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.
5OH3_A_9V2A202_0
(CEREBLON ISOFORM 4)
2d7t ANTI
POLYHYDROXYBUTYRATE
ANTIBODY FV, HEAVY
CHAIN
(Homo
sapiens)
4 / 7ASN H  52
PRO H  53
TRP H  50
TYR H  60
None
1.16A22.76
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.
5OH3_A_9V2A202_0
(CEREBLON ISOFORM 4)
4ot1 SM5-1 FAB HEAVY
CHAIN
(Homo
sapiens)
4 / 7ASN H  52
PRO H  53
TRP H  50
TYR H  60
None
1.20A18.60
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.
5OH3_A_9V2A202_0
(CEREBLON ISOFORM 4)
5hxb PROTEIN CEREBLON
(Homo
sapiens)
5 / 7ASN Z 351
PRO Z 352
TRP Z 380
TRP Z 386
TRP Z 400
85C  Z 502 (-3.6A)
85C  Z 502 (-4.4A)
85C  Z 502 (-3.2A)
85C  Z 502 (-3.4A)
85C  Z 502 (-3.7A)
0.46A16.50
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.
5OH3_B_9V2B202_0
(CEREBLON ISOFORM 4)
2d7t ANTI
POLYHYDROXYBUTYRATE
ANTIBODY FV, HEAVY
CHAIN
(Homo
sapiens)
4 / 7ASN H  52
PRO H  53
TRP H  50
TYR H  60
None
1.21A22.76
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.
5OH3_B_9V2B202_0
(CEREBLON ISOFORM 4)
4ot1 SM5-1 FAB HEAVY
CHAIN
(Homo
sapiens)
4 / 7ASN H  52
PRO H  53
TRP H  50
TYR H  60
None
1.24A18.60
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.
5OH3_B_9V2B202_0
(CEREBLON ISOFORM 4)
5hxb PROTEIN CEREBLON
(Homo
sapiens)
5 / 7ASN Z 351
PRO Z 352
TRP Z 380
TRP Z 386
TRP Z 400
85C  Z 502 (-3.6A)
85C  Z 502 (-4.4A)
85C  Z 502 (-3.2A)
85C  Z 502 (-3.4A)
85C  Z 502 (-3.7A)
0.45A16.50