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.
3GWW_A_SFXA801_1
(TRANSPORTER)
1z6t APOPTOTIC PROTEASE
ACTIVATING FACTOR 1
(Homo
sapiens)
5 / 12GLY A 159
LEU A 163
ILE A 152
ALA A 165
ASP A 243
ADP  A 900 (-3.2A)
None
None
None
ADP  A 900 ( 4.7A)
1.00A19.30
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.
3GWW_A_SFXA801_1
(TRANSPORTER)
3kmu INTEGRIN-LINKED
KINASE
(Homo
sapiens)
5 / 12TYR A 274
ILE A 327
PHE A 287
ALA A 294
PHE A 297
None
0.99A19.57
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.
3GWW_A_SFXA801_1
(TRANSPORTER)
3mop MYELOID
DIFFERENTIATION
PRIMARY RESPONSE
PROTEIN MYD88
(Homo
sapiens)
5 / 12LEU A  75
GLY A  72
LEU A  74
GLN A  67
PHE A  56
None
1.05A12.52
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.
3GWW_A_SFXA801_1
(TRANSPORTER)
3wsy SORTILIN-RELATED
RECEPTOR
(Homo
sapiens)
5 / 12LEU A 209
LEU A 219
TYR A 168
ILE A 178
PHE A 237
None
0.94A22.34
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.
3GWW_A_SFXA801_1
(TRANSPORTER)
4qmg STAPHYLOCOCCAL
NUCLEASE
DOMAIN-CONTAINING
PROTEIN 1
(Homo
sapiens)
5 / 12LEU A 223
GLY A 275
ILE A 226
ALA A 308
ASP A 298
None
1.11A20.95
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.
3GWW_A_SFXA801_1
(TRANSPORTER)
4zaj ARGININE--TRNA
LIGASE, CYTOPLASMIC
(Homo
sapiens)
5 / 12LEU A 394
GLY A 395
TYR A 428
ILE A 431
PHE A 446
None
1.11A21.26
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.
3GWW_A_SFXA801_1
(TRANSPORTER)
5k5t EXTRACELLULAR
CALCIUM-SENSING
RECEPTOR
(Homo
sapiens)
5 / 12GLY A  35
LEU A  34
ARG A  96
GLN A  27
ILE A 139
None
1.00A20.92