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.
4FGJ_A_1PQA303_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])
3te7 RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE]
(Homo
sapiens)
6 / 9TRP A 105
GLY A 149
GLY A 150
MET A 154
ASN A 161
GLU A 193
FAD  A 232 ( 4.3A)
FAD  A 232 (-3.6A)
FAD  A 232 (-3.6A)
None
None
FAD  A 232 ( 3.1A)
0.15A98.28
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.
4FGJ_A_1PQA304_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])
1bnl COLLAGEN XVIII
(Homo
sapiens)
4 / 8ILE A 100
PHE A  49
TRP A  83
GLY A  92
None
0.77A22.22
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.
4FGJ_A_1PQA304_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])
1zvd SMAD UBIQUITINATION
REGULATORY FACTOR 2
(Homo
sapiens)
4 / 8PHE A 504
ILE A 626
PHE A 508
GLY A 487
None
1.01A20.92
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.
4FGJ_A_1PQA304_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])
2f9q CYTOCHROME P450 2D6
(Homo
sapiens)
5 / 8PHE A 420
ILE A 360
PHE A 433
TRP A 409
GLY A 367
None
1.22A19.63
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.
4FGJ_A_1PQA304_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])
2k1m MYOSIN-BINDING
PROTEIN C,
CARDIAC-TYPE
(Homo
sapiens)
4 / 8PHE A  28
ILE A  48
PHE A  89
GLY A  76
None
1.01A21.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FGJ_A_1PQA304_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])
3te7 RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE]
(Homo
sapiens)
4 / 8TRP A 105
GLY A 149
ASN A 161
GLU A 193
FAD  A 232 ( 4.3A)
FAD  A 232 (-3.6A)
None
FAD  A 232 ( 3.1A)
0.09A98.28
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.
4FGJ_A_1PQA304_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])
3v4p INTEGRIN ALPHA-4
(Homo
sapiens)
4 / 8GLN A 230
GLY A 225
ASN A 341
GLU A 234
None
1.01A17.03
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.
4FGJ_A_1PQA304_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])
4ky9 BAND 3 ANION
TRANSPORT PROTEIN
(Homo
sapiens)
4 / 8GLN A 191
ILE A 276
GLY A 232
GLU A  63
None
0.97A22.12
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.
4FGJ_A_1PQA304_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])
5bwa ORNITHINE
DECARBOXYLASE
(Homo
sapiens)
4 / 8GLN A 341
ILE A  28
GLY A 378
ASN A 319
None
0.97A19.87
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.
4FGJ_A_1PQA304_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])
5f0p SORTING NEXIN-3
(Homo
sapiens)
4 / 8GLN C 100
ILE C 109
GLY C  94
GLU C  75
SO4  C 202 (-3.3A)
SO4  C 202 (-4.4A)
None
None
1.02A20.25
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.
4FGJ_A_1PQA304_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])
5nge UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 7
(Homo
sapiens)
4 / 8PHE A 409
ILE A 419
GLY A 458
ASN A 512
8WK  A 601 (-3.8A)
None
None
None
0.95A22.06
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.
4FGJ_A_1PQA304_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])
5nug CYTOPLASMIC DYNEIN 1
HEAVY CHAIN 1
(Homo
sapiens)
4 / 8ILE A4294
GLY A4322
ASN A4325
GLU A4637
None
0.96A4.40
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.
4FGJ_A_1PQA304_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])
5yq5 OSTEOMODULIN
(Homo
sapiens)
4 / 8PHE A 296
ILE A 272
GLY A 288
ASN A 340
None
0.95Aundetectable