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.
1M4D_A_TOYA500_1
(AMINOGLYCOSIDE
2'-N-ACETYLTRANSFERA
SE)		1elv COMPLEMENT C1S
COMPONENT
(Homo
sapiens)		5 / 10PHE A 511
ASP A 514
SER A 612
SER A 617
ALA A 445
None
None
None
SO4  A2001 ( 2.7A)
None
1.50A19.22
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.
1M4D_A_TOYA500_1
(AMINOGLYCOSIDE
2'-N-ACETYLTRANSFERA
SE)		4cak INTEGRIN ALPHA-IIB
(Homo
sapiens)		5 / 10ASP A 589
ASP A 367
SER A 396
ALA A 650
ASP A 373
None
1.46A11.54
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.
1M4D_A_TOYA500_1
(AMINOGLYCOSIDE
2'-N-ACETYLTRANSFERA
SE)		5a31 ANAPHASE-PROMOTING
COMPLEX SUBUNIT 1
(Homo
sapiens)		5 / 10PHE A1403
ASP A1361
GLU A1292
SER A1295
ALA A1370
None
1.45A8.11
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.
1M4D_A_TOYA500_1
(AMINOGLYCOSIDE
2'-N-ACETYLTRANSFERA
SE)		5erd DESMOGLEIN-2
(Homo
sapiens)		5 / 10ASP A 215
SER A 123
ALA A 124
THR A 177
ASP A 218
 CA  A 619 (-3.3A)
None
None
None
CA  A 620 ( 2.4A)
1.45A14.18
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.
1M4D_A_TOYA500_1
(AMINOGLYCOSIDE
2'-N-ACETYLTRANSFERA
SE)		5j5j DESMOCOLLIN-2,DESMOG
LEIN-2
(Homo
sapiens)		5 / 10ASP A 213
SER A 121
ALA A 122
THR A 175
ASP A 216
 CA  A 626 (-3.2A)
None
None
None
CA  A 626 ( 2.9A)
1.38A14.73
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.
1M4D_A_TOYA500_1
(AMINOGLYCOSIDE
2'-N-ACETYLTRANSFERA
SE)		5lcw ANAPHASE-PROMOTING
COMPLEX SUBUNIT 1
(Homo
sapiens)		5 / 10PHE A1403
ASP A1361
GLU A1292
SER A1295
ALA A1370
None
1.42A6.17
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.
1M4D_B_TOYB501_1
(AMINOGLYCOSIDE
2'-N-ACETYLTRANSFERA
SE)		4cak INTEGRIN ALPHA-IIB
(Homo
sapiens)		5 / 9ASP A 589
ASP A 367
SER A 396
ALA A 650
ASP A 373
None
1.50A11.54
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.
1M4D_B_TOYB501_1
(AMINOGLYCOSIDE
2'-N-ACETYLTRANSFERA
SE)		4rh7 GREEN FLUORESCENT
PROTEIN/CYTOPLASMIC
DYNEIN 2 HEAVY CHAIN
1
(Homo
sapiens;
synthetic
construct)		5 / 9ASP A2055
SER A1981
ALA A1983
ASP A2098
ASP A2057
 MG  A4404 (-3.5A)
ATP  A4403 (-2.8A)
None
None
None
1.49A4.04
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.
1M4D_B_TOYB501_1
(AMINOGLYCOSIDE
2'-N-ACETYLTRANSFERA
SE)		5deu METHYLCYTOSINE
DIOXYGENASE TET2,
CHIMERIC CONSTRUCT
(Homo
sapiens)		5 / 9ASP A1384
SER A1286
SER A1284
ALA A1283
THR A1259
 FE  A2003 ( 2.4A)
None
None
None
None
1.41A16.38
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.
1M4D_B_TOYB501_1
(AMINOGLYCOSIDE
2'-N-ACETYLTRANSFERA
SE)		5erd DESMOGLEIN-2
(Homo
sapiens)		5 / 9ASP A 215
SER A 123
ALA A 124
THR A 177
ASP A 218
 CA  A 619 (-3.3A)
None
None
None
CA  A 620 ( 2.4A)
1.39A14.18
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.
1M4D_B_TOYB501_1
(AMINOGLYCOSIDE
2'-N-ACETYLTRANSFERA
SE)		5j5j DESMOCOLLIN-2,DESMOG
LEIN-2
(Homo
sapiens)		5 / 9ASP A 213
SER A 121
ALA A 122
THR A 175
ASP A 216
 CA  A 626 (-3.2A)
None
None
None
CA  A 626 ( 2.9A)
1.34A14.73
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.
