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.
4KOU_A_C04A206_1
(UNCHARACTERIZED
PROTEIN)
2jam CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE TYPE 1G
(Homo
sapiens)
5 / 10PHE A 300
PRO A 147
ASN A 149
PHE A 107
LEU A 213
None
1.44A20.41
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.
4KOU_A_C04A206_1
(UNCHARACTERIZED
PROTEIN)
2l29 INSULIN-LIKE GROWTH
FACTOR 2 RECEPTOR
VARIANT
(Homo
sapiens)
5 / 10TYR A1549
GLY A1564
ASN A1556
PHE A1638
LEU A1636
None
1.32A21.23
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.
4KOU_A_C04A206_1
(UNCHARACTERIZED
PROTEIN)
2l3d LYSINE-SPECIFIC
HISTONE DEMETHYLASE
1A
(Homo
sapiens)
5 / 10PHE A  25
GLY A  31
PHE A  39
ARG A  80
LEU A  77
None
1.40A20.25
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.
4KOU_A_C04A206_1
(UNCHARACTERIZED
PROTEIN)
5fn4 NICASTRIN
(Homo
sapiens)
5 / 10ARG A 117
TYR A  94
GLY A  89
PHE A 210
LEU A 212
None
1.10A12.72
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.
4KOU_A_C04A207_1
(UNCHARACTERIZED
PROTEIN)
2aw0 MENKES
COPPER-TRANSPORTING
ATPASE
(Homo
sapiens)
3 / 3GLY A  43
GLU A   4
THR A   5
None
0.37A18.75
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.
4KOU_A_C04A207_1
(UNCHARACTERIZED
PROTEIN)
2www METHYLMALONIC
ACIDURIA TYPE A
PROTEIN,
MITOCHONDRIAL
(Homo
sapiens)
3 / 3GLY A 150
GLU A 242
THR A 243
None
0.57A18.77
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.
4KOU_A_C04A207_1
(UNCHARACTERIZED
PROTEIN)
2z5d UBIQUITIN-CONJUGATIN
G ENZYME E2 H
(Homo
sapiens)
3 / 3GLY A  67
GLU A 170
THR A 169
None
0.46A18.56
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.
4KOU_A_C04A207_1
(UNCHARACTERIZED
PROTEIN)
3bn3 INTERCELLULAR
ADHESION MOLECULE 5
(Homo
sapiens)
3 / 3GLY B  81
GLU B  63
THR B  64
None
0.55A21.39
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.
4KOU_A_C04A207_1
(UNCHARACTERIZED
PROTEIN)
3ckk TRNA
(GUANINE-N(7)-)-METH
YLTRANSFERASE
(Homo
sapiens)
3 / 3GLY A  56
GLU A 209
THR A 208
SAM  A 301 (-3.5A)
None
SAM  A 301 (-2.8A)
0.57A19.58
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.
4KOU_A_C04A207_1
(UNCHARACTERIZED
PROTEIN)
3ctz XAA-PRO
AMINOPEPTIDASE 1
(Homo
sapiens)
3 / 3GLY A 525
GLU A 523
THR A 487
None
MN  A 624 ( 2.5A)
None
0.47A13.92
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.
4KOU_A_C04A207_1
(UNCHARACTERIZED
PROTEIN)
3iwp COPPER HOMEOSTASIS
PROTEIN CUTC HOMOLOG
(Homo
sapiens)
3 / 3GLY A 113
GLU A 167
THR A 143
None
0.54A19.79
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.
4KOU_A_C04A207_1
(UNCHARACTERIZED
PROTEIN)
3ljb INTERFERON-INDUCED
GTP-BINDING PROTEIN
MX1
(Homo
sapiens)
3 / 3GLY A 397
GLU A 394
THR A 395
None
0.55A17.65
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.
4KOU_A_C04A207_1
(UNCHARACTERIZED
PROTEIN)
3u7u NEUREGULIN 1
RECEPTOR
TYROSINE-PROTEIN
KINASE ERBB-4
(Homo
sapiens)
3 / 3GLY G  44
GLU A   8
THR A   7
None
0.59A15.09
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.
4KOU_A_C04A207_1
(UNCHARACTERIZED
PROTEIN)
4oib INTERCELLULAR
ADHESION MOLECULE 5
(Homo
sapiens)
3 / 3GLY A  81
GLU A  63
THR A  64
None
0.52A19.84