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.
3KP4_A_MIIA2001_1
(TRANSCRIPTIONAL
REGULATOR TCAR)
1gvl KALLIKREIN 6
(Homo
sapiens)
5 / 9ASN A 179
THR A 229
LEU A 212
ALA A  56
HIS A  91
None
1.34A20.54
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.
3KP4_A_MIIA2001_1
(TRANSCRIPTIONAL
REGULATOR TCAR)
3f6u VITAMIN K-DEPENDENT
PROTEIN C HEAVY
CHAIN
(Homo
sapiens)
5 / 9ASN H 179
THR H 229
LEU H 212
ALA H  56
HIS H  91
None
1.30A20.25