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.
4FGK_A_0TXA302_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		1zq9 PROBABLE
DIMETHYLADENOSINE
TRANSFERASE
(Homo
sapiens)		4 / 6PHE A 159
ILE A 133
PRO A 130
PHE A 155
None
SAM  A4000 ( 4.5A)
SAM  A4000 (-4.1A)
None
1.17A19.80
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.
4FGK_A_0TXA302_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		2p82 CYSTEINE PROTEASE
ATG4A
(Homo
sapiens)		4 / 6GLN A  83
PHE A  55
ILE A 128
PHE A 300
None
1.19A22.07
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.
4FGK_A_0TXA302_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		2rhz LETHAL(3)MALIGNANT
BRAIN TUMOR-LIKE
PROTEIN
(Homo
sapiens)		4 / 6PHE A 281
ILE A 247
PRO A 252
PHE A 272
None
1.26A22.80
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.
4FGK_A_0TXA302_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		2u1a U1 SMALL NUCLEAR
RIBONUCLEOPROTEIN A
(Homo
sapiens)		4 / 6GLN A  36
PHE A  37
PHE A  34
PHE A  57
None
1.18A17.81
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.
4FGK_A_0TXA302_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		3a7s UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE ISOZYME L5
(Homo
sapiens)		4 / 6PHE A  56
ILE A 216
PHE A 218
PHE A  54
None
0.98A22.09
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.
4FGK_A_0TXA302_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		3co1 MICROTUBULE-ASSOCIAT
ED PROTEIN RP/EB
FAMILY MEMBER 3
(Homo
sapiens)		4 / 6GLN A 109
PHE A 105
ILE A 108
PHE A 101
None
1.21A20.33
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.
4FGK_A_0TXA302_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		3l5k HALOACID
DEHALOGENASE-LIKE
HYDROLASE
DOMAIN-CONTAINING
PROTEIN 1A
(Homo
sapiens)		4 / 6ILE A 107
PRO A 108
PHE A 109
PHE A  13
None
0.84A22.01
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FGK_A_0TXA302_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		3te7 RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE]
(Homo
sapiens)		4 / 6GLN A 122
ILE A 128
PRO A 129
PHE A 131
TE7  A   1 ( 4.3A)
None
None
None
1.02A98.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FGK_A_0TXA302_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		3te7 RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE]
(Homo
sapiens)		5 / 6GLN A 122
PHE A 126
PRO A 129
PHE A 131
PHE A 178
TE7  A   1 ( 4.3A)
TE7  A   1 (-4.3A)
None
None
TE7  A   1 (-3.6A)
0.51A98.28
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.
4FGK_A_0TXA302_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		4b99 MITOGEN-ACTIVATED
PROTEIN KINASE 7
(Homo
sapiens)		4 / 6PHE A  90
ILE A  86
PRO A  87
PHE A 130
None
1.02A19.70
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.
4FGK_A_0TXA302_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		4qk3 CARBONIC ANHYDRASE 2
(Homo
sapiens)		4 / 6GLN A  28
ILE A  22
PRO A  21
PHE A  20
None
1.12A25.64
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.
4FGK_A_0TXA302_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		4r3i YTH
DOMAIN-CONTAINING
PROTEIN 1
(Homo
sapiens)		4 / 6PHE A 455
ILE A 473
PRO A 470
PHE A 409
None
U  B   5 ( 3.8A)
None
None
1.17A22.32
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.
4FGK_A_0TXA302_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		4ufs LEUCINE-RICH
REPEAT-CONTAINING
G-PROTEIN COUPLED
RECEPTOR 5
(Homo
sapiens)		4 / 6PHE A 288
ILE A 293
PRO A 292
PHE A 264
None
1.27A17.31
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.
4FGK_A_0TXA302_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		4zsl MITOGEN-ACTIVATED
PROTEIN KINASE 7
(Homo
sapiens)		4 / 6PHE A  90
ILE A  86
PRO A  87
PHE A 130
None
4QZ  A 401 (-4.4A)
None
None
1.09A19.83
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.
4FGK_A_0TXA302_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		5mw5 PROTEIN JAGGED-2
(Homo
sapiens)		4 / 6ILE A 132
PRO A 133
PHE A 134
PHE A 136
None
1.04A20.26
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.
4FGK_A_0TXA302_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6d0s TBC1 DOMAIN FAMILY
MEMBER 22B
(Homo
sapiens)		4 / 6GLN A 284
PRO A 280
PHE A 282
PHE A 291
None
1.27Aundetectable
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.
4FGK_A_0TXA302_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6d2l HISTONE-ARGININE
METHYLTRANSFERASE
CARM1
(Homo
sapiens)		4 / 6ILE A 372
PRO A 373
PHE A 374
PHE A 376
None
0.96Aundetectable
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.
4FGK_A_0TXA302_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		1fyh INTERFERON GAMMA
INTERFERON GAMMA
RECEPTOR 1
(Homo
sapiens;
Homo
sapiens)		4 / 7GLY A  26
GLY B  50
TYR B  49
ASN B  79
None
1.09A21.95
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.
4FGK_A_0TXA302_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		1h2t 80 KDA NUCLEAR CAP
BINDING PROTEIN
(Homo
sapiens)		4 / 7GLY C 102
GLY C 101
ASN C  97
GLU C 106
None
1.08A17.05
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.
