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.
1LQP_A_FCNA4002_1
(PROBABLE FOSFOMYCIN
RESISTANCE PROTEIN)
5fzo PROBABLE JMJC
DOMAIN-CONTAINING
HISTONE
DEMETHYLATION PROT
EIN 2C
(Homo
sapiens)
5 / 10HIS A2336
GLU A2338
HIS A2466
THR A2333
TRP A2391
MN  A3499 (-3.4A)
MN  A3499 (-2.5A)
MN  A3499 (-3.4A)
None
None
1.20A19.32
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.
1LQP_B_FCNB4001_1
(PROBABLE FOSFOMYCIN
RESISTANCE PROTEIN)
5fzo PROBABLE JMJC
DOMAIN-CONTAINING
HISTONE
DEMETHYLATION PROT
EIN 2C
(Homo
sapiens)
5 / 10HIS A2466
THR A2333
TRP A2391
HIS A2336
GLU A2338
MN  A3499 (-3.4A)
None
None
MN  A3499 (-3.4A)
MN  A3499 (-2.5A)
1.20A19.32
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.
2BNN_A_FCNA1199_1
(EPOXIDASE)
4tnu ASPARTOACYLASE
(Homo
sapiens)
5 / 9TYR A 288
ASN A  70
HIS A  21
GLU A  24
HIS A 116
AS9  A 402 (-4.5A)
AS9  A 402 (-4.0A)
ZN  A 401 ( 3.2A)
ZN  A 401 ( 2.1A)
ZN  A 401 ( 3.4A)
1.36A23.73
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.
2BNN_B_FCNB1199_1
(EPOXIDASE)
1h2t 80 KDA NUCLEAR CAP
BINDING PROTEIN
(Homo
sapiens)
4 / 8TYR C 202
LEU C 203
GLU C 227
HIS C 210
None
0.91A14.58
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.
2BNN_B_FCNB1199_1
(EPOXIDASE)
2hgs PROTEIN (GLUTATHIONE
SYNTHETASE)
(Homo
sapiens)
4 / 8TYR A 265
LEU A 208
GLU A 214
ALA A 210
None
None
GSH  A 503 (-2.4A)
None
1.02A18.39
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.
2BNN_B_FCNB1199_1
(EPOXIDASE)
2w2j CARBONIC
ANHYDRASE-RELATED
PROTEIN
(Homo
sapiens)
4 / 8TYR A 218
LEU A 235
GLU A 139
ALA A 167
None
0.75A18.37
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.
2BNN_B_FCNB1199_1
(EPOXIDASE)
3kz1 RHO GUANINE
NUCLEOTIDE EXCHANGE
FACTOR 11
(Homo
sapiens)
4 / 8LEU A 825
HIS A 749
GLU A 878
ALA A 829
None
0.82A20.21
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.
2BNN_B_FCNB1199_1
(EPOXIDASE)
5kca CEREBELLIN-1,CEREBEL
LIN-1,CEREBELLIN-1,G
LUTAMATE RECEPTOR
IONOTROPIC, DELTA-2
(Homo
sapiens)
4 / 8LEU A 839
GLU A 215
HIS A 834
ALA A 837
None
0.96A12.27
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.
2BNN_B_FCNB1199_1
(EPOXIDASE)
5l85 ZINC FINGER HIT
DOMAIN-CONTAINING
PROTEIN 3
(Homo
sapiens)
4 / 8LEU A 126
HIS A 109
GLU A 133
ALA A 129
None
0.99A16.84
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.
2BNN_B_FCNB1199_1
(EPOXIDASE)
5vhi 26S PROTEASOME
NON-ATPASE
REGULATORY SUBUNIT 2
(Homo
sapiens)
4 / 8ASN f 565
HIS f 566
GLU f 574
ALA f 572
None
1.00A12.98
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.
2BNN_B_FCNB1199_1
(EPOXIDASE)
6c01 ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 3
(Homo
sapiens)
4 / 8TYR A 173
LEU A 342
GLU A 323
ALA A 341
None
1.03A16.48
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.
