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.
3CSJ_B_CBLB211_0
(GLUTATHIONE
S-TRANSFERASE P)
1bhg BETA-GLUCURONIDASE
(Homo
sapiens)
5 / 9GLY A 583
ARG A 577
ILE A 629
TYR A 626
GLY A 347
None
1.46A16.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3CSJ_B_CBLB211_0
(GLUTATHIONE
S-TRANSFERASE P)
1lbk GLUTATHIONE
S-TRANSFERASE CLASS
PI CHIMAERA (CODA)
(Homo
sapiens)
8 / 9TYR A   7
PHE A   8
PRO A   9
VAL A  10
GLY A  12
ARG A  13
ILE A 104
TYR A 108
None
GSH  A 504 (-4.7A)
None
None
None
GSH  A 504 (-3.7A)
None
None
0.57A97.12
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.
3CSJ_B_CBLB211_0
(GLUTATHIONE
S-TRANSFERASE P)
2cow KINESIN-LIKE PROTEIN
KIF13B
(Homo
sapiens)
5 / 9PRO A  87
VAL A  54
GLY A  55
ARG A  41
GLY A  44
None
1.46A23.00
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.
3CSJ_B_CBLB211_0
(GLUTATHIONE
S-TRANSFERASE P)
2pid TYROSYL-TRNA
SYNTHETASE
(Homo
sapiens)
5 / 9PRO A 272
VAL A 271
GLY A 243
ILE A  76
GLY A  97
None
None
YSA  A 384 (-3.1A)
None
None
1.44A19.67
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.
3CSJ_B_CBLB211_0
(GLUTATHIONE
S-TRANSFERASE P)
4deq NEUROPILIN-1,
VASCULAR ENDOTHELIAL
GROWTH FACTOR A
(Homo
sapiens)
5 / 9VAL A 118
GLY A  67
ILE A 133
TYR A  85
GLY A 110
None
1.25A18.80
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.
3CSJ_B_CBLB211_0
(GLUTATHIONE
S-TRANSFERASE P)
4xwh ALPHA-N-ACETYLGLUCOS
AMINIDASE
(Homo
sapiens)
5 / 9PRO A 445
GLY A 511
ARG A 510
TYR A 658
GLY A 411
None
None
None
XYL  A2015 (-3.4A)
None
1.49A14.44
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.
3CSJ_B_CBLB211_0
(GLUTATHIONE
S-TRANSFERASE P)
5cek TRIBBLES HOMOLOG 1
(Homo
sapiens)
5 / 9VAL A 202
GLY A 204
ILE A 253
TYR A 260
GLY A 262
None
1.44A22.57