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.
4M48_A_21BA704_1
(TRANSPORTER)
1l6j MATRIX
METALLOPROTEINASE-9
(Homo
sapiens)
4 / 8PHE A 425
VAL A 217
SER A 394
ALA A 229
None
0.91A21.75
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.
4M48_A_21BA704_1
(TRANSPORTER)
1ryo SEROTRANSFERRIN
(Homo
sapiens)
4 / 8PHE A 153
VAL A 202
ASP A 201
ALA A  99
None
0.88A19.89
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.
4M48_A_21BA704_1
(TRANSPORTER)
1suv SEROTRANSFERRIN,
C-LOBE
(Homo
sapiens)
4 / 8PHE E 478
VAL E 527
ASP E 526
ALA E 429
None
0.89A19.93
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.
4M48_A_21BA704_1
(TRANSPORTER)
2ayn UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 14
(Homo
sapiens)
5 / 8ASP A 198
TYR A 435
SER A 430
GLY A 427
ALA A 474
None
1.18A20.62
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.
4M48_A_21BA704_1
(TRANSPORTER)
2d88 PROTEIN MICAL-3
(Homo
sapiens)
4 / 8VAL A  30
SER A  12
GLY A  16
ALA A  42
None
0.89A12.79
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.
4M48_A_21BA704_1
(TRANSPORTER)
2hau SEROTRANSFERRIN
(Homo
sapiens)
4 / 8PHE A 153
VAL A 202
ASP A 201
ALA A  99
None
0.83A20.82
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.
4M48_A_21BA704_1
(TRANSPORTER)
2pvc DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 3-LIKE
(Homo
sapiens)
4 / 8PHE B 196
VAL B 241
GLY B 243
ALA B 270
None
0.91A21.18
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.
4M48_A_21BA704_1
(TRANSPORTER)
2wns OROTATE
PHOSPHORIBOSYLTRANSF
ERASE
(Homo
sapiens)
4 / 8ASP A 154
SER A 128
GLY A 159
ALA A 149
None
OMP  A 450 (-2.5A)
None
None
0.81A16.79