Ligand ID: AEG


Drugbank ID:
DB09352
(Hydroxyamphetamine)


Indication:
Mydriatic agent (eye pupil dilatation) for diagnosis of ophthalmic nerve lesions.

Get human targets for AEG in PDB (known and potential targets)

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'AEG'

Click here for results that match SARS-Cov-2 / COVID-19 structures only
Click here for results that match SARS-related structures only


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		 View Interface RMSD Seq.
Identity (%)		 HETATM 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)		1z1i 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 5
ASP A 216
ILE A 259
ILE A 281
GLY A 215
1.31A21.90
None
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)		1z1j 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 5
LEU A 282
ASP A 216
ILE B1286
ILE A 281
1.33A21.90
None
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)		2cjr NUCLEOCAPSID PROTEIN
(SARS-COV
TW1)		4 / 5
LEU E 332
ILE F 305
ILE F 338
GLY E 322
1.17A15.32
None
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)		2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 5
LEU A  92
ASP A  91
ILE A  99
ILE A  55
1.33A14.60
None
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)		2ga6 ORF1A POLYPROTEIN
(SARSr-CoV)		4 / 5
LEU R  92
ASP R  91
ILE R  99
ILE R  55
1.25A18.28
None
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)		2gib NUCLEOCAPSID PROTEIN
(SARSr-CoV)		4 / 5
LEU B 332
ILE A 305
ILE A 338
GLY B 322
1.17A14.43
None
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)		2k7x REPLICASE
POLYPROTEIN 1AB MAIN
PROTEASE
(SARS-COV
Sino1-11)		4 / 5
LEU A 287
ILE A 281
ILE A 286
GLY A 275
1.32A15.88
None
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)		2ozk URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		4 / 5
LEU C 142
ASP C 124
ILE C 143
GLY C 125
1.26A21.43
None
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)		2rhb URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		4 / 5
LEU D 142
ASP D 124
ILE D 143
GLY D 125
1.24A21.20
None
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)		2xyq PUTATIVE 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		4 / 5
LEU A 161
ILE A  68
ILE A 157
GLY A 165
1.27A21.41
None
None
None
NA  A1295 (-3.8A)
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)		2xyr NSP10
(SARSr-CoV)		4 / 5
LEU B  92
ASP B  91
ILE B  99
ILE B  55
1.33A14.40
None
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)		2xyv PUTATIVE 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		4 / 5
LEU A 161
ILE A  68
ILE A 157
GLY A 165
1.26A21.65
None
None
None
NA  A1294 (-3.7A)
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)		3avz 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 5
ASP A 216
ILE A 259
ILE A 281
GLY A 215
1.30A21.90
None
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)		3ea9 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 5
ASP A 216
ILE A 259
ILE A 281
GLY A 215
1.28A21.90
None
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)		3m3t 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 5
LEU A 282
ASP A 216
ILE A 281
GLY A  -1
1.27A23.11
None
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)		3r24 NSP10 AND NSP11
(SARSr-CoV)		4 / 5
LEU B  92
ASP B  91
ILE B  99
ILE B  55
1.23A18.28
None
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)		3r24 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		4 / 5
LEU A 161
ILE A  68
ILE A 157
GLY A 165
1.27A21.99
None
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)		5c8s NSP10
(SARSr-CoV)		4 / 5
LEU A  92
ASP A  91
ILE A  99
ILE A  55
1.26A15.65
None
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)		5c8t GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		4 / 5
ASP D 352
ILE D 338
ILE D 363
GLY D 333
1.33A21.51
SAM  D 605 (-2.3A)
None
None
SAM  D 605 (-3.6A)
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)		5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)		4 / 5
ASP A 352
ILE A 338
ILE A 363
GLY A 333
1.32A20.00
None
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)		5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)		4 / 5
LEU N  92
ASP N  91
ILE N  99
ILE N  55
1.25A14.18
None
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)		5rfc 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 5
ASP A 216
ILE A 259
ILE A 281
