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.
1M4G_A_RIOA500_0
(AMINOGLYCOSIDE
2'-N-ACETYLTRANSFERA
SE)		4fys AMINOPEPTIDASE N
(Homo
sapiens)		5 / 9GLU A 618
GLY A 616
SER A 613
SER A 557
ASP A 610
None
1.36A12.05
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.
1M4G_A_RIOA500_0
(AMINOGLYCOSIDE
2'-N-ACETYLTRANSFERA
SE)		5xjy ATP-BINDING CASSETTE
SUB-FAMILY A MEMBER
1
(Homo
sapiens)		5 / 9ASP A 571
GLU A1529
GLY A1598
ASP A 629
ASP A 575
None
1.47A6.18
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.
1M4G_B_RIOB501_0
(AMINOGLYCOSIDE
2'-N-ACETYLTRANSFERA
SE)		4twe N-ACETYLATED-ALPHA-L
INKED ACIDIC
DIPEPTIDASE-LIKE
PROTEIN
(Homo
sapiens)		5 / 9ASP A 512
GLY A 254
SER A 346
ASP A  76
ASP A 370
None
1.38A14.53
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.
1M4G_B_RIOB501_0
(AMINOGLYCOSIDE
2'-N-ACETYLTRANSFERA
SE)		4uf4 CARBOXYPEPTIDASE A1
(Homo
sapiens)		5 / 9ASP A  44
GLU A  46
SER A 272
SER A 268
THR A 274
None
1.00A19.56
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.
1M4G_B_RIOB501_0
(AMINOGLYCOSIDE
2'-N-ACETYLTRANSFERA
SE)		5xjy ATP-BINDING CASSETTE
SUB-FAMILY A MEMBER
1
(Homo
sapiens)		5 / 9ASP A 571
GLU A1529
GLY A1598
ASP A 629
ASP A 575
None
1.44A6.18
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.
1S3Z_B_RIOB501_0
(AMINOGLYCOSIDE
6'-N-ACETYLTRANSFERA
SE)		2cw6 HYDROXYMETHYLGLUTARY
L-COA LYASE,
MITOCHONDRIAL
(Homo
sapiens)		4 / 8GLU A  72
VAL A  38
GLU A 199
ASP A 257
None
1.29A19.67
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.
1S3Z_B_RIOB501_0
(AMINOGLYCOSIDE
6'-N-ACETYLTRANSFERA
SE)		2hck HEMATOPOETIC CELL
KINASE HCK
(Homo
sapiens)		4 / 8GLU A 372
ARG A 175
GLU A 159
ASP A 365
None
PTR  A 527 ( 3.3A)
None
None
1.17A15.38
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.
1S3Z_B_RIOB501_0
(AMINOGLYCOSIDE
6'-N-ACETYLTRANSFERA
SE)		2vxo GMP SYNTHASE
[GLUTAMINE-HYDROLYZI
NG]
(Homo
sapiens)		4 / 8VAL A 251
ARG A 600
HIS A 436
GLU A 430
None
SO4  A1695 (-3.6A)
SO4  A1695 (-3.8A)
None
1.11A14.26
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.
1S3Z_B_RIOB501_0
(AMINOGLYCOSIDE
6'-N-ACETYLTRANSFERA
SE)		3ky9 PROTO-ONCOGENE VAV
(Homo
sapiens)		4 / 8VAL A 447
ARG A 417
GLU A 415
ASP A 445
None
1.24A14.02
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.
1S3Z_B_RIOB501_0
(AMINOGLYCOSIDE
6'-N-ACETYLTRANSFERA
SE)		3smt HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD3
(Homo
sapiens)		4 / 8GLU A 181
ARG A  53
GLU A 192
ASP A 183
None
1.27A14.69
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.
1S3Z_B_RIOB501_0
(AMINOGLYCOSIDE
6'-N-ACETYLTRANSFERA
SE)		4d4z DEOXYHYPUSINE
HYDROXYLASE
(Homo
sapiens)		4 / 8TYR A 211
HIS A  56
GLU A 208
ASP A 148
GOL  A 305 ( 3.6A)
FE  A 302 (-3.4A)
GOL  A 305 (-2.6A)
None
1.27A18.67
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.
1S3Z_B_RIOB501_0
(AMINOGLYCOSIDE
6'-N-ACETYLTRANSFERA
SE)		4gv1 RAC-ALPHA
SERINE/THREONINE-PRO
TEIN KINASE
(Homo
sapiens)		4 / 8GLU A 341
VAL A 338
ARG A 241
GLU A 234
None
None
None
GOL  A 505 ( 2.9A)
1.24A18.37
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.
1S3Z_B_RIOB501_0
(AMINOGLYCOSIDE
6'-N-ACETYLTRANSFERA
SE)		4pas GAMMA-AMINOBUTYRIC
ACID TYPE B RECEPTOR
SUBUNIT 1
GAMMA-AMINOBUTYRIC
ACID TYPE B RECEPTOR
SUBUNIT 2
(Homo
sapiens;
Homo
sapiens)		4 / 8GLU A 789
VAL A 792
HIS B 797
ASP B 808
GLU  A 789 ( 0.6A)
VAL  A 792 ( 0.6A)
HIS  B 797 ( 1.0A)
ASP  B 808 ( 0.6A)
1.10A11.04
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.
