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.
5KMD_C_6UBC1304_1
(ION TRANSPORT
PROTEIN)
1cjy PROTEIN (CYTOSOLIC
PHOSPHOLIPASE A2)
(Homo
sapiens)
4 / 5TYR A 275
ILE A 294
LEU A 303
GLY A 300
None
0.93A18.44
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.
5KMD_C_6UBC1304_1
(ION TRANSPORT
PROTEIN)
1jxk ALPHA-AMYLASE,
SALIVARY
(Homo
sapiens)
4 / 5TYR A 444
ILE A 462
GLY A 420
PHE A 421
None
0.93A18.18
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.
5KMD_C_6UBC1304_1
(ION TRANSPORT
PROTEIN)
1w3b UDP-N-ACETYLGLUCOSAM
INE--PEPTIDE
N-ACETYLGLUCOSAMINYL
TRANSFERASE 110
(Homo
sapiens)
4 / 5ILE A 197
LEU A 187
GLY A 188
PHE A 191
None
0.70A21.32
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.
5KMD_C_6UBC1304_1
(ION TRANSPORT
PROTEIN)
2ctr DNAJ HOMOLOG
SUBFAMILY B MEMBER 9
(Homo
sapiens)
4 / 5TYR A  10
LEU A  71
GLY A  72
PHE A  76
None
0.90A13.50
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.
5KMD_C_6UBC1304_1
(ION TRANSPORT
PROTEIN)
2cy7 CYSTEINE PROTEASE
APG4B
(Homo
sapiens)
4 / 5TYR A 265
ILE A 256
LEU A  87
PHE A  83
None
0.81A19.95
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.
5KMD_C_6UBC1304_1
(ION TRANSPORT
PROTEIN)
2nz2 ARGININOSUCCINATE
SYNTHASE
(Homo
sapiens)
4 / 5TYR A 282
ILE A 266
LEU A  93
GLY A  90
None
0.72A21.36
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.
5KMD_C_6UBC1304_1
(ION TRANSPORT
PROTEIN)
2xwb COMPLEMENT C3B
ALPHA' CHAIN
(Homo
sapiens)
4 / 5TYR B1523
ILE B1547
LEU B1585
GLY B1584
None
0.95A14.67
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.
5KMD_C_6UBC1304_1
(ION TRANSPORT
PROTEIN)
3hfw PROTEIN
ADP-RIBOSYLARGININE
HYDROLASE
(Homo
sapiens)
4 / 5ILE A 277
LEU A  17
GLY A  18
PHE A 297
None
0.87A20.38
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.
5KMD_C_6UBC1304_1
(ION TRANSPORT
PROTEIN)
3l4g PHENYLALANYL-TRNA
SYNTHETASE BETA
CHAIN
(Homo
sapiens)
4 / 5TYR B 374
LEU B  33
GLY B  32
PHE B  31
None
0.89A18.84
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.
5KMD_C_6UBC1304_1
(ION TRANSPORT
PROTEIN)
4bb9 GLUCOKINASE
REGULATORY PROTEIN
(Homo
sapiens)
5 / 5TYR A 468
ILE A 285
LEU A 464
GLY A 470
PHE A 466
None
1.23A17.98
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.
5KMD_C_6UBC1304_1
(ION TRANSPORT
PROTEIN)
5tcx CD81 ANTIGEN
(Homo
sapiens)
4 / 5ILE A 100
LEU A  91
GLY A  92
PHE A  94
None
None
YCM  A  89 ( 3.3A)
None
0.92A20.69
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.
5KMD_C_6UBC1304_1
(ION TRANSPORT
PROTEIN)
6cde PGT122 HEAVY CHAIN
(Homo
sapiens)
4 / 5TYR M  93
ILE M  92
LEU M  11
GLY M  10
None
0.90A13.07