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.	6DK1_A_GM4A301_0 (SIGMA NON-OPIOID INTRACELLULAR RECEPTOR 1)	1suv	TRANSFERRIN RECEPTOR PROTEIN 1 (Homo sapiens)	5 / 11	VAL A 404 ALA A 451 TRP A 453 TYR A 470 LEU A 474	None	1.30A	16.20
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.	6DK1_A_GM4A301_0 (SIGMA NON-OPIOID INTRACELLULAR RECEPTOR 1)	2cbz	MULTIDRUG RESISTANCE-ASSOCIATE D PROTEIN 1 (Homo sapiens)	5 / 11	VAL A 740 MET A 816 TYR A 789 LEU A 817 ALA A 779	None	1.49A	22.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	6DK1_A_GM4A301_0 (SIGMA NON-OPIOID INTRACELLULAR RECEPTOR 1)	5hk2	SIGMA NON-OPIOID INTRACELLULAR RECEPTOR 1 (Homo sapiens)	9 / 11	VAL A  84 ALA A  86 TRP A  89 MET A  93 TYR A 103 LEU A 105 TRP A 164 GLU A 172 ALA A 185	61V  A 301 (-4.5A) None None 61V  A 301 (-3.4A) 61V  A 301 ( 4.3A) None None 61V  A 301 (-2.9A) 61V  A 301 ( 4.2A)	0.74A	100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	6DK1_A_GM4A301_0 (SIGMA NON-OPIOID INTRACELLULAR RECEPTOR 1)	5hk2	SIGMA NON-OPIOID INTRACELLULAR RECEPTOR 1 (Homo sapiens)	10 / 11	VAL A  84 ALA A  86 TRP A  89 MET A  93 TYR A 103 LEU A 105 TYR A 120 ASP A 126 TRP A 164 GLU A 172	61V  A 301 (-4.5A) None None 61V  A 301 (-3.4A) 61V  A 301 ( 4.3A) None None 61V  A 301 (-3.2A) None 61V  A 301 (-2.9A)	0.64A	100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	6DK1_A_GM4A301_0 (SIGMA NON-OPIOID INTRACELLULAR RECEPTOR 1)	5hk2	SIGMA NON-OPIOID INTRACELLULAR RECEPTOR 1 (Homo sapiens)	5 / 11	VAL A  84 LEU A 105 ASP A 126 GLU A 172 ALA A  86	61V  A 301 (-4.5A) None 61V  A 301 (-3.2A) 61V  A 301 (-2.9A) None	1.49A	100.00
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.	6DK1_B_GM4B301_0 (SIGMA NON-OPIOID INTRACELLULAR RECEPTOR 1)	1ivh	ISOVALERYL-COA DEHYDROGENASE (Homo sapiens)	5 / 11	VAL A  80 ALA A 259 LEU A  13 ASP A   7 LEU A 256	None	1.44A	19.95
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.	6DK1_B_GM4B301_0 (SIGMA NON-OPIOID INTRACELLULAR RECEPTOR 1)	1suv	TRANSFERRIN RECEPTOR PROTEIN 1 (Homo sapiens)	5 / 11	VAL A 404 ALA A 451 TRP A 453 TYR A 470 LEU A 474	None	1.31A	16.20
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.	6DK1_B_GM4B301_0 (SIGMA NON-OPIOID INTRACELLULAR RECEPTOR 1)	3n0t	DIPEPTIDYL PEPTIDASE 2 (Homo sapiens)	5 / 11	VAL A 189 ALA A 191 LEU A 404 ALA A 193 LEU A 395	None	1.45A	19.57
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.	6DK1_B_GM4B301_0 (SIGMA NON-OPIOID INTRACELLULAR RECEPTOR 1)	4u9v	N-ALPHA-ACETYLTRANSF ERASE 40 (Homo sapiens)	5 / 11	VAL B 140 ALA B 120 LEU B 190 TYR B  48 LEU B 109	ACO  B 301 (-4.2A) None None None None	1.04A	20.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	6DK1_B_GM4B301_0 (SIGMA NON-OPIOID INTRACELLULAR RECEPTOR 1)	5hk2	SIGMA NON-OPIOID INTRACELLULAR RECEPTOR 1 (Homo sapiens)	11 / 11	VAL A  84 ALA A  86 TRP A  89 TYR A 103 LEU A 105 TYR A 120 ASP A 126 TRP A 164 GLU A 172 ALA A 185 LEU A 186	61V  A 301 (-4.5A) None None 61V  A 301 ( 4.3A) None None 61V  A 301 (-3.2A) None 61V  A 301 (-2.9A) 61V  A 301 ( 4.2A) None	0.54A	100.00
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.	6DK1_C_GM4C301_0 (SIGMA NON-OPIOID INTRACELLULAR RECEPTOR 1)	1suv	TRANSFERRIN RECEPTOR PROTEIN 1 (Homo sapiens)	5 / 11	VAL A 404 ALA A 451 TRP A 453 TYR A 470 LEU A 474	None	1.28A	16.20
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.	6DK1_C_GM4C301_0 (SIGMA NON-OPIOID INTRACELLULAR RECEPTOR 1)	5b39	KILLER CELL IMMUNOGLOBULIN-LIKE RECEPTOR 3DL1 (Homo sapiens)	5 / 11	VAL G  92 ALA G  16 LEU G  39 THR G  25 ALA G  12	None	1.41A	20.20
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.	6DK1_C_GM4C301_0 (SIGMA NON-OPIOID INTRACELLULAR RECEPTOR 1)	5edu	MALTOSE-BINDING PERIPLASMIC PROTEIN, HISTONE DEACETYLASE 6 CHIMERA (Escherichia coli; Homo sapiens)	5 / 11	ALA B 582 TYR B 570 GLU B 502 THR B 575 ALA B 579	None	1.19A	16.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	6DK1_C_GM4C301_0 (SIGMA NON-OPIOID INTRACELLULAR RECEPTOR 1)	5hk2	SIGMA NON-OPIOID INTRACELLULAR RECEPTOR 1 (Homo sapiens)	11 / 11	VAL A  84 ALA A  86 TRP A  89 TYR A 103 LEU A 105 TYR A 120 ASP A 126 TRP A 164 GLU A 172 THR A 181 ALA A 185	61V  A 301 (-4.5A) None None 61V  A 301 ( 4.3A) None None 61V  A 301 (-3.2A) None 61V  A 301 (-2.9A) 61V  A 301 ( 4.7A) 61V  A 301 ( 4.2A)	0.70A	100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	6DK1_C_GM4C301_0 (SIGMA NON-OPIOID INTRACELLULAR RECEPTOR 1)	5hk2	SIGMA NON-OPIOID INTRACELLULAR RECEPTOR 1 (Homo sapiens)	5 / 11	VAL A  84 LEU A 105 ASP A 126 GLU A 172 ALA A  86	61V  A 301 (-4.5A) None 61V  A 301 (-3.2A) 61V  A 301 (-2.9A) None	1.44A	100.00