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.
4BWL_C_MN9C1297_0
(N-ACETYLNEURAMINATE
LYASE)
2ymb MIT
DOMAIN-CONTAINING
PROTEIN 1
(Homo
sapiens)
5 / 10ILE A  94
THR A 236
GLY A 208
GLY A 210
PHE A 107
None
1.27A22.86
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.
4BWL_C_MN9C1297_0
(N-ACETYLNEURAMINATE
LYASE)
3ber PROBABLE
ATP-DEPENDENT RNA
HELICASE DDX47
(Homo
sapiens)
5 / 10ILE A 108
LEU A 104
GLY A  76
GLY A  73
SER A  72
None
None
None
AMP  A 300 (-3.3A)
AMP  A 300 (-4.1A)
1.20A23.82
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.
4BWL_C_MN9C1297_0
(N-ACETYLNEURAMINATE
LYASE)
3c0i PERIPHERAL PLASMA
MEMBRANE PROTEIN
CASK
(Homo
sapiens)
5 / 10ILE A 167
GLY A 197
TYR A 196
GLY A 173
SER A 172
None
1.00A20.59
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.
4BWL_C_MN9C1297_0
(N-ACETYLNEURAMINATE
LYASE)
3ff6 ACETYL-COA
CARBOXYLASE 2
(Homo
sapiens)
5 / 10LEU A1945
TYR A1810
ASP A1807
GLY A1910
SER A1911
None
1.25A17.11
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.
4BWL_C_MN9C1297_0
(N-ACETYLNEURAMINATE
LYASE)
4mwt LYSOSOMAL PROTECTIVE
PROTEIN
(Homo
sapiens)
5 / 10LEU A 174
GLY A 177
ASP A 380
GLY A 179
SER A 181
LEU  A 174 ( 0.5A)
GLY  A 177 ( 0.0A)
ASP  A 380 ( 0.5A)
GLY  A 179 ( 0.0A)
SER  A 181 ( 0.0A)
1.13A20.89
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.
4BWL_C_MN9C1297_0
(N-ACETYLNEURAMINATE
LYASE)
5epg ALDEHYDE OXIDASE
(Homo
sapiens)
5 / 10ILE A 291
LEU A 249
GLY A 309
GLY A 307
SER A 413
None
1.20A13.96
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.
4WOZ_B_MN9B401_0
(N-ACETYLNEURAMINATE
LYASE)
1oki BETA CRYSTALLIN B1
(Homo
sapiens)
4 / 6SER A 227
LEU A 228
TYR A 176
LEU A 173
None
0.88A20.59
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.
4WOZ_B_MN9B401_0
(N-ACETYLNEURAMINATE
LYASE)
1u71 DIHYDROFOLATE
REDUCTASE
(Homo
sapiens)
4 / 6SER A  92
LEU A  93
ASP A  94
LEU A  75
None
0.90A21.54
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.
4WOZ_B_MN9B401_0
(N-ACETYLNEURAMINATE
LYASE)
2a14 INDOLETHYLAMINE
N-METHYLTRANSFERASE
(Homo
sapiens)
4 / 6SER A 172
LEU A 173
ASP A 174
LEU A 216
None
0.99A21.73
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.
4WOZ_B_MN9B401_0
(N-ACETYLNEURAMINATE
LYASE)
2pop MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE
7-INTERACTING
PROTEIN 1
(Homo
sapiens)
4 / 6SER A 322
LEU A 323
ASP A 324
LEU A 369
None
0.94A21.89
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.
4WOZ_B_MN9B401_0
(N-ACETYLNEURAMINATE
LYASE)
3a1j CELL CYCLE
CHECKPOINT PROTEIN
RAD1
(Homo
sapiens)
4 / 6SER C 191
LEU C 190
TYR C 223
LEU C 177
None
0.92A22.22
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.
4WOZ_B_MN9B401_0
(N-ACETYLNEURAMINATE
LYASE)
3l5h INTERLEUKIN-6
RECEPTOR SUBUNIT
BETA
(Homo
sapiens)
4 / 6THR A 544
SER A 558
LEU A 557
LEU A 560
None
1.03A20.34
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.
4WOZ_B_MN9B401_0
(N-ACETYLNEURAMINATE
LYASE)
3sag EXOSOME COMPONENT 10
(Homo
sapiens)
4 / 6SER A 293
LEU A 294
ASP A 295
LEU A 345
SER  A 293 ( 0.0A)
LEU  A 294 ( 0.6A)
ASP  A 295 ( 0.6A)
LEU  A 345 ( 0.6A)
0.86A21.20
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.
4WOZ_B_MN9B401_0
(N-ACETYLNEURAMINATE
LYASE)
3tdu DCN1-LIKE PROTEIN 1
(Homo
sapiens)
4 / 6SER A  99
ASP A  96
TYR A 181
LEU A 184
None
1.04A21.52
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.
4WOZ_B_MN9B401_0
(N-ACETYLNEURAMINATE
LYASE)
4ayz HEME-BINDING PROTEIN
2
(Homo
sapiens)
4 / 6SER A 108
LEU A 109
TYR A  72
LEU A  69
None
1.02A21.85
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.
4WOZ_B_MN9B401_0
(N-ACETYLNEURAMINATE
LYASE)
4b3g DNA-BINDING PROTEIN
SMUBP-2
(Homo
sapiens)
4 / 6SER A 279
LEU A 280
ASP A 281
LEU A 263
None
0.78A18.74
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.
