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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3GKZ_A_B40A500_1
(ANTI-METHAMPHETAMINE
SINGLE CHAIN FV)
3go1 FAB 268-D, HEAVY
CHAIN
FAB 268-D, LIGHT
CHAIN
(Homo
sapiens)
5 / 11TYR H  33
TYR H  47
TYR H  50
TYR L  34
TYR L  36
None
0.83A39.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3GKZ_A_B40A500_1
(ANTI-METHAMPHETAMINE
SINGLE CHAIN FV)
4jy4 PGT121 HEAVY CHAIN
PGT121 LIGHT CHAIN
(Homo
sapiens)
5 / 11TYR B  33
SER B  35
TYR B  50
TYR A  36
HIS A  89
None
1.14A35.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3GKZ_A_B40A500_1
(ANTI-METHAMPHETAMINE
SINGLE CHAIN FV)
4jy6 PGT123 HEAVY CHAIN
PGT123 LIGHT CHAIN
(Homo
sapiens)
5 / 11TYR B  33
SER B  35
TYR B  50
TYR A  36
HIS A  89
None
1.16A33.94
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.
4GQP_H_B40H1201_1
(ANTI-METH SCFV)
1mm3 MI2-BETA(CHROMODOMAI
N
HELICASE-DNA-BINDING
PROTEIN 4) AND
TRANSCRIPTION FACTOR
WSTF
(Homo
sapiens)
5 / 11SER A  30
TYR A  31
PHE A  11
GLU A  10
HIS A   8
None
1.48A10.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4GQP_H_B40H1201_1
(ANTI-METH SCFV)
3go1 FAB 268-D, HEAVY
CHAIN
FAB 268-D, LIGHT
CHAIN
(Homo
sapiens)
5 / 11TYR H  33
TYR H  47
TYR H  50
TYR L  34
TYR L  36
None
0.83A39.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4GQP_H_B40H1201_1
(ANTI-METH SCFV)
4jy6 PGT123 HEAVY CHAIN
PGT123 LIGHT CHAIN
(Homo
sapiens)
5 / 11TYR B  33
SER B  35
TYR B  50
TYR A  36
HIS A  89
None
1.18A35.32
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.
4XP6_A_B40A601_1
(TRANSPORTER)
1ck7 PROTEIN (GELATINASE
A)
(Homo
sapiens)
4 / 5ASP A 564
VAL A 568
ASP A 569
GLY A 585
None
1.18A21.15
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.
4XP6_A_B40A601_1
(TRANSPORTER)
1tuz DIACYLGLYCEROL
KINASE ALPHA
(Homo
sapiens)
4 / 5ASP A  98
VAL A  93
ASP A  92
GLY A  81
None
1.18A11.35
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.
4XP6_A_B40A601_1
(TRANSPORTER)
4h1s 5'-NUCLEOTIDASE
(Homo
sapiens)
4 / 5ASP A 121
ASP A 524
PHE A 500
GLY A 419
None
1.21A22.41