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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1M8D_A_CLWA906_1
(INDUCIBLE NITRIC
OXIDE SYNTHASE)
1m9q ENDOTHELIAL
NITRIC-OXIDE
SYNTHASE
(Homo
sapiens)
5 / 5PRO A 334
VAL A 336
TYR A 357
MET A 358
GLU A 361
5NI  A 907 ( 4.8A)
5NI  A 907 (-4.4A)
5NI  A 907 (-4.6A)
HEM  A 901 ( 4.4A)
HEM  A 901 ( 3.1A)
0.40A61.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1M8D_A_CLWA906_1
(INDUCIBLE NITRIC
OXIDE SYNTHASE)
3e7g NITRIC OXIDE
SYNTHASE, INDUCIBLE
(Homo
sapiens)
4 / 5PRO A 350
VAL A 352
TYR A 373
MET A 374
AT2  A 906 (-4.5A)
AT2  A 906 ( 4.8A)
None
HEM  A 901 ( 4.6A)
0.18A87.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1M8D_A_CLWA906_1
(INDUCIBLE NITRIC
OXIDE SYNTHASE)
3e7g NITRIC OXIDE
SYNTHASE, INDUCIBLE
(Homo
sapiens)
4 / 5VAL A 352
TYR A 373
MET A 374
GLU A 377
AT2  A 906 ( 4.8A)
None
HEM  A 901 ( 4.6A)
AT2  A 906 ( 2.7A)
1.18A87.23
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.
1M8D_A_CLWA906_1
(INDUCIBLE NITRIC
OXIDE SYNTHASE)
3nyo G PROTEIN-COUPLED
RECEPTOR KINASE 6
(Homo
sapiens)
4 / 5PRO A 384
VAL A 401
TYR A 376
GLU A 406
None
1.41A20.83
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.
1M8D_A_CLWA906_1
(INDUCIBLE NITRIC
OXIDE SYNTHASE)
4b6l SERINE/THREONINE-PRO
TEIN KINASE PLK3
(Homo
sapiens)
4 / 5PRO A 259
VAL A 275
TYR A 251
MET A 250
None
1.03A23.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1M8D_B_CLWB907_1
(INDUCIBLE NITRIC
OXIDE SYNTHASE)
1m9q ENDOTHELIAL
NITRIC-OXIDE
SYNTHASE
(Homo
sapiens)
5 / 5PRO A 334
VAL A 336
TYR A 357
MET A 358
GLU A 361
5NI  A 907 ( 4.8A)
5NI  A 907 (-4.4A)
5NI  A 907 (-4.6A)
HEM  A 901 ( 4.4A)
HEM  A 901 ( 3.1A)
0.39A61.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1M8D_B_CLWB907_1
(INDUCIBLE NITRIC
OXIDE SYNTHASE)
3e7g NITRIC OXIDE
SYNTHASE, INDUCIBLE
(Homo
sapiens)
4 / 5PRO A 350
VAL A 352
TYR A 373
MET A 374
AT2  A 906 (-4.5A)
AT2  A 906 ( 4.8A)
None
HEM  A 901 ( 4.6A)
0.19A87.23
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.
1M8D_B_CLWB907_1
(INDUCIBLE NITRIC
OXIDE SYNTHASE)
3nyo G PROTEIN-COUPLED
RECEPTOR KINASE 6
(Homo
sapiens)
4 / 5PRO A 384
VAL A 401
TYR A 376
GLU A 406
None
1.43A20.83
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.
1M8D_B_CLWB907_1
(INDUCIBLE NITRIC
OXIDE SYNTHASE)
4b6l SERINE/THREONINE-PRO
TEIN KINASE PLK3
(Homo
sapiens)
4 / 5PRO A 259
VAL A 275
TYR A 251
MET A 250
None
1.04A23.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1M9J_A_CLWA906_1
(ENDOTHELIAL
NITRIC-OXIDE
SYNTHASE)
1m9q ENDOTHELIAL
NITRIC-OXIDE
SYNTHASE
(Homo
sapiens)
5 / 5PRO A 334
VAL A 336
TYR A 357
MET A 358
GLU A 361
5NI  A 907 ( 4.8A)
5NI  A 907 (-4.4A)
5NI  A 907 (-4.6A)
HEM  A 901 ( 4.4A)
HEM  A 901 ( 3.1A)
0.48A100.00
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.
