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.
1GHM_A_CEDA1_1
(BETA-LACTAMASE)
4o7d GLUTAMINASE KIDNEY
ISOFORM,
MITOCHONDRIAL
(Homo
sapiens)
6 / 12SER A 286
LYS A 289
ASN A 335
LYS A 481
SER A 482
GLY A 483
ONL  A 601 (-1.4A)
ONL  A 601 ( 4.0A)
ONL  A 601 (-3.5A)
ONL  A 601 ( 4.8A)
None
ONL  A 601 (-3.5A)
0.57A24.33
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.
1GHM_A_CEDA1_1
(BETA-LACTAMASE)
5d3o GLUTAMINASE KIDNEY
ISOFORM,
MITOCHONDRIAL
(Homo
sapiens)
6 / 12SER A 291
LYS A 294
ASN A 340
LYS A 486
SER A 487
GLY A 488
None
0.42A20.80