1S3Z_B_RIOB501_0
(AMINOGLYCOSIDE
6'-N-ACETYLTRANSFERA
SE)		4s0u NKG2-D TYPE II
INTEGRAL MEMBRANE
PROTEIN
RETINOIC ACID EARLY
TRANSCRIPT 1L
PROTEIN
(Homo
sapiens;
Homo
sapiens)		4 / 8TYR A 152
GLU C  96
VAL C  93
ARG C 156
None
1.22A19.05
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.
1S3Z_B_RIOB501_0
(AMINOGLYCOSIDE
6'-N-ACETYLTRANSFERA
SE)		4s0u NKG2-D TYPE II
INTEGRAL MEMBRANE
PROTEIN
RETINOIC ACID EARLY
TRANSCRIPT 1L
PROTEIN
(Homo
sapiens;
Homo
sapiens)		4 / 8TYR A 152
GLU C  96
VAL C  93
ASP C 189
None
1.22A19.05
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.
1S3Z_B_RIOB501_0
(AMINOGLYCOSIDE
6'-N-ACETYLTRANSFERA
SE)		4y05 KINESIN-LIKE PROTEIN
KIF2C
(Homo
sapiens)		4 / 8GLU A 272
ARG A 264
HIS A 356
GLU A 317
None
ADP  A 702 (-3.9A)
ADP  A 702 (-3.5A)
None
1.28A18.31
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.
1S3Z_B_RIOB501_0
(AMINOGLYCOSIDE
6'-N-ACETYLTRANSFERA
SE)		5i2x ADRENOCORTICAL
DYSPLASIA PROTEIN
HOMOLOG
(Homo
sapiens)		4 / 8GLU A 177
VAL A 120
GLU A 170
ASP A 123
None
1.04A21.86
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.
1S3Z_B_RIOB501_0
(AMINOGLYCOSIDE
6'-N-ACETYLTRANSFERA
SE)		5j6s ENDOPLASMIC
RETICULUM
AMINOPEPTIDASE 2
(Homo
sapiens)		4 / 8TYR A 184
ARG A 229
HIS A 230
ASP A 291
None
1.30A10.26
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.
1S3Z_B_RIOB501_0
(AMINOGLYCOSIDE
6'-N-ACETYLTRANSFERA
SE)		5zkq PLATELET-ACTIVATING
FACTOR
RECEPTOR,ENDOLYSIN,E
NDOLYSIN,PLATELET-AC
TIVATING FACTOR
RECEPTOR
(Homo
sapiens;
Escherichia
virus
T4)		4 / 8TYR A  15
VAL A 170
GLU A  12
ASP A 163
None
1.10Aundetectable
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.
1S3Z_B_RIOB501_0
(AMINOGLYCOSIDE
6'-N-ACETYLTRANSFERA
SE)		6bf6 INSULIN-DEGRADING
ENZYME
(Homo
sapiens)		4 / 8TYR A 500
GLU A 494
ARG A 477
HIS A 297
None
1.29Aundetectable
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.
1S3Z_B_RIOB501_0
(AMINOGLYCOSIDE
6'-N-ACETYLTRANSFERA
SE)		6eot DIPEPTIDYL PEPTIDASE
8
(Homo
sapiens)		4 / 8GLU A 863
VAL A 869
ARG A 158
GLU A 153
None
1.17Aundetectable
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.
5IQD_A_RIOA600_0
(BIFUNCTIONAL AAC/APH)		6bck N49P7 FAB HEAVY
CHAIN OF N29P7 IGG
N49P7 FAB LIGHT
CHAIN FROM N49P7 IGG
(Homo
sapiens;
Homo
sapiens)		5 / 11ASP H 144
SER H 120
GLU L 124
SER L 121
GLU L 160
None
1.42Aundetectable
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.
5IQD_B_RIOB600_0
(BIFUNCTIONAL AAC/APH)		6bck N49P7 FAB HEAVY
CHAIN OF N29P7 IGG
N49P7 FAB LIGHT
CHAIN FROM N49P7 IGG
(Homo
sapiens;
Homo
sapiens)		5 / 11ASP H 144
SER H 120
GLU L 124
SER L 121
GLU L 160
None
1.42Aundetectable
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.
5IQD_D_RIOD600_0
(BIFUNCTIONAL AAC/APH)		6bck N49P7 FAB HEAVY
CHAIN OF N29P7 IGG
N49P7 FAB LIGHT
CHAIN FROM N49P7 IGG
(Homo
sapiens;
Homo
sapiens)		5 / 11ASP H 144
SER H 120
GLU L 124
SER L 121
GLU L 160
None
1.47Aundetectable