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.
5YJ1_A_6ELA501_0
(PROTEIN CEREBLON)
5hxb PROTEIN CEREBLON
(Homo
sapiens)
4 / 5TRP Z 380
TRP Z 386
TRP Z 400
PHE Z 402
85C  Z 502 (-3.2A)
85C  Z 502 (-3.4A)
85C  Z 502 (-3.7A)
None
0.50A27.62
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.
5YJ1_B_6ELB501_0
(PROTEIN CEREBLON)
5hxb PROTEIN CEREBLON
(Homo
sapiens)
4 / 5TRP Z 380
TRP Z 386
TRP Z 400
PHE Z 402
85C  Z 502 (-3.2A)
85C  Z 502 (-3.4A)
85C  Z 502 (-3.7A)
None
0.45A27.62
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.
5YJ1_D_6ELD501_0
(PROTEIN CEREBLON)
5hxb PROTEIN CEREBLON
(Homo
sapiens)
4 / 5TRP Z 380
TRP Z 386
TRP Z 400
PHE Z 402
85C  Z 502 (-3.2A)
85C  Z 502 (-3.4A)
85C  Z 502 (-3.7A)
None
0.48A27.62
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.
5YJ1_E_6ELE501_0
(PROTEIN CEREBLON)
5hxb PROTEIN CEREBLON
(Homo
sapiens)
4 / 5TRP Z 380
TRP Z 386
TRP Z 400
PHE Z 402
85C  Z 502 (-3.2A)
85C  Z 502 (-3.4A)
85C  Z 502 (-3.7A)
None
0.42A27.62
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.
5YJ1_G_6ELG501_0
(PROTEIN CEREBLON)
2xyd ANGIOTENSIN-CONVERTI
NG ENZYME
(Homo
sapiens)
4 / 8HIS A 365
TRP A 335
HIS A 491
THR A 496
ZN  A1620 ( 3.2A)
PEG  A1622 ( 4.0A)
3ES  A1611 (-3.9A)
3ES  A1611 (-3.4A)
1.45A10.03
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.
5YJ1_G_6ELG501_0
(PROTEIN CEREBLON)
4f0x MALONYL-COA
DECARBOXYLASE,
MITOCHONDRIAL
(Homo
sapiens)
4 / 8TRP A 189
PHE A 194
HIS A 143
THR A  60
None
1.25A12.85
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.
5YJ1_G_6ELG501_0
(PROTEIN CEREBLON)
5dgo CELL DIVISION
CONTROL PROTEIN 45
HOMOLOG
(Homo
sapiens)
4 / 8HIS A 541
TRP A  55
HIS A 194
THR A 100
None
1.28A12.23
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.
5YJ1_G_6ELG501_0
(PROTEIN CEREBLON)
5hxb PROTEIN CEREBLON
(Homo
sapiens)
4 / 8TRP Z 380
TRP Z 386
TRP Z 400
PHE Z 402
85C  Z 502 (-3.2A)
85C  Z 502 (-3.4A)
85C  Z 502 (-3.7A)
None
0.48A27.62
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.
5YJ1_G_6ELG501_0
(PROTEIN CEREBLON)
5hxb PROTEIN CEREBLON
(Homo
sapiens)
4 / 8TRP Z 386
TRP Z 400
PHE Z 402
HIS Z 353
85C  Z 502 (-3.4A)
85C  Z 502 (-3.7A)
None
85C  Z 502 (-3.9A)
1.23A27.62
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.
5YJ1_H_6ELH501_0
(PROTEIN CEREBLON)
5hxb PROTEIN CEREBLON
(Homo
sapiens)
4 / 5TRP Z 380
TRP Z 386
TRP Z 400
PHE Z 402
85C  Z 502 (-3.2A)
85C  Z 502 (-3.4A)
85C  Z 502 (-3.7A)
None
0.43A27.62
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.
5YJ1_J_6ELJ501_0
(PROTEIN CEREBLON)
5hxb PROTEIN CEREBLON
(Homo
sapiens)
4 / 5TRP Z 380
TRP Z 386
TRP Z 400
PHE Z 402
85C  Z 502 (-3.2A)
85C  Z 502 (-3.4A)
85C  Z 502 (-3.7A)
None
0.41A27.62
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.
5YJ1_K_6ELK501_0
(PROTEIN CEREBLON)
2is7 ALDOSE REDUCTASE
(Homo
sapiens)
4 / 7HIS A 306
TRP A  79
PHE A 122
THR A 140
None
None
2CL  A 317 ( 4.9A)
None
1.47A15.11
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.
5YJ1_K_6ELK501_0
(PROTEIN CEREBLON)
4yo2 TRANSCRIPTION FACTOR
E2F8
(Homo
sapiens)
4 / 7HIS A 181
TRP A 180
PHE A 125
THR A 189
None
1.48A17.81
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.