4FGK_A_0TXA302_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		1mx3 C-TERMINAL BINDING
PROTEIN 1
(Homo
sapiens)		4 / 7GLY A 267
GLY A 268
ASN A 243
GLU A 295
None
None
NAD  A1000 (-4.2A)
None
0.81A20.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FGK_A_0TXA302_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		1qbg NAD(P)H
DEHYDROGENASE
[QUINONE] 1
(Homo
sapiens)		5 / 7TRP 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)
0.52A40.00
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.
4FGK_A_0TXA302_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		1xiw T-CELL SURFACE
GLYCOPROTEIN CD3
EPSILON CHAIN
IMMUNOGLOBULIN HEAVY
CHAIN VARIABLE
REGION
(Homo
sapiens;
Mus
musculus)		4 / 7GLY A  46
GLY A  47
TYR D 101
ASN D  52
None
1.07A18.06
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.
4FGK_A_0TXA302_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		2b5m DAMAGE-SPECIFIC DNA
BINDING PROTEIN 1
(Homo
sapiens)		4 / 7GLY A 227
GLY A 228
TYR A 239
GLU A 224
None
0.86A11.57
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.
4FGK_A_0TXA302_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		2ome C-TERMINAL-BINDING
PROTEIN 2
(Homo
sapiens)		4 / 7GLY A 273
GLY A 274
ASN A 249
GLU A 301
None
None
NAD  A 901 (-4.2A)
None
0.72A19.94
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.
4FGK_A_0TXA302_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		2w4k DEATH-ASSOCIATED
PROTEIN KINASE 1
(Homo
sapiens)		4 / 7GLY A  99
GLY A  98
ASN A 151
GLU A 100
None
1.12A20.65
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.
4FGK_A_0TXA302_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		3ii7 KELCH-LIKE PROTEIN 7
(Homo
sapiens)		4 / 7GLY A 437
GLY A 436
MET A 467
ASN A 449
None
1.06A21.79
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.
4FGK_A_0TXA302_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		3lpy PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
E
(Homo
sapiens)		4 / 7GLY A  12
GLY A  11
TYR A   9
ASN A  80
None
1.06A18.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FGK_A_0TXA302_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		3te7 RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE]
(Homo
sapiens)		7 / 7TRP 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)
0.39A98.28
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.
4FGK_A_0TXA302_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		3zk6 BCL-2-LIKE PROTEIN 1
(Homo
sapiens)		4 / 7GLY A 148
GLY A 147
MET A 170
GLU A  98
None
1.10A22.32
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.
4FGK_A_0TXA302_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		4d8o ANKYRIN-2
(Homo
sapiens)		4 / 7GLY A1135
GLY A1136
ASN A1129
GLU A1152
None
0.93A17.09
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.
4FGK_A_0TXA302_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		4glp MONOCYTE
DIFFERENTIATION
ANTIGEN CD14
(Homo
sapiens)		4 / 7TRP A  45
GLY A  62
GLY A  63
ASN A  65
None
1.12A23.19
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.
4FGK_A_0TXA302_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		4hyy MEIOTIC
RECOMBINATION
PROTEIN DMC1/LIM15
HOMOLOG
(Homo
sapiens)		4 / 7GLY A 290
GLY A 289
MET A 226
ASN A 268
None
1.07A22.50
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.
4FGK_A_0TXA302_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		4miv N-SULPHOGLUCOSAMINE
SULPHOHYDROLASE
(Homo
sapiens)		4 / 7GLY A 127
MET A  88
ASN A  86
GLU A 141
None
1.11A18.09
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.
4FGK_A_0TXA302_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		4q6r SPHINGOSINE-1-PHOSPH
ATE LYASE 1
(Homo
sapiens)		4 / 7GLY A 398
GLY A 399
TYR A 164
GLU A 185
None
1.08A20.35
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.
4FGK_A_0TXA302_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		4u7t DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 3A
(Homo
sapiens)		4 / 7GLY A 543
GLY A 542
TYR A 536
GLU A 561
 ZN  A1002 ( 4.6A)
None
None
None
1.05A19.06
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.
4FGK_A_0TXA302_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		5c41 RIBOKINASE
(Homo
sapiens)		4 / 7GLY A  53
GLY A  52
TYR A  84
ASN A  87
None
0.97A21.76
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.
4FGK_A_0TXA302_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		5fqd DNA DAMAGE-BINDING
PROTEIN 1
(Homo
sapiens)		4 / 7GLY A 227
GLY A 228
TYR A 239
GLU A 224
None
1.05A14.23
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.
4FGK_A_0TXA302_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		5wvo DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 1
(Homo
sapiens)		4 / 7GLY C 451
GLY C 452
ASN C 383
GLU C 450
None
0.84A22.34
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.
4FGK_A_0TXA302_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		6eot DIPEPTIDYL PEPTIDASE
8
(Homo
sapiens)		4 / 7GLY A 183
GLY A 185
TYR A 187
GLU A 152
None
1.09Aundetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FGK_A_0TXA304_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		3te7 RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE]
(Homo
sapiens)		5 / 10ASN A  66
VAL A  69
GLN A 122
PHE A 126
PHE A 178
None
None
TE7  A   1 ( 4.3A)
TE7  A   1 (-4.3A)
TE7  A   1 (-3.6A)
0.18A98.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FGK_A_0TXA304_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		3te7 RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE]
(Homo
sapiens)		5 / 10TRP A 105
GLY A 149
GLY A 150
MET A 154
GLU A 193
FAD  A 232 ( 4.3A)
FAD  A 232 (-3.6A)
FAD  A 232 (-3.6A)
None
FAD  A 232 ( 3.1A)
0.08A98.28