GLY A 215
1.56A20.00
None
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)		5wrg SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 5
LEU A 597
ILE A 637
ILE A 652
GLY A 634
1.18A15.81
None
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)		5x58 SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		4 / 5
LEU B 636
ILE B 584
ILE B 637
GLY B 634
1.26A16.07
None
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)		6acd SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 5
LEU C 597
ILE C 637
ILE C 652
GLY C 634
1.24A15.81
None
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)		6crv SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 5
LEU B 597
ILE B 637
ILE B 652
GLY B 634
1.33A16.06
None
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)		6cs2 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 5
LEU A 597
ILE A 637
ILE A 652
GLY A 634
1.21A16.06
None
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)		6lxt SPIKE PROTEIN S2
(SARS-CoV-2)		4 / 5
LEU A1166
ILE A1169
ILE B 973
GLY A 971
1.24A16.58
None
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)		6lze VIRAL PROTEASE
(SARS-CoV-2)		4 / 5
ASP A 216
ILE A 259
ILE A 281
GLY A 215
1.41A23.44
None
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)		6m0k VIRAL PROTEASE
(SARS-CoV-2)		4 / 5
ASP A 216
ILE A 259
ILE A 281
GLY A 215
1.40A23.33
None
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)		6m17 SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		4 / 5
LEU A  78
ILE A  76
ILE A  83
GLY A 311
1.26A21.32
None
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)		6m71 NSP12
(SARS-CoV-2)		4 / 5
LEU A 862
ASP A 865
ILE A 548
ILE A 837
1.70A18.04
None
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)		6m71 NSP12
(SARS-CoV-2)		4 / 5
LEU A 862
ILE A 888
ILE A 837
GLY A 841
1.40A18.04
None
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)		6nb6 SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 5
LEU B 636
ILE B 584
ILE B 637
GLY B 634
1.31A16.04
None
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)		6vsb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 5
LEU A 650
ILE A 598
ILE A 651
GLY A 648
1.22A15.29
None
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)		6vxx SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 5
LEU C 611
ILE C 651
ILE C 666
GLY C 648
1.28A14.49
None
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)		6vyb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 5
LEU C 611
ILE C 651
ILE C 666
GLY C 648
1.27A14.49
None
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)		6w4h NSP16
(SARS-CoV-2)		4 / 5
LEU A6959
ILE A6866
ILE A6955
GLY A6963
1.20A23.73
None
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)		6w61 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 5
LEU A6959
ILE A6926
ILE A6955
GLY A7006
1.67A
None
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)		6w61 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 5
ASP A6897
ILE A7088
ILE A6910
GLY A6869
1.33A
SAM  A7104 (-2.8A)
None
None
SAM  A7104 (-3.6A)
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)		6w61 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 5
LEU A6959
ILE A6866
ILE A6955
GLY A7006
1.69A
None
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)		6w61 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 5
LEU A6959
ILE A6926
ILE A6955
GLY A6963
1.34A
None
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)		6w61 NSP10
(SARS-CoV-2)		4 / 5
LEU B4345
ASP B4344
ILE B4352
ILE B4308
1.20A
None
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)		6w61 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 5
LEU A7004
ILE A7017
ILE A6967
GLY A7006
1.70A
None
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)		6w61 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 5
LEU A6924
ILE A7005
ILE A6925
GLY A6963
1.36A
None
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)		6w61 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 5
ASP A6897
ILE A6866
ILE A6910
GLY A6869
1.79A17.76
SAM  A7104 (-2.8A)
None
None
SAM  A7104 (-3.6A)
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)		6w61 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 5
LEU A6959
ILE A7079
ILE A6925
GLY A7006
1.38A
None
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)		6w61 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 5
