Ligand ID: J3Z


Drugbank ID:
DB00655
(Estrone)


Indication:
For management of perimenopausal and postmenopausal symptoms.

Get human targets for J3Z in PDB (known and potential targets)

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'J3Z' AND SARS-RELATED PROTEINS ONLY

1) User may click on the DrReposER ID (the first 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 throuh 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.
5HS6_A_J3ZA302_1
(17-BETA-HYDROXYSTERO
ID DEHYDROGENASE 14)		1ssk NUCLEOCAPSID PROTEIN
(SARSr)		4 / 8
TYR A  65
LEU A 139
LEU A 137
THR A  54
1.41A18.82
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.
5HS6_A_J3ZA302_1
(17-BETA-HYDROXYSTERO
ID DEHYDROGENASE 14)		1wof 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 8
TYR B 237
LEU B 268
LEU B 287
THR B 285
1.48A22.76
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.
3HM1_B_J3ZB1_1
(ESTROGEN RECEPTOR)		1z1i 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 11
MET A 264
LEU A 208
GLU A 288
LEU A 282
LEU A 253
1.66A20.94
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.
5HS6_A_J3ZA302_1
(17-BETA-HYDROXYSTERO
ID DEHYDROGENASE 14)		1z1i 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 8
TYR A 237
LEU A 268
LEU A 287
THR A 285
1.42A21.82
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.
3HM1_A_J3ZA2_1
(ESTROGEN RECEPTOR)		2ahm REPLICASE
POLYPROTEIN 1AB,
LIGHT CHAIN
(SARSr-CoV)		6 / 12
LEU C  33
LEU C  18
LEU C  19
LEU C  40
LEU C  64
MET C  67
1.77A16.54
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.
3HM1_A_J3ZA2_1
(ESTROGEN RECEPTOR)		2beq SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
LEU C 920
LEU A 927
LEU F1168
LEU A 920
LEU C 927
1.57A9.54
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.
3HM1_B_J3ZB1_1
(ESTROGEN RECEPTOR)		2d2d 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 11
MET A 264
LEU A 208
LEU A 287
LEU A 282
LEU A 250
1.78A20.13
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.
5HS6_A_J3ZA302_1
(17-BETA-HYDROXYSTERO
ID DEHYDROGENASE 14)		2fe8 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 8
GLN C 238
LEU C 174
LEU C 179
THR C 201
1.51A26.47
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.
3HM1_A_J3ZA2_1
(ESTROGEN RECEPTOR)		2fe8 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
MET A 170
LEU A 173
THR A 171
LEU A 179
MET A 244
1.44A22.53
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.
5HS6_A_J3ZA302_1
(17-BETA-HYDROXYSTERO
ID DEHYDROGENASE 14)		2ga6 ORF1A POLYPROTEIN
(SARSr-CoV)		4 / 8
TYR I  30
LEU I  14
LEU I  75
THR I 111
1.50A21.11
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.
5HS6_A_J3ZA302_1
(17-BETA-HYDROXYSTERO
ID DEHYDROGENASE 14)		2gdt NSP1 (EC 3.4.22.-)
P65 HOMOLOG
LEADER PROTEIN
(SARSr)		4 / 8
HIS A   2
LEU A  66
LEU A  66
THR A  68
1.49A20.80
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.
3HM1_A_J3ZA2_1
(ESTROGEN RECEPTOR)		2gdt LEADER PROTEIN
P65 HOMOLOG
NSP1
(SARSr-CoV)		5 / 12
LEU A  93
THR A  92
GLU A  44
LEU A  96
LEU A  42
1.56A19.03
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.
3HM1_B_J3ZB1_1
(ESTROGEN RECEPTOR)		2ghw ANTI-SCFV ANTIBODY,
80R
(Homo
sapiens)		5 / 11
GLU B  89
MET B  83
ARG B  67
GLY B   9
LEU B 112
1.71A19.26
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.
3HM1_A_J3ZA2_1
(ESTROGEN RECEPTOR)		2h85 PUTATIVE ORF1AB
POLYPROTEIN
(SARSr-CoV)		5 / 12
THR A 340
ALA A 231
GLU A 233
LEU A 227
LEU A 331
1.50A21.31
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.
5HS6_A_J3ZA302_1
(17-BETA-HYDROXYSTERO
ID DEHYDROGENASE 14)		2jw8 NUCLEOCAPSID PROTEIN
(SARSr-CoV)		4 / 8
LEU B 353
LEU B 354
MET A 323
THR A 330
1.32A18.48
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.