3SG8_A_TOYA305_1
(APH(2'')-ID)		4zg7 ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 2
(Homo
sapiens)		5 / 12ASN A 231
ASP A 312
ASP A 474
HIS A 316
ASP A 172
NKN  A 909 ( 3.2A)
ZN  A 903 ( 2.0A)
None
ZN  A 903 ( 3.2A)
ZN  A 904 ( 2.2A)
1.37A16.79
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.
4EBK_A_TOYA301_1
(AMINOGLYCOSIDE
NUCLEOTIDYLTRANSFERA
SE)		1s1d APYRASE
(Homo
sapiens)		5 / 9GLU A 243
GLU A 295
GLU A 326
ASP A 112
GLU A 239
None
None
GP2  A4001 ( 2.4A)
GP2  A4001 (-4.2A)
None
1.40A23.16
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.
4EBK_B_TOYB302_1
(AMINOGLYCOSIDE
NUCLEOTIDYLTRANSFERA
SE)		3cem GLYCOGEN
PHOSPHORYLASE, LIVER
FORM
(Homo
sapiens)		5 / 9GLU A 572
TYR A 613
ALA A 616
GLU A 382
ASP A 283
None
None
None
None
NBG  A   1 ( 4.5A)
1.46A15.98
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.
4EVY_B_TOYB201_1
(AMINOGLYCOSIDE
N(6')-ACETYLTRANSFER
ASE TYPE 1)		2iik 3-KETOACYL-COA
THIOLASE,
PEROXISOMAL
(Homo
sapiens)		5 / 10ASN A 368
GLU A 347
ASP A 246
GLU A 223
GLY A 384
None
1.35A21.33
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.
4XJE_A_TOYA202_1
(AADB)		1t46 HOMO SAPIENS V-KIT
HARDY-ZUCKERMAN 4
FELINE SARCOMA VIRAL
ONCOGENE HOMOLOG
(Homo
sapiens)		4 / 8ASP A 768
ASP A 765
GLU A 767
ILE A 928
None
1.01A20.63
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.
4XJE_A_TOYA202_1
(AADB)		2fvz INOSITOL
MONOPHOSPHATASE 2
(Homo
sapiens)		4 / 8ASP A 231
ASP A 104
ASP A 101
ILE A  34
None
0.87A21.82
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.
4XJE_A_TOYA202_1
(AADB)		2rhp THROMBOSPONDIN-2
(Homo
sapiens)		4 / 8ASP A1022
ASP A1021
ASP A1023
ILE A 975
 CA  A  15 (-3.1A)
CA  A  13 (-2.4A)
CA  A  15 ( 2.5A)
None
0.99A13.64
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.
4XJE_A_TOYA202_1
(AADB)		3fby CARTILAGE OLIGOMERIC
MATRIX PROTEIN
(Homo
sapiens)		4 / 8ASP A 594
ASP A 593
ASP A 595
ILE A 547
 CA  A 829 (-3.5A)
CA  A 827 (-2.4A)
CA  A 829 ( 2.4A)
None
0.97A15.48
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.
4XJE_A_TOYA202_1
(AADB)		3lgg ADENOSINE DEAMINASE
CECR1
(Homo
sapiens)		4 / 8ASP A 416
ASP A 415
GLU A 380
ASP A 297
CFE  A 513 (-2.8A)
CFE  A 513 ( 2.8A)
None
None
1.04A16.17
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.
4XJE_A_TOYA202_1
(AADB)		4zyo ACYL-COA DESATURASE
(Homo
sapiens)		4 / 8ASP A 325
ILE A 344
ASP A 307
TYR A 306
None
0.94A19.81
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.
4XJE_A_TOYA202_1
(AADB)		5kca CEREBELLIN-1,CEREBEL
LIN-1,CEREBELLIN-1,G
LUTAMATE RECEPTOR
IONOTROPIC, DELTA-2
(Homo
sapiens)		4 / 8ASP A 145
GLU A 547
ILE A 512
TYR A 324
None
1.03A11.96
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.
4XJE_A_TOYA202_1
(AADB)		6b67 PROTEIN PHOSPHATASE
1A
(Homo
sapiens)		4 / 8ASP A  38
ASP A  60
GLU A 146
ASP A 243
None
CA  A 302 ( 2.8A)
CA  A 303 ( 4.9A)
CA  A 303 (-2.5A)
0.88A19.28
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.
