THR s  73
None
1.00A12.32
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.
5ZSF_B_6T0B913_0
(TOLL-LIKE RECEPTOR 7)		3mjg BETA-TYPE
PLATELET-DERIVED
GROWTH FACTOR
RECEPTOR
(Homo
sapiens)		5 / 9TYR X 249
VAL X 258
LEU X 233
ILE X 275
THR X 232
None
1.32A15.41
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.
5ZSF_B_6T0B913_0
(TOLL-LIKE RECEPTOR 7)		4jmj RNA/RNP
COMPLEX-1-INTERACTIN
G PHOSPHATASE
(Homo
sapiens)		5 / 9VAL A 107
PHE A 103
THR A  89
LEU A  66
THR A 132
None
1.50A22.50
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.
5ZSF_B_6T0B913_0
(TOLL-LIKE RECEPTOR 7)		5e5b FACT COMPLEX SUBUNIT
SPT16
(Homo
sapiens)		5 / 9VAL A 428
THR A 419
ASP A 405
LEU A 286
ILE A 403
None
1.26A13.15
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.
5ZSF_B_6T0B913_0
(TOLL-LIKE RECEPTOR 7)		5kbd TUMOR PROTEIN P73
(Homo
sapiens)		5 / 9VAL A 238
THR A 158
LEU A 253
ILE A 161
THR A 251
None
1.42A15.87
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.
5ZSF_B_6T0B913_0
(TOLL-LIKE RECEPTOR 7)		5szw ELAV-LIKE PROTEIN 1
(Homo
sapiens)		5 / 9TYR A  70
VAL A  68
PHE A  42
THR A  82
ILE A  93
None
1.18A20.00