5HS6_A_J3ZA302_1
(17-BETA-HYDROXYSTERO
ID DEHYDROGENASE 14)		2k7x REPLICASE
POLYPROTEIN 1AB MAIN
PROTEASE
(SARS-COV
Sino1-11)		4 / 8
TYR A 237
LEU A 268
LEU A 287
THR A 285
1.53A17.20
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.
3HM1_B_J3ZB1_1
(ESTROGEN RECEPTOR)		2kys NSP7
(SARSr-CoV)		5 / 11
LEU A  19
LEU A  16
LEU A  73
GLY A  66
LEU A  22
1.53A15.12
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.
5HS6_A_J3ZA302_1
(17-BETA-HYDROXYSTERO
ID DEHYDROGENASE 14)		2q6g REPLICASE
POLYPROTEIN 1AB
(SARS-COV
BJ01)		4 / 8
TYR B 237
LEU B 268
LEU B 287
THR B 285
1.50A21.82
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.
3HM1_B_J3ZB1_1
(ESTROGEN RECEPTOR)		2qc2 3C-LIKE PROTEINASE
(-)		5 / 11
MET A 264
LEU A 208
LEU A 287
LEU A 282
LEU A 250
1.78A20.32
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.
3HM1_B_J3ZB1_1
(ESTROGEN RECEPTOR)		2rhb URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		5 / 11
LEU E 250
MET E 218
GLY E 238
HIS E 249
LEU E 248
1.79A22.65
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.
3HM1_A_J3ZA2_1
(ESTROGEN RECEPTOR)		2v6n REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
MET A  17
LEU A  30
LEU A  86
LEU A 177
LEU A  27
1.47A20.94
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.
3HM1_A_J3ZA2_1
(ESTROGEN RECEPTOR)		2xyq PUTATIVE 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		5 / 12
ALA A 168
LEU A  59
LEU A 126
LEU A  85
LEU A  57
1.61A20.67
None
NA  A1295 (-4.3A)
None
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.
3HM1_B_J3ZB1_1
(ESTROGEN RECEPTOR)		2xyr PUTATIVE 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		5 / 11
LEU A  89
LEU A  59
MET A  65
GLY A 256
LEU A 254
1.71A21.55
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.
3HM1_A_J3ZA2_1
(ESTROGEN RECEPTOR)		2xyv PUTATIVE 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		5 / 12
ALA A 168
LEU A  59
LEU A 126
LEU A  85
LEU A  57
1.61A21.55
None
NA  A1294 (-4.3A)
None
None
CL  A1299 ( 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.
5HS6_A_J3ZA302_1
(17-BETA-HYDROXYSTERO
ID DEHYDROGENASE 14)		3avz 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 8
TYR A 237
LEU A 268
LEU A 287
THR A 285
1.53A21.50
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.
3HM1_A_J3ZA2_1
(ESTROGEN RECEPTOR)		3avz 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
MET A  17
LEU A  30
LEU A  86
LEU A 177
LEU A  27
1.59A20.78
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.
5HS6_A_J3ZA302_1
(17-BETA-HYDROXYSTERO
ID DEHYDROGENASE 14)		3bgf F26G19 FAB
(Mus
musculus)		4 / 8
LEU L  36
TRP L  35
LEU L  89
MET L   4
1.28A19.08
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.
3HM1_A_J3ZA2_1
(ESTROGEN RECEPTOR)		3d0g ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 12
LEU B 281
THR B 282
LEU B 262
LEU B 266
LEU B 444
1.42A18.72
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.
3HM1_B_J3ZB1_1
(ESTROGEN RECEPTOR)		3ebn REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 11
LEU D 208
LEU B 271
LEU D 220
ARG B 222
LEU B 282
1.76A23.15
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.
3HM1_A_J3ZA2_1
(ESTROGEN RECEPTOR)		3ee7 REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		5 / 12
LEU C  97
GLU D 104
LEU C  42
LEU C   9
LEU C  94
1.55A18.97
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.
3HM1_B_J3ZB1_1
(ESTROGEN RECEPTOR)		3f9g 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 11
GLU B 290
MET B   6
ARG A   4
GLY A 138
LEU B 282
1.74A19.74
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.
5HS6_A_J3ZA302_1
(17-BETA-HYDROXYSTERO
ID DEHYDROGENASE 14)		3i6g HLA, A-2
(Homo
sapiens)		4 / 8
TYR D 113
LEU D 130
LEU D 160
THR D 163
1.31A23.18
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.
3HM1_B_J3ZB1_1
(ESTROGEN RECEPTOR)		3i6g HLA, A-2
MEMBRANE PROTEIN
(Homo
sapiens)		5 / 11
LEU F   4
GLU A 154
GLY D 100
HIS D 114
LEU D 160
1.76A10.53
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.
