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.
1VM1_A_TAZA504_1
(BETA-LACTAMASE SHV-1)
1lar PROTEIN (LAR)
(Homo
sapiens)
3 / 3ASP A1667
TYR A1668
GLU A1651
None
0.85A19.27
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.
1VM1_A_TAZA504_1
(BETA-LACTAMASE SHV-1)
2buj SERINE/THREONINE-PRO
TEIN KINASE 16
(Homo
sapiens)
3 / 3ASP A  35
TYR A  33
GLU A  93
None
0.83A22.12
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.
1VM1_A_TAZA504_1
(BETA-LACTAMASE SHV-1)
2e9x DNA REPLICATION
COMPLEX GINS PROTEIN
PSF1
(Homo
sapiens)
3 / 3ASP A  82
TYR A  79
GLU A 110
None
0.85A22.05
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.
1VM1_A_TAZA504_1
(BETA-LACTAMASE SHV-1)
2zqq METHYLGLUTACONYL-COA
HYDRATASE
(Homo
sapiens)
3 / 3ASP A 265
TYR A 268
GLU A 132
None
0.74A23.89
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.
1VM1_A_TAZA504_1
(BETA-LACTAMASE SHV-1)
3tw8 DENN
DOMAIN-CONTAINING
PROTEIN 1B
RAS-RELATED PROTEIN
RAB-35
(Homo
sapiens)
3 / 3ASP B  44
TYR B  37
GLU A  44
None
0.85A21.79
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.
1VM1_A_TAZA504_1
(BETA-LACTAMASE SHV-1)
5dc4 AS25 MONOBODY
(Homo
sapiens)
3 / 3ASP B  32
TYR B  77
GLU B  51
None
0.85A18.07
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.
1VM1_A_TAZA504_1
(BETA-LACTAMASE SHV-1)
5tfm CADHERIN-23
(Homo
sapiens)
3 / 3ASP A 727
TYR A 681
GLU A 607
CA  A 901 (-3.5A)
None
CA  A 902 ( 2.2A)
0.86A15.23