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.
4XP9_C_1WEC706_1
(TRANSPORTER)
2d3v LEUKOCYTE
IMMUNOGLOBULIN-LIKE
RECEPTOR SUBFAMILY A
MEMBER 5 ISOFORM 1
(Homo
sapiens)
4 / 4PHE A 130
ASP A 128
GLY A 175
SER A 146
None
1.23A17.42
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.
4XP9_C_1WEC706_1
(TRANSPORTER)
2z65 LYMPHOCYTE ANTIGEN
96
TOLL-LIKE RECEPTOR
4, VARIABLE
LYMPHOCYTE RECEPTOR
B
(Eptatretus
burgeri;
Homo
sapiens)
4 / 4PHE A  63
ASP A  84
GLY C 110
SER A  62
None
1.38A20.77
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.
4XP9_C_1WEC706_1
(TRANSPORTER)
3b2d CD180 ANTIGEN
LYMPHOCYTE ANTIGEN
86
(Homo
sapiens)
4 / 4PHE A  62
ASP A  83
GLY C 117
SER A  61
None
1.36A22.78
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.
4XP9_C_1WEC706_1
(TRANSPORTER)
3lmk METABOTROPIC
GLUTAMATE RECEPTOR 5
(Homo
sapiens)
4 / 4PHE A 277
ASP A 305
GLY A 227
SER A 304
None
GLU  A 506 (-2.7A)
None
None
1.39A22.19
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.
4XP9_C_1WEC706_1
(TRANSPORTER)
4hwe FAB HEAVY CHAIN
(Homo
sapiens)
4 / 4PHE H 106
ASP H 107
GLY H  36
SER H 105
None
1.28A17.46
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.
4XP9_C_1WEC706_1
(TRANSPORTER)
5cni METABOTROPIC
GLUTAMATE RECEPTOR 2
(Homo
sapiens)
4 / 4PHE A 269
ASP A 295
GLY A 220
SER A 294
None
GGL  A 601 (-3.0A)
None
None
1.42A23.16
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.
4XP9_C_1WEC706_1
(TRANSPORTER)
5kzn METABOTROPIC
GLUTAMATE RECEPTOR 2
(Homo
sapiens)
4 / 4PHE A 269
ASP A 295
GLY A 220
SER A 294
None
1.45A22.71
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.
4XP9_C_1WEC706_1
(TRANSPORTER)
6bdz DISINTEGRIN AND
METALLOPROTEINASE
DOMAIN-CONTAINING
PROTEIN 10
(Homo
sapiens)
4 / 4PHE A 432
ASP A 394
GLY A 386
SER A 433
None
1.25A8.90
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.
4XP9_C_1WEC706_1
(TRANSPORTER)
6bsz METABOTROPIC
GLUTAMATE RECEPTOR 8
(Homo
sapiens)
4 / 4PHE A 281
ASP A 309
GLY A 231
SER A 308
None
GGL  A 601 (-2.8A)
None
None
1.24A10.69