5HS6_A_J3ZA302_1
(17-BETA-HYDROXYSTERO
ID DEHYDROGENASE 14)		3i6l HLA, A-24
(Homo
sapiens)		4 / 8
TYR D 113
LEU D 130
LEU D 160
THR D 163
1.43A23.53
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.
3HM1_A_J3ZA2_1
(ESTROGEN RECEPTOR)		3r24 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		5 / 12
ALA A 168
LEU A  59
LEU A 126
LEU A  85
LEU A  57
1.57A20.98
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.
3HM1_A_J3ZA2_1
(ESTROGEN RECEPTOR)		3sci ACE2
(Homo
sapiens)		5 / 12
LEU A 281
THR A 282
LEU A 262
LEU A 266
LEU A 444
1.35A18.30
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.
3HM1_A_J3ZA2_1
(ESTROGEN RECEPTOR)		3scl ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 12
LEU B  95
ALA B  99
LEU B  29
LEU B 391
LEU B 392
1.60A19.01
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.
3HM1_A_J3ZA2_1
(ESTROGEN RECEPTOR)		4m0w REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		5 / 12
MET A 170
LEU A 173
THR A 171
LEU A 179
MET A 244
1.51A23.63
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.
5HS6_A_J3ZA302_1
(17-BETA-HYDROXYSTERO
ID DEHYDROGENASE 14)		4m0w REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		4 / 8
GLN A 238
LEU A 174
LEU A 179
THR A 201
1.51A25.99
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.
3HM1_A_J3ZA2_1
(ESTROGEN RECEPTOR)		4mm3 PAPAIN-LIKE
PROTEINASE
(SARSr-CoV)		5 / 12
MET B 170
LEU B 173
THR B 171
LEU B 179
MET B 244
1.51A22.22
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.
5HS6_A_J3ZA302_1
(17-BETA-HYDROXYSTERO
ID DEHYDROGENASE 14)		4mm3 PAPAIN-LIKE
PROTEINASE
(SARSr-CoV)		4 / 8
GLN B 238
LEU B 174
LEU B 179
THR B 201
1.50A26.47
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.
3HM1_A_J3ZA2_1
(ESTROGEN RECEPTOR)		4rna PAPAIN-LIKE PROTEASE
(Human
betacoronavirus
2c
EMC/2012)		6 / 12
LEU A 113
ALA A 115
LEU A 120
LEU A 170
LEU A 169
MET A  95
1.73A23.37
None
None
None
None
None
PO4  A 402 (-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.
3HM1_B_J3ZB1_1
(ESTROGEN RECEPTOR)		4tww 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 11
MET B 264
LEU B 208
GLU B 288
LEU B 282
LEU B 253
1.76A20.78
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.
5HS6_A_J3ZA302_1
(17-BETA-HYDROXYSTERO
ID DEHYDROGENASE 14)		5c8s GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		4 / 8
TYR D 296
LEU D 419
LEU D 411
THR D 173
1.52A18.87
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.
5HS6_A_J3ZA302_1
(17-BETA-HYDROXYSTERO
ID DEHYDROGENASE 14)		5c8u GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		4 / 8
TYR D 296
LEU D 419
LEU D 411
THR D 173
1.51A19.22
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.
5HS6_A_J3ZA302_1
(17-BETA-HYDROXYSTERO
ID DEHYDROGENASE 14)		5e6j REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 8
GLN D 238
LEU D 174
LEU D 179
THR D 201
1.40A26.47
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.
3HM1_A_J3ZA2_1
(ESTROGEN RECEPTOR)		5e6j REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
MET D 170
LEU D 173
THR D 171
LEU D 179
MET D 244
1.49A22.94
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.
5HS6_A_J3ZA302_1
(17-BETA-HYDROXYSTERO
ID DEHYDROGENASE 14)		5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)		4 / 8
TYR A 296
LEU A 419
LEU A 411
THR A 173
1.50A19.00
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.
5HS6_A_J3ZA302_1
(17-BETA-HYDROXYSTERO
ID DEHYDROGENASE 14)		5tl6 UBIQUITIN-LIKE
PROTEIN ISG15
(Homo
sapiens)		4 / 8
GLN C 110
LEU C 131
LEU C 137
THR C 101
1.49A15.07
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.
5HS6_A_J3ZA302_1
(17-BETA-HYDROXYSTERO
ID DEHYDROGENASE 14)		5tl6 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 8
GLN D 238
LEU D 174
LEU D 179
THR D 201
1.50A26.82
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.