3D41_A_FCNA4001_1
(FOMA PROTEIN)
1pja PALMITOYL-PROTEIN
THIOESTERASE 2
PRECURSOR
(Homo
sapiens)
4 / 8GLY A 114
GLY A 113
GLY A  44
SER A 137
None
0.59A22.80
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.
3D41_A_FCNA4001_1
(FOMA PROTEIN)
1zli CARBOXYPEPTIDASE B
(Homo
sapiens)
4 / 8GLY A 253
GLY A 252
ILE A 154
SER A 207
None
0.65A21.47
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.
3D41_A_FCNA4001_1
(FOMA PROTEIN)
2esb DUAL SPECIFICITY
PROTEIN PHOSPHATASE
18
(Homo
sapiens)
4 / 8GLY A  32
GLY A 107
ILE A 140
SER A  18
None
EPE  A1002 (-4.3A)
None
None
0.65A20.86
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.
3D41_A_FCNA4001_1
(FOMA PROTEIN)
2wfi PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
G
(Homo
sapiens)
4 / 8GLY A  87
GLY A  86
GLY A  84
SER A 122
None
0.64A19.45
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.
3D41_A_FCNA4001_1
(FOMA PROTEIN)
2x47 MACRO
DOMAIN-CONTAINING
PROTEIN 1
(Homo
sapiens)
4 / 8GLY A 180
GLY A 185
HIS A 188
ILE A 187
None
0.69A21.07
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.
3D41_A_FCNA4001_1
(FOMA PROTEIN)
2xjy LIM DOMAIN-BINDING
PROTEIN 1
RHOMBOTIN-2
(Homo
sapiens)
4 / 8GLY B 348
GLY B 347
ILE A 101
THR A 107
None
0.49A9.56
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.
3D41_A_FCNA4001_1
(FOMA PROTEIN)
3l2p DNA LIGASE 3
(Homo
sapiens)
5 / 8GLY A 699
ILE A 697
SER A 714
SER A 703
THR A 640
None
0.92A19.38
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.
3D41_A_FCNA4001_1
(FOMA PROTEIN)
3max HISTONE DEACETYLASE
2
(Homo
sapiens)
5 / 8GLY A 306
GLY A 305
GLY A 143
HIS A 145
ILE A 161
LLX  A 400 (-3.7A)
LLX  A 400 (-3.5A)
None
LLX  A 400 (-4.0A)
None
1.27A20.31
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.
3D41_A_FCNA4001_1
(FOMA PROTEIN)
3njp EPIDERMAL GROWTH
FACTOR RECEPTOR
(Homo
sapiens)
4 / 8GLY A 315
GLY A 343
GLY A 379
ILE A 402
None
0.61A17.48
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.
3D41_A_FCNA4001_1
(FOMA PROTEIN)
3u7u RECEPTOR
TYROSINE-PROTEIN
KINASE ERBB-4
(Homo
sapiens)
4 / 8GLY A 311
GLY A 339
GLY A 375
ILE A 398
None
0.65A17.83
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.
3D41_A_FCNA4001_1
(FOMA PROTEIN)
4a69 HISTONE DEACETYLASE
3,
(Homo
sapiens)
5 / 8GLY A 257
GLY A 295
GLY A 132
HIS A 134
ILE A 150
None
None
None
ACT  A 501 (-4.0A)
None
1.01A21.45
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.
3D41_A_FCNA4001_1
(FOMA PROTEIN)
4a69 HISTONE DEACETYLASE
3,
(Homo
sapiens)
5 / 8GLY A 296
GLY A 295
GLY A 132
HIS A 134
ILE A 150
ACT  A 501 (-3.0A)
None
None
ACT  A 501 (-4.0A)
None
1.21A21.45
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.
3D41_A_FCNA4001_1
(FOMA PROTEIN)
4bkx HISTONE DEACETYLASE
1
(Homo
sapiens)
5 / 8GLY B 301
GLY B 300
GLY B 138
HIS B 140
ILE B 156
ACT  B 601 (-3.4A)
ACT  B 601 ( 4.8A)
None
ACT  B 601 (-3.7A)
None
1.26A18.80
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.