LEU A6959
ILE A6866
ILE A6955
GLY A6963
1.21A
None
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)		6w63 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 5
ASP A 216
ILE A 259
ILE A 281
GLY A 215
1.58A
None
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)		6w75 NSP16
(SARS-CoV-2)		4 / 5
LEU C6959
ILE C6926
ILE C6955
GLY C6963
1.37A18.43
None
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)		6w75 NSP16
(SARS-CoV-2)		4 / 5
LEU C6959
ILE C6926
ILE C6955
GLY C7006
1.73A18.43
None
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)		6w75 NSP16
(SARS-CoV-2)		4 / 5
LEU A6959
ILE A7079
ILE A6925
GLY A7006
1.38A18.43
None
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)		6w75 NSP10
(SARS-CoV-2)		4 / 5
LEU D4345
ASP D4344
ILE D4352
ILE D4308
1.24A14.43
None
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)		6w75 NSP16
(SARS-CoV-2)		4 / 5
LEU A6959
ILE A6926
ILE A6955
GLY A7006
1.70A18.43
None
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)		6w75 NSP16
(SARS-CoV-2)		4 / 5
ASP A6897
ILE A7088
ILE A6910
GLY A6869
1.34A18.43
SAM  A7102 ( 2.6A)
None
None
SAM  A7102 ( 3.8A)
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)		6w75 NSP16
(SARS-CoV-2)		4 / 5
LEU A6959
ILE A6926
ILE A6955
GLY A6963
1.35A18.43
None
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)		6w75 NSP16
(SARS-CoV-2)		4 / 5
LEU A6959
ILE A6866
ILE A6955
GLY A7006
1.61A18.43
None
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)		6w75 NSP16
(SARS-CoV-2)		4 / 5
ASP C6897
ILE C6866
ILE C6910
GLY C6869
1.76A18.43
SAM  C7105 ( 2.7A)
None
None
SAM  C7105 ( 3.8A)
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)		6w75 NSP16
(SARS-CoV-2)		4 / 5
ASP C6897
ILE C7088
ILE C6910
GLY C6869
1.31A18.43
SAM  C7105 ( 2.7A)
None
None
SAM  C7105 ( 3.8A)
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)		6w75 NSP16
(SARS-CoV-2)		4 / 5
LEU C6924
ILE C7005
ILE C6925
GLY C6963
1.39A18.43
None
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)		6w75 NSP16
(SARS-CoV-2)		4 / 5
ASP A6897
ILE A6866
ILE A6910
GLY A6869
1.76A18.43
SAM  A7102 ( 2.6A)
None
None
SAM  A7102 ( 3.8A)
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)		6w75 NSP16
(SARS-CoV-2)		4 / 5
LEU C7073
ILE C7079
ILE C7069
GLY C7011
1.37A18.43
None
None
None
NA  C7103 ( 4.1A)
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)		6w75 NSP16
(SARS-CoV-2)		4 / 5
LEU A6924
ILE A7005
ILE A6925
GLY A6963
1.38A18.43
None
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)		6w75 NSP16
(SARS-CoV-2)		4 / 5
LEU C6959
ILE C6866
ILE C6955
GLY C6963
1.15A18.43
None
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)		6w75 NSP16
(SARS-CoV-2)		4 / 5
LEU C6959
ILE C7079
ILE C6925
GLY C7006
1.40A18.43
None
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)		6w75 NSP16
(SARS-CoV-2)		4 / 5
LEU A7004
ILE A7017
ILE A6967
GLY A7006
1.74A18.43
None
FMT  A7111 ( 4.8A)
None
None
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)		6w75 NSP10
(SARS-CoV-2)		4 / 5
LEU B4345
ASP B4344
ILE B4352
ILE B4308
1.21A14.43
None
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)		6w75 NSP16
(SARS-CoV-2)		4 / 5
LEU C7004
ILE C7017
ILE C6967
GLY C7006
1.77A18.43
None
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)		6w75 NSP16
(SARS-CoV-2)		4 / 5
LEU C6959
ILE C6866
ILE C6955
GLY C7006
1.60A18.43
None
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)		6w75 NSP16
(SARS-CoV-2)		4 / 5
LEU A6959
ILE A6866
ILE A6955
GLY A6963
1.17A18.43
None
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)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		4 / 5
LEU C 118
ILE C 104
ILE C 285
GLY C 100
1.68A
None
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)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		4 / 5
LEU B 118
ILE B 104
ILE B 285
GLY B 100
1.62A
None
None
CL  B 502 (-4.9A)
None
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)		6wiq NSP7
NSP8
(SARS-CoV-2)		4 / 5
LEU A  35
ASP A  38
ILE B 120
ILE A  39
1.57A
None
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)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 5
LEU D 331
ILE C 304
ILE C 337
GLY D 321
1.21A
None
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)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 5
LEU B 331
ILE A 304
ILE A 337
GLY B 321
1.21A
None