3HM1_A_J3ZA2_1
(ESTROGEN RECEPTOR)		5tl7 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
MET B 170
LEU B 173
THR B 171
LEU B 133
MET B 244
1.54A22.02
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.
3HM1_A_J3ZA2_1
(ESTROGEN RECEPTOR)		5x29 ENVELOPE SMALL
MEMBRANE PROTEIN
(SARSr-CoV)		5 / 12
ALA A  22
LEU A  18
LEU A  19
LEU B  19
LEU E  18
1.57A16.67
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.
5HS6_A_J3ZA302_1
(17-BETA-HYDROXYSTERO
ID DEHYDROGENASE 14)		5x58 SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		4 / 8
TYR A 989
LEU A 749
LEU A 745
THR C 988
1.41A11.90
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.
5HS6_A_J3ZA302_1
(17-BETA-HYDROXYSTERO
ID DEHYDROGENASE 14)		5y3q REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		4 / 8
GLN A 238
LEU A 174
LEU A 179
THR A 201
1.54A26.47
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.
3HM1_A_J3ZA2_1
(ESTROGEN RECEPTOR)		5zvm PAN-COV INHIBITORY
PEPTIDE EK1
SPIKE GLYCOPROTEIN
(SARSr-CoV;
synthetic
construct)		6 / 12
THR A 923
ALA A 926
GLU c  21
LEU C 930
LEU c  18
LEU B 927
1.74A16.13
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.
5HS6_A_J3ZA302_1
(17-BETA-HYDROXYSTERO
ID DEHYDROGENASE 14)		6acg SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 8
TYR A 989
LEU A 749
LEU A 745
THR B 988
1.46A12.69
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.
3HM1_B_J3ZB1_1
(ESTROGEN RECEPTOR)		6acg SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 11
LEU C 804
LEU C 920
LEU C1045
GLY C1041
LEU C 930
1.78A12.10
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.
3HM1_A_J3ZA2_1
(ESTROGEN RECEPTOR)		6acj SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
MET C 107
ALA C 127
LEU C 194
LEU C 224
ARG A 453
1.56A12.10
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.
3HM1_B_J3ZB1_1
(ESTROGEN RECEPTOR)		6ack ACE2
(Homo
sapiens)		5 / 11
LEU D 320
MET D 557
LEU D 554
GLY D 395
HIS D 401
1.61A18.30
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.
3HM1_A_J3ZA2_1
(ESTROGEN RECEPTOR)		6crw SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
LEU B 374
THR B 372
ALA B 371
LEU B 499
LEU B 421
1.41A11.96
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.
5HS6_A_J3ZA302_1
(17-BETA-HYDROXYSTERO
ID DEHYDROGENASE 14)		6cs1 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 8
TYR B 989
LEU B 749
LEU B 745
THR A 988
1.51A12.21
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.
3HM1_B_J3ZB1_1
(ESTROGEN RECEPTOR)		6cs2 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 11
LEU B 804
LEU B 920
LEU B1045
GLY B1041
LEU B 930
1.76A11.96
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.
3HM1_B_J3ZB1_1
(ESTROGEN RECEPTOR)		6cs2 ACE2
(Homo
sapiens)		5 / 11
LEU D 266
LEU D 281
MET D 249
GLY D 260
LEU D 262
1.76A18.08
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.
3HM1_A_J3ZA2_1
(ESTROGEN RECEPTOR)		6cs2 ACE2
(Homo
sapiens)		5 / 12
LEU D 281
THR D 282
LEU D 262
LEU D 266
LEU D 444
1.35A18.08
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.
5HS6_A_J3ZA302_1
(17-BETA-HYDROXYSTERO
ID DEHYDROGENASE 14)		6iex MHC CLASS I ANTIGEN
(Homo
sapiens)		4 / 8
HIS A 260
GLN A 218
LEU A 272
THR A 228
1.49A21.72
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.
3HM1_A_J3ZA2_1
(ESTROGEN RECEPTOR)		6jyt HELICASE
(SARSr-CoV)		5 / 12
LEU A 138
THR A 137
ALA A 140
GLU A 143
LEU A 235
1.52A17.35
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.
3HM1_A_J3ZA2_1
(ESTROGEN RECEPTOR)		6lzg ACE2
(Homo
sapiens)		5 / 12
LEU A 281
THR A 282
LEU A 262
LEU A 266
LEU A 444
1.35A18.01
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.
3HM1_B_J3ZB1_1
(ESTROGEN RECEPTOR)		6m17 SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		5 / 11
MET A 502
LEU A 543
LEU A 541
GLY A  82
LEU A  85
1.78A17.59
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.