5YJ1_K_6ELK501_0
(PROTEIN CEREBLON)
5hxb PROTEIN CEREBLON
(Homo
sapiens)
4 / 7TRP Z 380
TRP Z 386
TRP Z 400
PHE Z 402
85C  Z 502 (-3.2A)
85C  Z 502 (-3.4A)
85C  Z 502 (-3.7A)
None
0.43A27.62
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.
5YJ1_M_6ELM501_0
(PROTEIN CEREBLON)
5hxb PROTEIN CEREBLON
(Homo
sapiens)
4 / 5TRP Z 380
TRP Z 386
TRP Z 400
PHE Z 402
85C  Z 502 (-3.2A)
85C  Z 502 (-3.4A)
85C  Z 502 (-3.7A)
None
0.43A27.62
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.
5YJ1_N_6ELN501_0
(PROTEIN CEREBLON)
5hxb PROTEIN CEREBLON
(Homo
sapiens)
4 / 5TRP Z 380
TRP Z 386
TRP Z 400
PHE Z 402
85C  Z 502 (-3.2A)
85C  Z 502 (-3.4A)
85C  Z 502 (-3.7A)
None
0.41A27.62
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.
5YJ1_P_6ELP501_0
(PROTEIN CEREBLON)
5hxb PROTEIN CEREBLON
(Homo
sapiens)
4 / 5TRP Z 380
TRP Z 386
TRP Z 400
PHE Z 402
85C  Z 502 (-3.2A)
85C  Z 502 (-3.4A)
85C  Z 502 (-3.7A)
None
0.44A27.62
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.
5YJ1_Q_6ELQ501_0
(PROTEIN CEREBLON)
5hxb PROTEIN CEREBLON
(Homo
sapiens)
4 / 5TRP Z 380
TRP Z 386
TRP Z 400
PHE Z 402
85C  Z 502 (-3.2A)
85C  Z 502 (-3.4A)
85C  Z 502 (-3.7A)
None
0.44A27.62
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.
5YJ1_S_6ELS501_0
(PROTEIN CEREBLON)
5hxb PROTEIN CEREBLON
(Homo
sapiens)
4 / 5TRP Z 380
TRP Z 386
TRP Z 400
PHE Z 402
85C  Z 502 (-3.2A)
85C  Z 502 (-3.4A)
85C  Z 502 (-3.7A)
None
0.42A27.62
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.
5YJ1_T_6ELT501_0
(PROTEIN CEREBLON)
2xyd ANGIOTENSIN-CONVERTI
NG ENZYME
(Homo
sapiens)
4 / 8HIS A 491
THR A 496
HIS A 365
TRP A 335
3ES  A1611 (-3.9A)
3ES  A1611 (-3.4A)
ZN  A1620 ( 3.2A)
PEG  A1622 ( 4.0A)
1.39A10.03
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.
5YJ1_T_6ELT501_0
(PROTEIN CEREBLON)
5hxb PROTEIN CEREBLON
(Homo
sapiens)
4 / 8HIS Z 353
TRP Z 386
TRP Z 400
PHE Z 402
85C  Z 502 (-3.9A)
85C  Z 502 (-3.4A)
85C  Z 502 (-3.7A)
None
1.25A27.62
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.
5YJ1_T_6ELT501_0
(PROTEIN CEREBLON)
5hxb PROTEIN CEREBLON
(Homo
sapiens)
4 / 8TRP Z 380
TRP Z 386
TRP Z 400
PHE Z 402
85C  Z 502 (-3.2A)
85C  Z 502 (-3.4A)
85C  Z 502 (-3.7A)
None
0.51A27.62
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.
5YJ1_V_6ELV501_0
(PROTEIN CEREBLON)
5hxb PROTEIN CEREBLON
(Homo
sapiens)
4 / 5TRP Z 380
TRP Z 386
TRP Z 400
PHE Z 402
85C  Z 502 (-3.2A)
85C  Z 502 (-3.4A)
85C  Z 502 (-3.7A)
None
0.39A27.62
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.
5YJ1_Y_6ELY501_0
(PROTEIN CEREBLON)
2is7 ALDOSE REDUCTASE
(Homo
sapiens)
4 / 7THR A 140
HIS A 306
TRP A  79
PHE A 122
None
None
None
2CL  A 317 ( 4.9A)
1.48A15.11
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.
5YJ1_Y_6ELY501_0
(PROTEIN CEREBLON)
4yo2 TRANSCRIPTION FACTOR
E2F8
(Homo
sapiens)
4 / 7THR A 189
HIS A 181
TRP A 180
PHE A 125
None
1.49A17.81
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.
5YJ1_Y_6ELY501_0
(PROTEIN CEREBLON)
5hxb PROTEIN CEREBLON
(Homo
sapiens)
4 / 7TRP Z 380
TRP Z 386
TRP Z 400
PHE Z 402
85C  Z 502 (-3.2A)
85C  Z 502 (-3.4A)
85C  Z 502 (-3.7A)
None
0.40A27.62