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)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 5
LEU B 339
ASP B 341
ILE B 337
GLY A 328
1.58A
None
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)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 5
LEU A 291
ILE B 320
ILE A 292
GLY A 295
1.48A
None
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)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 5
LEU D 291
ILE C 320
ILE D 292
GLY D 295
1.46A
None
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)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 5
LEU B 291
ILE A 320
ILE B 292
GLY B 295
1.50A
None
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)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 5
LEU A 331
ILE B 304
ILE B 337
GLY A 321
1.21A
None
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)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 5
LEU C 331
ILE D 304
ILE D 337
GLY C 321
1.19A
None
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)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 5
LEU F 331
ILE E 304
ILE E 337
GLY F 321
1.19A
None
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)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 5
LEU E 331
ILE F 304
ILE F 337
GLY E 321
1.33A
None
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)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 5
LEU E 291
ILE F 320
ILE E 292
GLY E 295
1.52A
None
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)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 5
LEU F 291
ILE E 320
ILE F 292
GLY F 295
1.49A
None
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)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 5
LEU A6959
ILE A6866
ILE A6955
GLY A6963
1.17A
None
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)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 5
LEU C6924
ILE C7005
ILE C6925
GLY C6963
1.38A
None
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)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 5
LEU A6959
ILE A6926
ILE A6955
GLY A7006
1.70A
None
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)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 5
LEU C6959
ILE C6926
ILE C6955
GLY C6963
1.37A
None
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)		6wjt NSP10
(SARS-CoV-2)		4 / 5
LEU B4345
ASP B4344
ILE B4352
ILE B4308
1.21A
None
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)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 5
LEU A6959
ILE A7079
ILE A6925
GLY A7006
1.36A
None
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)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 5
LEU A6924
ILE A7005
ILE A6925
GLY A6963
1.37A
None
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)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 5
LEU C6959
ILE C6866
ILE C6955
GLY C7006
1.60A
None
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)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 5
ASP C6897
ILE C7088
ILE C6910
GLY C6869
1.30A
SAH  C7102 (-2.6A)
None
None
SAH  C7102 (-3.8A)
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)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 5
ASP A6897
ILE A7088
ILE A6910
GLY A6869
1.33A
SAH  A7102 (-2.6A)
None
None
SAH  A7102 (-3.8A)
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)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 5
LEU A7073
ILE A7079
ILE A7069
GLY A7011
1.39A
None
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)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 5
LEU C6959
ILE C6866
ILE C6955
GLY C6963
1.16A
None
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)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 5
LEU C7004
ILE C7017
ILE C6967
GLY C7006
1.61A
None
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)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 5
LEU A6959
ILE A6926
ILE A6955
GLY A6963
1.35A
None
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)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 5
LEU C6959
ILE C6926
ILE C6955
GLY C7006
1.72A
None
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)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 5
LEU A6959
ILE A6866
ILE A6955
GLY A7006
1.61A
None
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)		6wjt NSP10
(SARS-CoV-2)		4 / 5
LEU D4345
ASP D4344
ILE D4352
