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.
5K9D_A_CE9A402_0
(DIHYDROOROTATE
DEHYDROGENASE
(QUINONE),
MITOCHONDRIAL)
1fch PEROXISOMAL
TARGETING SIGNAL 1
RECEPTOR
(Homo
sapiens)
5 / 12ALA A 373
LEU A 372
ALA A 371
THR A 340
LEU A 486
None
1.18A25.00
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.
5K9D_A_CE9A402_0
(DIHYDROOROTATE
DEHYDROGENASE
(QUINONE),
MITOCHONDRIAL)
2a1x PHYTANOYL-COA
DIOXYGENASE
(Homo
sapiens)
5 / 12MET A 250
LEU A  67
PHE A  66
TYR A 133
THR A 194
None
1.19A22.51
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.
5K9D_A_CE9A402_0
(DIHYDROOROTATE
DEHYDROGENASE
(QUINONE),
MITOCHONDRIAL)
2c0l PEROXISOMAL
TARGETING SIGNAL 1
RECEPTOR
(Homo
sapiens)
5 / 12ALA A 410
LEU A 409
ALA A 408
THR A 377
LEU A 523
None
1.21A25.68
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.
5K9D_A_CE9A402_0
(DIHYDROOROTATE
DEHYDROGENASE
(QUINONE),
MITOCHONDRIAL)
2oew PROGRAMMED CELL
DEATH 6-INTERACTING
PROTEIN
(Homo
sapiens)
5 / 12ALA A 131
LEU A 130
ALA A 129
PHE A 125
LEU A 187
None
1.20A21.65
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.
5K9D_A_CE9A402_0
(DIHYDROOROTATE
DEHYDROGENASE
(QUINONE),
MITOCHONDRIAL)
3l5k HALOACID
DEHALOGENASE-LIKE
HYDROLASE
DOMAIN-CONTAINING
PROTEIN 1A
(Homo
sapiens)
5 / 12ALA A 112
LEU A 111
ALA A 110
PHE A 134
PHE A 162
None
1.12A21.28
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.
5K9D_A_CE9A402_0
(DIHYDROOROTATE
DEHYDROGENASE
(QUINONE),
MITOCHONDRIAL)
5fql IDURONATE-2-SULFATAS
E
(Homo
sapiens)
5 / 12ALA A 222
LEU A  41
THR A 327
PHE A 219
LEU A 209
None
1.19A23.35
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.
5K9D_A_CE9A402_0
(DIHYDROOROTATE
DEHYDROGENASE
(QUINONE),
MITOCHONDRIAL)
5i7q PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP1A,FKBP-TYPE 16
KDA PEPTIDYL-PROLYL
CIS-TRANS
ISOMERASE,PEPTIDYL-P
ROLYL CIS-TRANS
ISOMERASE FKBP1A
(Escherichia
coli;
Homo
sapiens)
5 / 12LEU A 152
PHE A  48
LEU A  50
THR A  21
PRO A  16
None
1.20A19.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5K9D_A_CE9A402_0
(DIHYDROOROTATE
DEHYDROGENASE
(QUINONE),
MITOCHONDRIAL)
5mvd DIHYDROOROTATE
DEHYDROGENASE
(QUINONE),
MITOCHONDRIAL
(Homo
sapiens)
11 / 12MET A  43
ALA A  55
HIS A  56
ALA A  59
PHE A  62
THR A  63
PHE A  98
TYR A 356
LEU A 359
THR A 360
PRO A 364
U91  A 403 (-4.1A)
U91  A 403 (-3.6A)
U91  A 403 (-4.1A)
U91  A 403 (-3.3A)
None
U91  A 403 ( 4.9A)
None
FMN  A 401 ( 4.2A)
U91  A 403 ( 4.3A)
U91  A 403 (-3.9A)
U91  A 403 ( 4.3A)
0.15A100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5K9D_A_CE9A402_0
(DIHYDROOROTATE
DEHYDROGENASE
(QUINONE),
MITOCHONDRIAL)
5mvd DIHYDROOROTATE
DEHYDROGENASE
(QUINONE),
MITOCHONDRIAL
(Homo
sapiens)
11 / 12MET A  43
ALA A  55
HIS A  56
LEU A  58
ALA A  59
THR A  63
PHE A  98
TYR A 356
LEU A 359
THR A 360
PRO A 364
U91  A 403 (-4.1A)
U91  A 403 (-3.6A)
U91  A 403 (-4.1A)
None
U91  A 403 (-3.3A)
U91  A 403 ( 4.9A)
None
FMN  A 401 ( 4.2A)
U91  A 403 ( 4.3A)
U91  A 403 (-3.9A)
U91  A 403 ( 4.3A)
0.38A100.00
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.
5K9D_A_CE9A402_0
(DIHYDROOROTATE
DEHYDROGENASE
(QUINONE),
MITOCHONDRIAL)
5npr UDP-N-ACETYLGLUCOSAM
INE--PEPTIDE
N-ACETYLGLUCOSAMINYL
TRANSFERASE 110 KDA
SUBUNIT
(Homo
sapiens)
5 / 12ALA A 946
HIS A 920
THR A 940
LEU A 916
THR A 914
None
1.01Aundetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5K9D_A_CE9A402_0
(DIHYDROOROTATE
DEHYDROGENASE
(QUINONE),
MITOCHONDRIAL)
5tce DIHYDROOROTATE
DEHYDROGENASE
(QUINONE),
MITOCHONDRIAL
(Homo
sapiens)
5 / 12ALA A  23
HIS A  24
ALA A  27
PHE A  30
THR A  31
None
1.04A97.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5K9D_A_CE9A402_0
(DIHYDROOROTATE
DEHYDROGENASE
(QUINONE),
MITOCHONDRIAL)
5tce DIHYDROOROTATE
DEHYDROGENASE
(QUINONE),
MITOCHONDRIAL
(Homo
sapiens)
5 / 12ALA A  23
HIS A  24
LEU A  26
ALA A  27
THR A  31
None
0.64A97.14
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.
5K9D_A_CE9A402_0
(DIHYDROOROTATE
DEHYDROGENASE
(QUINONE),
MITOCHONDRIAL)
5van BETA-KLOTHO
(Homo
sapiens)
5 / 12ALA A 718
HIS A 719
LEU A 721
ALA A 722
LEU A 641
None
0.79Aundetectable
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.
5K9D_A_CE9A402_0
(DIHYDROOROTATE
DEHYDROGENASE
(QUINONE),
MITOCHONDRIAL)
5w21 KLOTHO
(Homo
sapiens)
5 / 12ALA A 706
HIS A 707
LEU A 709
ALA A 710
LEU A 637
None
0.97Aundetectable
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.
5K9D_A_CE9A402_0
(DIHYDROOROTATE
DEHYDROGENASE
(QUINONE),
MITOCHONDRIAL)
6bev THIOSULFATE
SULFURTRANSFERASE/RH
ODANESE-LIKE
DOMAIN-CONTAINING
PROTEIN 1
(Homo
sapiens)
5 / 12ALA A  88
LEU A  91
ALA A  92
LEU A  75
PRO A  68
None
1.01Aundetectable