1M9J_A_CLWA906_1
(ENDOTHELIAL
NITRIC-OXIDE
SYNTHASE)
2x47 MACRO
DOMAIN-CONTAINING
PROTEIN 1
(Homo
sapiens)
4 / 5PRO A 219
VAL A 120
TYR A 114
GLU A 111
None
1.33A19.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1M9J_A_CLWA906_1
(ENDOTHELIAL
NITRIC-OXIDE
SYNTHASE)
3e7g NITRIC OXIDE
SYNTHASE, INDUCIBLE
(Homo
sapiens)
4 / 5PRO A 350
VAL A 352
TYR A 373
MET A 374
AT2  A 906 (-4.5A)
AT2  A 906 ( 4.8A)
None
HEM  A 901 ( 4.6A)
0.31A60.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1M9J_A_CLWA906_1
(ENDOTHELIAL
NITRIC-OXIDE
SYNTHASE)
3e7g NITRIC OXIDE
SYNTHASE, INDUCIBLE
(Homo
sapiens)
4 / 5VAL A 352
TYR A 373
MET A 374
GLU A 377
AT2  A 906 ( 4.8A)
None
HEM  A 901 ( 4.6A)
AT2  A 906 ( 2.7A)
1.25A60.10
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.
1M9J_A_CLWA906_1
(ENDOTHELIAL
NITRIC-OXIDE
SYNTHASE)
3nyo G PROTEIN-COUPLED
RECEPTOR KINASE 6
(Homo
sapiens)
4 / 5PRO A 384
VAL A 401
TYR A 376
GLU A 406
None
1.41A21.23
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.
1M9J_A_CLWA906_1
(ENDOTHELIAL
NITRIC-OXIDE
SYNTHASE)
4b6l SERINE/THREONINE-PRO
TEIN KINASE PLK3
(Homo
sapiens)
4 / 5PRO A 259
VAL A 275
TYR A 251
MET A 250
None
1.13A21.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1M9J_B_CLWB907_1
(ENDOTHELIAL
NITRIC-OXIDE
SYNTHASE)
1m9q ENDOTHELIAL
NITRIC-OXIDE
SYNTHASE
(Homo
sapiens)
5 / 5PRO A 334
VAL A 336
TYR A 357
MET A 358
GLU A 361
5NI  A 907 ( 4.8A)
5NI  A 907 (-4.4A)
5NI  A 907 (-4.6A)
HEM  A 901 ( 4.4A)
HEM  A 901 ( 3.1A)
0.25A100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1M9J_B_CLWB907_1
(ENDOTHELIAL
NITRIC-OXIDE
SYNTHASE)
3e7g NITRIC OXIDE
SYNTHASE, INDUCIBLE
(Homo
sapiens)
4 / 5PRO A 350
VAL A 352
TYR A 373
MET A 374
AT2  A 906 (-4.5A)
AT2  A 906 ( 4.8A)
None
HEM  A 901 ( 4.6A)
0.24A60.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1M9J_B_CLWB907_1
(ENDOTHELIAL
NITRIC-OXIDE
SYNTHASE)
3e7g NITRIC OXIDE
SYNTHASE, INDUCIBLE
(Homo
sapiens)
4 / 5VAL A 352
TYR A 373
MET A 374
GLU A 377
AT2  A 906 ( 4.8A)
None
HEM  A 901 ( 4.6A)
AT2  A 906 ( 2.7A)
1.18A60.10
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.
1M9J_B_CLWB907_1
(ENDOTHELIAL
NITRIC-OXIDE
SYNTHASE)
4b6l SERINE/THREONINE-PRO
TEIN KINASE PLK3
(Homo
sapiens)
4 / 5PRO A 259
VAL A 275
TYR A 251
MET A 250
None
1.11A21.56