5CFS_A_TOYA203_1
(AAD(2''),GENTAMICIN
2''-NUCLEOTIDYLTRANS
FERASE,GENTAMICIN
RESISTANCE PROTEIN)		1zef ALKALINE PHOSPHATASE
(Homo
sapiens)		4 / 8ASP A 357
ASP A  42
ILE A 110
ASP A  91
 ZN  A 902 (-2.3A)
ZN  A 902 ( 2.1A)
None
SEP  A  92 (-3.2A)
0.95A17.01
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.
5CFS_A_TOYA203_1
(AAD(2''),GENTAMICIN
2''-NUCLEOTIDYLTRANS
FERASE,GENTAMICIN
RESISTANCE PROTEIN)		2fvz INOSITOL
MONOPHOSPHATASE 2
(Homo
sapiens)		4 / 8ASP A 231
ASP A 104
ASP A 101
ILE A  34
None
0.83A21.82
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.
5CFS_A_TOYA203_1
(AAD(2''),GENTAMICIN
2''-NUCLEOTIDYLTRANS
FERASE,GENTAMICIN
RESISTANCE PROTEIN)		2j4e INOSINE TRIPHOSPHATE
PYROPHOSPHATASE
(Homo
sapiens)		4 / 8ASP A 148
GLU A  22
ASP A 152
TYR A 164
None
ITT  A1001 ( 4.5A)
ITT  A1001 (-3.0A)
None
0.90A23.61
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.
5CFS_A_TOYA203_1
(AAD(2''),GENTAMICIN
2''-NUCLEOTIDYLTRANS
FERASE,GENTAMICIN
RESISTANCE PROTEIN)		2rhp THROMBOSPONDIN-2
(Homo
sapiens)		4 / 8ASP A1022
ASP A1021
ASP A1023
ILE A 975
 CA  A  15 (-3.1A)
CA  A  13 (-2.4A)
CA  A  15 ( 2.5A)
None
1.01A13.64
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.
5CFS_A_TOYA203_1
(AAD(2''),GENTAMICIN
2''-NUCLEOTIDYLTRANS
FERASE,GENTAMICIN
RESISTANCE PROTEIN)		3lgg ADENOSINE DEAMINASE
CECR1
(Homo
sapiens)		4 / 8ASP A 416
ASP A 415
GLU A 380
ASP A 297
CFE  A 513 (-2.8A)
CFE  A 513 ( 2.8A)
None
None
0.93A16.17
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.
5CFS_A_TOYA203_1
(AAD(2''),GENTAMICIN
2''-NUCLEOTIDYLTRANS
FERASE,GENTAMICIN
RESISTANCE PROTEIN)		4zyo ACYL-COA DESATURASE
(Homo
sapiens)		4 / 8ASP A 325
ILE A 344
ASP A 307
TYR A 306
None
0.97A19.81
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.
5CFS_A_TOYA203_1
(AAD(2''),GENTAMICIN
2''-NUCLEOTIDYLTRANS
FERASE,GENTAMICIN
RESISTANCE PROTEIN)		5cni METABOTROPIC
GLUTAMATE RECEPTOR 2
(Homo
sapiens)		4 / 8ASP A 146
ASP A  95
GLU A 100
ASP A  49
None
1.06A15.46
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.
5CFS_A_TOYA203_1
(AAD(2''),GENTAMICIN
2''-NUCLEOTIDYLTRANS
FERASE,GENTAMICIN
RESISTANCE PROTEIN)		5kca CEREBELLIN-1,CEREBEL
LIN-1,CEREBELLIN-1,G
LUTAMATE RECEPTOR
IONOTROPIC, DELTA-2
(Homo
sapiens)		4 / 8ASP A 145
GLU A 547
ILE A 512
TYR A 324
None
0.96A11.96
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.
5CFS_A_TOYA203_1
(AAD(2''),GENTAMICIN
2''-NUCLEOTIDYLTRANS
FERASE,GENTAMICIN
RESISTANCE PROTEIN)		5u2n NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE
(Homo
sapiens)		4 / 8ASP A 256
TYR A 281
GLU A 258
ILE A 290
None
1.05A15.78
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.
5CFS_A_TOYA203_1
(AAD(2''),GENTAMICIN
2''-NUCLEOTIDYLTRANS
FERASE,GENTAMICIN
RESISTANCE PROTEIN)		6b67 PROTEIN PHOSPHATASE
1A
(Homo
sapiens)		4 / 8ASP A  38
ASP A  60
GLU A 146
ASP A 243
None
CA  A 302 ( 2.8A)
CA  A 303 ( 4.9A)
CA  A 303 (-2.5A)
0.84A19.28