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.
5C6O_A_4YHA501_1
(BH2163 PROTEIN)
4udb MINERALOCORTICOID
RECEPTOR
(Homo
sapiens)
5 / 9ASN A 770
MET A 845
MET A 840
PHE A 835
GLN A 842
CV7  A1987 (-3.1A)
CV7  A1987 (-4.6A)
CV7  A1987 ( 3.7A)
None
None
1.34A20.52
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.
5C6P_A_4YHA601_1
(PROTEIN C)
2kxq E3 UBIQUITIN-PROTEIN
LIGASE SMURF2
(Homo
sapiens)
4 / 6ALA A 332
SER A 331
GLN A 324
PRO A 300
None
1.09A8.93
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.
5C6P_A_4YHA601_1
(PROTEIN C)
2zj4 GLUCOSAMINE--FRUCTOS
E-6-PHOSPHATE
AMINOTRANSFERASE
[ISOMERIZING] 1
(Homo
sapiens)
4 / 6ALA A 660
GLN A 325
SER A 321
ASP A 668
None
1.02A21.21
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.
5C6P_A_4YHA601_1
(PROTEIN C)
3fo5 THIOESTERASE,
ADIPOSE ASSOCIATED,
ISOFORM BFIT2
(Homo
sapiens)
4 / 6ALA A 550
SER A 425
SER A 394
PRO A 374
GOL  A 595 (-4.3A)
None
None
None
1.14A18.03
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.
5C6P_A_4YHA601_1
(PROTEIN C)
4cca SYNTAXIN-BINDING
PROTEIN 2
(Homo
sapiens)
4 / 6ALA A 251
SER A 545
GLN A 369
SER A 473
None
1.16A21.42
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.
5C6P_A_4YHA601_1
(PROTEIN C)
4m8g TUMOR SUPPRESSOR
CANDIDATE 3
(Homo
sapiens)
4 / 6SER A  88
SER A  44
ASP A 123
PRO A 119
None
1.08A16.08
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.
5C6P_A_4YHA601_1
(PROTEIN C)
4twe N-ACETYLATED-ALPHA-L
INKED ACIDIC
DIPEPTIDASE-LIKE
PROTEIN
(Homo
sapiens)
4 / 6ALA A  71
SER A 346
SER A 412
PRO A 379
None
None
None
ZN  A 802 ( 4.7A)
1.08A22.56
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.
5C6P_A_4YHA601_1
(PROTEIN C)
5ocy ACPA E4 FAB FRAGMENT
- HEAVY CHAIN
ACPA E4 FAB FRAGMENT
- LIGHT CHAIN
(Homo
sapiens)
4 / 6ALA L  44
SER L  43
ASP H 108
PRO H 109
None
1.20A9.37
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.
5C6P_A_4YHA601_1
(PROTEIN C)
5v8j CYCLIC GMP-AMP
SYNTHASE
(Homo
sapiens)
4 / 6ALA A 222
SER A 221
SER A 435
ASP A 227
None
1.05A20.38
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.
5C6P_A_4YHA601_1
(PROTEIN C)
5w0m TERMINAL
URIDYLYLTRANSFERASE
7
(Homo
sapiens)
4 / 6ALA A1172
SER A1170
ASP A1280
PRO A1281
None
SO4  A1401 (-2.8A)
None
None
0.99A21.28