3HM1_A_J3ZA2_1
(ESTROGEN RECEPTOR)		6m1d ACE2
(Homo
sapiens)		5 / 12
LEU B  91
THR B  92
LEU B  97
LEU B  85
LEU B 392
1.39A16.28
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.
5HS6_A_J3ZA302_1
(17-BETA-HYDROXYSTERO
ID DEHYDROGENASE 14)		6nb6 SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 8
GLN C 992
TYR C 989
LEU C 745
THR A 991
1.34A12.18
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.
3HM1_B_J3ZB1_1
(ESTROGEN RECEPTOR)		6nur NSP12
NSP8
(SARSr-CoV)		5 / 11
MET B  90
LEU B  91
LEU A 366
GLU A 370
HIS A 381
1.72A21.71
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.
3HM1_B_J3ZB1_1
(ESTROGEN RECEPTOR)		6nur NSP12
(SARSr-CoV)		5 / 11
LEU A 351
GLU A 658
LEU A 663
ARG A 631
GLY A 327
1.66A14.11
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.
5HS6_A_J3ZA302_1
(17-BETA-HYDROXYSTERO
ID DEHYDROGENASE 14)		6nur NSP12
(SARSr)		4 / 8
GLN A 773
TYR A 770
LEU A 723
LEU A 707
1.44A14.01
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.
3HM1_A_J3ZA2_1
(ESTROGEN RECEPTOR)		6nus NSP12
NSP8
(SARSr-CoV)		5 / 12
LEU B 117
LEU A 401
LEU B  98
LEU A 673
MET A 666
1.61A21.71
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.
3HM1_A_J3ZA2_1
(ESTROGEN RECEPTOR)		6nus NSP12
(SARSr-CoV)		5 / 12
LEU A 862
ALA A 866
LEU A 885
LEU A 883
LEU A 908
1.50A14.11
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.
5HS6_A_J3ZA302_1
(17-BETA-HYDROXYSTERO
ID DEHYDROGENASE 14)		6w41 CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		4 / 8
GLN L 166
LEU L  78
LEU L  15
THR L 109
1.69A20.29
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.
3HM1_A_J3ZA2_1
(ESTROGEN RECEPTOR)		6w41 CR3022 FAB HEAVY
CHAIN
(Homo
sapiens)		5 / 12
MET H  40
THR H  87
LEU H  82
LEU H  18
LEU H  80
1.66A19.39
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.
3HM1_A_J3ZA2_1
(ESTROGEN RECEPTOR)		6yla HEAVY CHAIN
(Homo
sapiens)		5 / 12
MET B  40
THR B  91
LEU B  86
LEU B  18
LEU B  81
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.
5HS6_A_J3ZA302_1
(17-BETA-HYDROXYSTERO
ID DEHYDROGENASE 14)		6yla LIGHT CHAIN
(Homo
sapiens)		4 / 8
GLN L 172
LEU L  84
LEU L  15
THR L 115
1.75A19.15
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.
3HM1_A_J3ZA2_1
(ESTROGEN RECEPTOR)		6yla HEAVY CHAIN
(Homo
sapiens)		5 / 12
MET H  40
THR H  91
LEU H  86
LEU H  18
LEU H  81
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.
5HS6_A_J3ZA302_1
(17-BETA-HYDROXYSTERO
ID DEHYDROGENASE 14)		6yla LIGHT CHAIN
(Homo
sapiens)		4 / 8
GLN C 172
LEU C  84
LEU C  15
THR C 115
1.65A19.15
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.
5HS6_A_J3ZA302_1
(17-BETA-HYDROXYSTERO
ID DEHYDROGENASE 14)		6ym0 LIGHT CHAIN
(Homo
sapiens)		4 / 8
GLN L 172
LEU L  84
LEU L  15
THR L 115
1.68A19.15
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.
3HM1_A_J3ZA2_1
(ESTROGEN RECEPTOR)		6ym0 HEAVY CHAIN
(Homo
sapiens)		5 / 12
MET H  40
THR H  91
LEU H  86
LEU H  18
LEU H  81
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.
3HM1_A_J3ZA2_1
(ESTROGEN RECEPTOR)		6yor IGG H CHAIN
(Homo
sapiens)		5 / 12
MET B  40
THR B  91
LEU B  86
LEU B  18
LEU B  81
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.
3HM1_A_J3ZA2_1
(ESTROGEN RECEPTOR)		6yor IGG H CHAIN
(Homo
sapiens)		5 / 12
MET H  40
THR H  91
LEU H  86
LEU H  18
LEU H  81
1.67A
None