ILE D4308
1.20A
None
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)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 5
LEU C6959
ILE C7079
ILE C6925
GLY C7006
1.40A
None
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)		6wkq NSP16
(SARS-CoV-2)		4 / 5
LEU C6959
ILE C6866
ILE C6955
GLY C6963
1.15A
None
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)		6wkq NSP10
(SARS-CoV-2)		4 / 5
LEU D4345
ASP D4344
ILE D4352
ILE D4308
1.21A
None
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)		6wkq NSP16
(SARS-CoV-2)		4 / 5
LEU C7073
ILE C7079
ILE C7069
GLY C7011
1.40A
None
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)		6wkq NSP16
(SARS-CoV-2)		4 / 5
LEU A6959
ILE A7079
ILE A6925
GLY A7006
1.37A
None
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)		6wkq NSP16
(SARS-CoV-2)		4 / 5
LEU C6959
ILE C6926
ILE C6955
GLY C6963
1.37A
None
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)		6wkq NSP16
(SARS-CoV-2)		4 / 5
LEU A6959
ILE A6866
ILE A6955
GLY A6963
1.16A
None
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)		6wkq NSP16
(SARS-CoV-2)		4 / 5
LEU C6959
ILE C6866
ILE C6955
GLY C7006
1.61A
None
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)		6wkq NSP16
(SARS-CoV-2)		4 / 5
LEU A6959
ILE A6926
ILE A6955
GLY A6963
1.34A
None
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)		6wkq NSP16
(SARS-CoV-2)		4 / 5
LEU A6959
ILE A6926
ILE A6955
GLY A7006
1.71A
None
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)		6wkq NSP16
(SARS-CoV-2)		4 / 5
LEU C6959
ILE C7079
ILE C6925
GLY C7006
1.40A
None
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)		6wkq NSP16
(SARS-CoV-2)		4 / 5
ASP A6897
ILE A7088
ILE A6910
GLY A6869
1.33A
SFG  A7103 ( 2.7A)
None
None
SFG  A7103 ( 3.8A)
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)		6wkq NSP16
(SARS-CoV-2)		4 / 5
LEU A6924
ILE A7005
ILE A6925
GLY A6963
1.37A
None
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)		6wkq NSP16
(SARS-CoV-2)		4 / 5
LEU A6959
ILE A6866
ILE A6955
GLY A7006
1.61A
None
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)		6wkq NSP10
(SARS-CoV-2)		4 / 5
LEU B4345
ASP B4344
ILE B4352
ILE B4308
1.21A
None
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)		6wkq NSP16
(SARS-CoV-2)		4 / 5
LEU C6959
ILE C6926
ILE C6955
GLY C7006
1.71A
None
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)		6wkq NSP16
(SARS-CoV-2)		4 / 5
LEU C6924
ILE C7005
ILE C6925
GLY C6963
1.39A
None
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)		6wkq NSP16
(SARS-CoV-2)		4 / 5
ASP C6897
ILE C7088
ILE C6910
GLY C6869
1.30A
SFG  C7103 ( 2.6A)
None
None
SFG  C7103 ( 3.7A)
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)		6wlc URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)		4 / 5
ASP B  79
ILE B  86
ILE B  80
GLY B  77
1.49A
None
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)		6wlc URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)		4 / 5
LEU B 143
ASP B 125
ILE B 144
GLY B 126
1.41A
None
None
None
ACT  B 408 (-4.2A)
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)		6wlc URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)		4 / 5
LEU B 228
ILE B 236
ILE B 223
GLY B 230
1.54A
None
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)		6wlc URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)		4 / 5
LEU A 143
ASP A 125
ILE A 144
GLY A 126
1.43A
None
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)		6wlc URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)		4 / 5
ASP A  79
ILE A  86
ILE A  80
GLY A  77
1.51A
EDO  A 406 (-4.0A)
None
None
EDO  A 406 ( 3.9A)
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)		6wlc URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)		4 / 5
LEU A 228
ILE A 236
ILE A 223
GLY A 230
1.64A
None
None
None
SO4  A 410 (-3.9A)
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)		6wlc URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)		4 / 5
LEU A 251
ASP A 297
ILE A 307
ILE A 253
1.53A
None
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)		6wq3 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 5
LEU A7073
ILE A7079
ILE A7069
GLY A7011
1.38A
None
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)		6wq3 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 5
LEU A6959
ILE A6926
ILE A6955
GLY A7006
1.67A
None
