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.	3BUF_A_AEGA394_0 (BETA-SECRETASE 1)	1apy	ASPARTYLGLUCOSAMINID ASE (Homo sapiens)	4 / 5	LEU B 240 ILE B 267 ILE B 239 GLY B 235	None	0.86A	15.96
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.	3BUF_A_AEGA394_0 (BETA-SECRETASE 1)	1htr	GASTRICSIN (Homo sapiens)	4 / 5	LEU B  30 ASP B  32 ILE B 120 GLY B 219	None	0.67A	26.57
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.	3BUF_A_AEGA394_0 (BETA-SECRETASE 1)	1jqe	HISTAMINE N-METHYLTRANSFERASE (Homo sapiens)	4 / 5	LEU A  71 ASP A  67 ILE A  54 ILE A  70	None	0.97A	19.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	3BUF_A_AEGA394_0 (BETA-SECRETASE 1)	2ewy	BETA-SECRETASE 2 (Homo sapiens)	4 / 5	LEU A  46 ASP A  48 ILE A 134 GLY A 243	None DBO  A1001 (-2.7A) None DBO  A1001 (-4.2A)	0.31A	52.70
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.	3BUF_A_AEGA394_0 (BETA-SECRETASE 1)	3v4p	INTEGRIN ALPHA-4 (Homo sapiens)	4 / 5	LEU A 342 ILE A 367 ILE A 345 GLY A 403	None	0.95A	23.60
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.	3BUF_A_AEGA394_0 (BETA-SECRETASE 1)	4lxl	LYSINE-SPECIFIC DEMETHYLASE 4B (Homo sapiens)	4 / 5	ASP A  64 ILE A 137 ILE A  63 GLY A  96	None	0.86A	20.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	3BUF_A_AEGA394_0 (BETA-SECRETASE 1)	4rcd	BETA-SECRETASE 1 (Homo sapiens)	5 / 5	LEU A  30 ASP A  32 ILE A 110 ILE A 118 GLY A 230	3LL  A 501 (-4.2A) 3LL  A 501 (-2.8A) None 3LL  A 501 (-4.6A) 3LL  A 501 (-3.0A)	0.12A	99.26
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.	3BUF_A_AEGA394_0 (BETA-SECRETASE 1)	5ebb	ACID SPHINGOMYELINASE-LIK E PHOSPHODIESTERASE 3A (Homo sapiens)	4 / 5	ASP A 153 ILE A 136 ILE A 129 GLY A 109	None	0.91A	24.63
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.	3BUF_A_AEGA394_0 (BETA-SECRETASE 1)	5hdt	SISTER CHROMATID COHESION PROTEIN PDS5 HOMOLOG B (Homo sapiens)	4 / 5	LEU A 621 ILE A 613 ILE A 622 GLY A 649	None	0.93A	15.55
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.	3BUF_A_AEGA394_0 (BETA-SECRETASE 1)	6ej2	BETA-SECRETASE 1 (Homo sapiens)	5 / 5	LEU A 439 ASP A 441 ILE A 519 ILE A 527 GLY A 639	B7E  A 901 (-4.6A) B7E  A 901 (-2.9A) None B7E  A 901 (-4.4A) B7E  A 901 (-3.8A)	0.39A	undetectable