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.
6D6T_D_FYPD406_0
(GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1
HUMAN GABA-A
RECEPTOR SUBUNIT
GAMMA-2)		1wxm A-RAF PROTO-ONCOGENE
SERINE/THREONINE-PRO
TEIN KINASE
(Homo
sapiens)		5 / 11SER A  29
ASP A  64
TYR A  31
ALA A  62
THR A  61
None
1.28A12.04
15.00
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.
6D6T_D_FYPD406_0
(GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1
HUMAN GABA-A
RECEPTOR SUBUNIT
GAMMA-2)		6d6t HUMAN GABA-A
RECEPTOR SUBUNIT
GAMMA-2
(Homo
sapiens)		5 / 11ASP E  56
TYR E  58
PHE E  77
ALA E  79
THR E 142
None
0.00Aundetectable
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.
6D6T_D_FYPD406_0
(GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1
HUMAN GABA-A
RECEPTOR SUBUNIT
GAMMA-2)		6d6u GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1
(Homo
sapiens)		5 / 11HIS B 102
TYR B 160
SER B 206
THR B 207
TYR B 210
None
0.66Aundetectable
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.
6D6T_D_FYPD406_0
(GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1
HUMAN GABA-A
RECEPTOR SUBUNIT
GAMMA-2)		6d6u GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
GAMMA-2,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT GAMMA-2
(Homo
sapiens)		5 / 11ASP E  56
TYR E  58
PHE E  77
ALA E  79
THR E 142
None
0.31Aundetectable
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.
6D6T_D_FYPD406_0
(GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1
HUMAN GABA-A
RECEPTOR SUBUNIT
GAMMA-2)		6d6u GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
BETA-2,GAMMA-AMINOBU
TYRIC ACID RECEPTOR
SUBUNIT BETA-2
GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1
(Homo
sapiens;
Homo
sapiens)		7 / 11TYR A 157
SER A 201
THR A 202
TYR A 205
ASP B  44
PHE B  65
THR B 130
ABU  A 405 (-4.4A)
None
ABU  A 405 (-3.1A)
ABU  A 405 (-3.0A)
None
ABU  A 405 (-4.6A)
ABU  A 405 (-3.1A)
0.67Aundetectable
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.
6D6U_D_FYPD410_0
(GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1
GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
GAMMA-2,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT GAMMA-2)		1wxm A-RAF PROTO-ONCOGENE
SERINE/THREONINE-PRO
TEIN KINASE
(Homo
sapiens)		5 / 9SER A  29
ASP A  64
TYR A  31
ALA A  62
THR A  61
None
1.28A12.04
12.71
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.
6D6U_D_FYPD410_0
(GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1
GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
GAMMA-2,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT GAMMA-2)		6d6u GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
BETA-2,GAMMA-AMINOBU
TYRIC ACID RECEPTOR
SUBUNIT BETA-2
GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1
(Homo
sapiens;
Homo
sapiens)		5 / 9TYR A 157
SER A 201
TYR A 205
ASP B  44
THR B 130
ABU  A 405 (-4.4A)
None
ABU  A 405 (-3.0A)
None
ABU  A 405 (-3.1A)
0.81Aundetectable