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)		6wq3 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 5
LEU A6959
ILE A7079
ILE A6925
GLY A7006
1.34A
None
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)		6wq3 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 5
LEU A6959
ILE A6866
ILE A6955
GLY A7006
1.66A
None
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)		6wq3 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 5
LEU A6924
ILE A7005
ILE A6925
GLY A6963
1.37A
None
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)		6wq3 NSP10
(SARS-CoV-2)		4 / 5
LEU B4345
ASP B4344
ILE B4352
ILE B4308
1.25A
None
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)		6wq3 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 5
LEU A7004
ILE A7017
ILE A6967
GLY A7006
1.64A
None
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)		6wq3 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 5
LEU A6959
ILE A6866
ILE A6955
GLY A6963
1.22A
None
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)		6wq3 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 5
ASP A6897
ILE A7088
ILE A6910
GLY A6869
1.38A
SAH  A7101 (-2.7A)
None
None
SAH  A7101 (-3.8A)
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)		6wq3 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 5
LEU A6959
ILE A6926
ILE A6955
GLY A6963
1.38A
None
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)		6wq3 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 5
LEU A7037
ASP A6830
ILE A7035
GLY A6829
1.26A
None
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)		6wqd NSP7
NSP8
(SARS-CoV-2)		4 / 5
LEU A  35
ASP A  38
ILE B 120
ILE A  39
1.56A
None
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)		6wqd NSP7
NSP8
(SARS-CoV-2)		4 / 5
LEU C  35
ASP C  38
ILE D 120
ILE C  39
1.59A
None
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)		6yb7 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 5
ASP A 216
ILE A 259
ILE A 281
GLY A 215
1.54A20.00
None
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)		6yhu REPLICASE
POLYPROTEIN 1A
(SARS-CoV-2)		4 / 5
LEU A  35
ASP A  38
ILE B 120
ILE A  39
1.57A
None
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)		6yhu REPLICASE
POLYPROTEIN 1A
(SARS-CoV-2)		4 / 5
LEU C  35
ASP C  38
ILE D 120
ILE C  39
1.60A
None
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)		6yla LIGHT CHAIN
(Homo
sapiens)		4 / 5
LEU L  53
ILE L  81
ILE L  54
GLY L  63
1.60A
None
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)		6yla SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 5
LEU A 335
ASP A 364
ILE A 358
ILE A 332
1.71A
None
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)		6yla LIGHT CHAIN
(Homo
sapiens)		4 / 5
LEU C  53
ILE C  81
ILE C  54
GLY C  63
1.60A
None
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)		6yor IGG L CHAIN
(Homo
sapiens)		4 / 5
LEU C  53
ILE C  81
ILE C  54
GLY C  63
1.58A
None
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)		6yor IGG L CHAIN
(Homo
sapiens)		4 / 5
LEU L  53
ILE L  81
ILE L  54
GLY L  63
1.59A
None
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)		7bqy MAIN PROTEASE
(SARS-CoV-2)		4 / 5
ASP A 216
ILE A 259
ILE A 281
GLY A 215
1.46A
None
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)		7btf NSP12
(SARS-CoV-2)		4 / 5
LEU A 862
ILE A 888
ILE A 837
GLY A 841
1.35A
None
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)		7btf NSP12
(SARS-CoV-2)		4 / 5
LEU A 862
ASP A 865
ILE A 548
ILE A 837
1.66A
None
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)		7buy VIRUS MAIN PROTEASE
(SARS-CoV-2)		4 / 5
ASP A 216
ILE A 259
ILE A 281
GLY A 215
1.43A
None
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)		7bv1 NSP12
(SARS-CoV-2)		4 / 5
LEU A 862
ASP A 865
ILE A 548
ILE A 837
1.56A
None
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)		7bv1 NSP12
(SARS-CoV-2)		4 / 5
LEU A 862
ILE A 888
ILE A 837
GLY A 841
1.35A
None
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)		7bv1 NSP7
NSP8
(SARS-CoV-2)		4 / 5
LEU C  35
ASP C  38
ILE D 119
ILE C  39
1.63A
None
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)		7bv2 NSP12
(SARS-CoV-2)		4 / 5
LEU A 862
ASP A 865
ILE A 548
ILE A 837
1.54A
 U  P  17 ( 4.9A)
U  P  18 ( 3.9A)
None
None
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)		7bv2 NSP12
(SARS-CoV-2)		4 / 5
LEU A 862
ILE A 888
ILE A 837
GLY A 841
1.44A
 U  P  17 ( 4.9A)
None
None
None