3D41_A_FCNA4001_1
(FOMA PROTEIN)
4c2k 3-KETOACYL-COA
THIOLASE,
MITOCHONDRIAL
(Homo
sapiens)
4 / 8GLY A 117
GLY A 118
GLY A 355
SER A  98
None
0.55A28.14
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.
3D41_A_FCNA4001_1
(FOMA PROTEIN)
4c2k 3-KETOACYL-COA
THIOLASE,
MITOCHONDRIAL
(Homo
sapiens)
4 / 8GLY A 117
GLY A 118
GLY A 356
SER A  98
None
0.70A28.14
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.
3D41_A_FCNA4001_1
(FOMA PROTEIN)
4gwn MEPRIN A SUBUNIT
BETA
(Homo
sapiens)
5 / 8GLY A 413
GLY A 414
ILE A 380
SER A 350
SER A 411
None
1.14A20.50
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.
3D41_A_FCNA4001_1
(FOMA PROTEIN)
4iqy O-ACETYL-ADP-RIBOSE
DEACETYLASE MACROD2
(Homo
sapiens)
4 / 8GLY A  98
GLY A 103
HIS A 106
ILE A 105
AR6  A 301 ( 3.7A)
None
None
None
0.68A22.26
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.
3D41_A_FCNA4001_1
(FOMA PROTEIN)
5dot CARBAMOYL-PHOSPHATE
SYNTHASE [AMMONIA],
MITOCHONDRIAL
(Homo
sapiens)
5 / 8GLY A 510
GLY A 509
GLY A 429
ILE A 427
SER A 444
None
1.46A12.02
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.
3D41_A_FCNA4001_1
(FOMA PROTEIN)
5jiu RAN-BINDING PROTEIN
9
(Homo
sapiens)
4 / 8GLY A 246
GLY A 253
SER A 235
THR A 315
None
0.67A22.12
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.
3D41_A_FCNA4001_1
(FOMA PROTEIN)
5o4g RECEPTOR
TYROSINE-PROTEIN
KINASE ERBB-2
(Homo
sapiens)
4 / 8GLY C 322
GLY C 350
GLY C 386
ILE C 409
None
0.57A12.10
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.
3D41_A_FCNA4001_1
(FOMA PROTEIN)
5sx4 EPIDERMAL GROWTH
FACTOR RECEPTOR
(Homo
sapiens)
4 / 8GLY M 315
GLY M 343
GLY M 379
ILE M 402
None
0.66A21.33
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.
4IR0_A_FCNA202_1
(METALLOTHIOL
TRANSFERASE FOSB 2)
2y1h PUTATIVE
DEOXYRIBONUCLEASE
TATDN3
(Homo
sapiens)
5 / 11HIS A 170
ARG A 149
GLU A 107
HIS A  14
ALA A 221
ZN  A1273 (-3.2A)
PO4  A1275 ( 4.9A)
ZN  A1274 (-2.4A)
ZN  A1274 ( 3.3A)
PO4  A1275 ( 4.5A)
1.12A19.08
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.
4JH4_B_FCNB202_1
(METALLOTHIOL
TRANSFERASE FOSB)
2y1h PUTATIVE
DEOXYRIBONUCLEASE
TATDN3
(Homo
sapiens)
5 / 11HIS A  14
ALA A 221
HIS A 170
ARG A 149
GLU A 107
ZN  A1274 ( 3.3A)
PO4  A1275 ( 4.5A)
ZN  A1273 (-3.2A)
PO4  A1275 ( 4.9A)
ZN  A1274 (-2.4A)
1.15A18.61
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.
5V3D_A_FCNA205_1
(FOSFOMYCIN
RESISTANCE PROTEIN)
5fzo PROBABLE JMJC
DOMAIN-CONTAINING
HISTONE
DEMETHYLATION PROT
EIN 2C
(Homo
sapiens)
5 / 10HIS A2466
THR A2333
TRP A2391
HIS A2336
GLU A2338
MN  A3499 (-3.4A)
None
None
MN  A3499 (-3.4A)
MN  A3499 (-2.5A)
1.21A16.47