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.
4O33_A_TZNA501_1
(PHOSPHOGLYCERATE
KINASE 1)
3bpt 3-HYDROXYISOBUTYRYL-
COA HYDROLASE
(Homo
sapiens)
5 / 12GLY A 179
GLY A 180
LEU A 184
GLY A 149
VAL A 148
None
0.75A22.60
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.
4O33_A_TZNA501_1
(PHOSPHOGLYCERATE
KINASE 1)
3kci PROBABLE E3
UBIQUITIN-PROTEIN
LIGASE HERC2
(Homo
sapiens)
5 / 12GLY A4012
ALA A4013
GLY A4015
GLY A4014
GLY A4021
None
0.86A23.57
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.
4O33_A_TZNA501_1
(PHOSPHOGLYCERATE
KINASE 1)
4ccz METHIONINE SYNTHASE
(Homo
sapiens)
5 / 12ALA A 125
GLY A 123
LEU A 183
GLY A 187
VAL A 188
None
0.82A22.57
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.
4O33_A_TZNA501_1
(PHOSPHOGLYCERATE
KINASE 1)
5hpk E3 UBIQUITIN-PROTEIN
LIGASE NEDD4-LIKE
(Homo
sapiens)
5 / 12GLY A 698
ALA A 697
GLY A 694
MET A 804
LEU A 808
None
0.96A21.98
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.
4O33_A_TZNA501_1
(PHOSPHOGLYCERATE
KINASE 1)
5nn8 LYSOSOMAL
ALPHA-GLUCOSIDASE
(Homo
sapiens)
5 / 12GLY A 638
GLY A 607
THR A 578
GLY A 359
VAL A 358
None
0.93A19.03
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.
4O33_A_TZNA501_1
(PHOSPHOGLYCERATE
KINASE 1)
5vni PROTEIN TRANSPORT
PROTEIN SEC24A
(Homo
sapiens)
5 / 12ALA B 786
GLY B 784
LEU B 410
LEU B 938
VAL B 930
None
0.94A19.81
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.
4O3F_A_TZNA501_1
(PHOSPHOGLYCERATE
KINASE 1)
2wfx HEDGEHOG-INTERACTING
PROTEIN
(Homo
sapiens)
5 / 12ALA B 436
PHE B 554
PHE B 486
LEU B 491
GLY B 433
None
None
None
None
CA  B1670 ( 4.7A)
0.95A20.33
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.
4O3F_A_TZNA501_1
(PHOSPHOGLYCERATE
KINASE 1)
3kci PROBABLE E3
UBIQUITIN-PROTEIN
LIGASE HERC2
(Homo
sapiens)
5 / 12GLY A4012
ALA A4013
GLY A4015
GLY A4014
GLY A4021
None
0.78A23.35
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.
4O3F_A_TZNA501_1
(PHOSPHOGLYCERATE
KINASE 1)
4ccz METHIONINE SYNTHASE
(Homo
sapiens)
5 / 12ALA A 125
GLY A 123
LEU A 183
GLY A 187
VAL A 188
None
0.92A23.37
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.
4O3F_A_TZNA501_1
(PHOSPHOGLYCERATE
KINASE 1)
4fdd TRANSPORTIN-1
(Homo
sapiens)
5 / 12GLY A 147
ALA A 148
GLY A 150
LEU A 152
GLY A 111
None
0.86A20.75
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.
4O3F_A_TZNA501_1
(PHOSPHOGLYCERATE
KINASE 1)
5hpk E3 UBIQUITIN-PROTEIN
LIGASE NEDD4-LIKE
(Homo
sapiens)
5 / 12GLY A 698
ALA A 697
GLY A 694
MET A 804
LEU A 808
None
0.94A21.98
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.
4O3F_A_TZNA501_1
(PHOSPHOGLYCERATE
KINASE 1)
5nn8 LYSOSOMAL
ALPHA-GLUCOSIDASE
(Homo
sapiens)
5 / 12GLY A 638
GLY A 607
THR A 578
GLY A 359
VAL A 358
None
0.96A18.31