4WOZ_B_MN9B401_0
(N-ACETYLNEURAMINATE
LYASE)
4fgu LEGUMAIN
(Homo
sapiens)
4 / 6THR A 332
LEU A 339
ASP A 340
LEU A 312
None
1.02A19.50
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.
4WOZ_B_MN9B401_0
(N-ACETYLNEURAMINATE
LYASE)
4wzw PUMILIO
DOMAIN-CONTAINING
PROTEIN KIAA0020
(Homo
sapiens)
4 / 6SER A 517
LEU A 446
ASP A 513
LEU A 483
None
0.98A22.81
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.
4WOZ_B_MN9B401_0
(N-ACETYLNEURAMINATE
LYASE)
5nzz TGF-BETA-ACTIVATED
KINASE 1 AND
MAP3K7-BINDING
PROTEIN 1
(Homo
sapiens)
4 / 6SER A 322
LEU A 323
ASP A 324
LEU A 369
None
0.82Aundetectable
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.
4WOZ_B_MN9B401_0
(N-ACETYLNEURAMINATE
LYASE)
5tja MUCOLIPIN-1
(Homo
sapiens)
4 / 6SER A 274
LEU A 275
TYR A 109
LEU A 106
None
0.95A18.91
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.
4WOZ_B_MN9B401_0
(N-ACETYLNEURAMINATE
LYASE)
5vbb RNA PSEUDOURIDYLATE
SYNTHASE
DOMAIN-CONTAINING
PROTEIN 1
(Homo
sapiens)
4 / 6SER A 246
LEU A 247
ASP A 248
LEU A 151
None
0.71A21.10
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.
4WOZ_F_MN9F401_0
(N-ACETYLNEURAMINATE
LYASE)
1suv TRANSFERRIN RECEPTOR
PROTEIN 1
(Homo
sapiens)
4 / 5LEU A 625
ASP A 624
TYR A 643
LEU A 642
None
1.23A17.03
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.
4WOZ_F_MN9F401_0
(N-ACETYLNEURAMINATE
LYASE)
1v40 GLUTATHIONE-REQUIRIN
G PROSTAGLANDIN D
SYNTHASE
(Homo
sapiens)
4 / 5LEU A 135
ASP A 132
LEU A 141
THR A 176
None
1.27A21.07
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.
4WOZ_F_MN9F401_0
(N-ACETYLNEURAMINATE
LYASE)
2yuq TYROSINE-PROTEIN
KINASE ITK/TSK
(Homo
sapiens)
4 / 5LEU A  36
TYR A  28
LEU A  38
THR A  30
None
1.27A14.39
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.
4WOZ_F_MN9F401_0
(N-ACETYLNEURAMINATE
LYASE)
3a62 RIBOSOMAL PROTEIN S6
KINASE BETA-1
(Homo
sapiens)
4 / 5LEU A 282
ASP A 285
TYR A 198
LEU A 199
None
1.18A22.04
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.
4WOZ_F_MN9F401_0
(N-ACETYLNEURAMINATE
LYASE)
3nvq SEMAPHORIN-7A
(Homo
sapiens)
4 / 5LEU A 490
ASP A 491
TYR A 478
LEU A 477
None
1.22A19.90
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.
4WOZ_F_MN9F401_0
(N-ACETYLNEURAMINATE
LYASE)
3vzb SPHINGOSINE KINASE 1
(Homo
sapiens)
4 / 5LEU A 116
ASP A  81
TYR A 123
LEU A 120
None
None
EDO  A 408 (-4.8A)
EDO  A 403 (-4.5A)
1.27A21.64
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.
4WOZ_F_MN9F401_0
(N-ACETYLNEURAMINATE
LYASE)
3w18 AURORA KINASE A
(Homo
sapiens)
4 / 5LEU A 130
ASP A 202
TYR A 148
LEU A 161
None
1.20A20.87
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.
4WOZ_F_MN9F401_0
(N-ACETYLNEURAMINATE
LYASE)
3zbf PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ROS
(Homo
sapiens)
4 / 5LEU A2059
ASP A2062
TYR A2037
LEU A2034
None
1.25A22.19
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.
4WOZ_F_MN9F401_0
(N-ACETYLNEURAMINATE
LYASE)
4fgu LEGUMAIN
(Homo
sapiens)
4 / 5LEU A 339
ASP A 340
LEU A 312
THR A 332
None
1.03A19.50
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.
4WOZ_F_MN9F401_0
(N-ACETYLNEURAMINATE
LYASE)
4hsu LYSINE-SPECIFIC
HISTONE DEMETHYLASE
1B
PUTATIVE
OXIDOREDUCTASE GLYR1
(Homo
sapiens;
Homo
sapiens)
4 / 5LEU B 221
TYR A 809
LEU A 810
THR A 364
None
1.26A16.45
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.
4WOZ_F_MN9F401_0
(N-ACETYLNEURAMINATE
LYASE)
4pd3 NONMUSCLE MYOSIN
HEAVY CHAIN B,
ALPHA-ACTININ A
CHIMERA PROTEIN
(Homo
sapiens;
Dictyostelium
discoideum)
4 / 5LEU A 354
TYR A 285
LEU A 288
THR A 280
None
1.11A15.87
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.
4WOZ_F_MN9F401_0
(N-ACETYLNEURAMINATE
LYASE)
5mio KINESIN-LIKE PROTEIN
KIF2C,KIF2C FUSED TO
A DARPIN,KIF2C FUSED
TO A DARPIN
(Homo
sapiens)
4 / 5LEU C 657
ASP C 686
LEU C 628
THR C 665
None
1.19A18.36