Ligand ID: PEM


Drugbank ID:
DB01393
(Bezafibrate)


Indication:
For the treatment of primary hyperlipidaemia types IIa, IIb, III, IV and V (Fredrickson classification) corresponding to groups I, II and III of the European Atherosclerosis Society guidelines - when diet alone or improvements in lifestyle such as increased exercise or weight reduction do not lead to an adequate response. Also for the treatment of secondary hyperlipidaemias, e.g. severe hypertriglyceridemias, when sufficient improvement does not occur after correction of the underlying disorder (e.g. diabetes mellitus).

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

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'PEM' 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.
1IWH_A_PEMA501_1
(HEMOGLOBIN ALPHA
CHAIN)		1z1j 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 6
ALA B1234
LYS B1269
ALA B1267
LEU B1208
1.39A18.15
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.
5X2S_I_PEMI202_1
(HEMOGLOBIN SUBUNIT
ALPHA
HEMOGLOBIN SUBUNIT
BETA)		2a5i 3C-LIKE PEPTIDASE
(SARSr-CoV)		4 / 8
THR A 257
THR A 304
PRO A 293
LYS A   1
1.35A20.00
21.77
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.
1IWH_A_PEMA501_1
(HEMOGLOBIN ALPHA
CHAIN)		2ajf ACE2
(Homo
sapiens)		4 / 6
LYS A 416
ASP A 543
ALA A 412
LEU A 370
1.37A13.40
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.
5X2T_I_PEMI202_1
(HEMOGLOBIN SUBUNIT
ALPHA
HEMOGLOBIN SUBUNIT
BETA)		2dd8 IGG HEAVY CHAIN
(Homo
sapiens)		4 / 8
PRO H  41
ALA H   9
THR H 110
THR H  87
1.37A20.90
22.59
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.
1IWH_A_PEMA501_1
(HEMOGLOBIN ALPHA
CHAIN)		2fe8 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 6
ALA C 247
ASP C 303
ALA C 262
LEU C 254
1.38A20.45
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.
5X2T_I_PEMI202_1
(HEMOGLOBIN SUBUNIT
ALPHA
HEMOGLOBIN SUBUNIT
BETA)		2ghw ANTI-SCFV ANTIBODY,
80R
(Homo
sapiens)		4 / 8
PRO B 228
ALA B 166
ALA B  33
TRP B 226
1.08A18.44
18.62
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.
5X2S_I_PEMI202_1
(HEMOGLOBIN SUBUNIT
ALPHA
HEMOGLOBIN SUBUNIT
BETA)		2ghw ANTI-SCFV ANTIBODY,
80R
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARSr-CoV)		4 / 8
PRO A 470
THR B 206
THR B 204
PRO A 462
1.67A22.44
22.22
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.
1IWH_A_PEMA501_1
(HEMOGLOBIN ALPHA
CHAIN)		2kqv NSP3
(SARSr-CoV)		4 / 6
ALA A  18
LYS A  23
ALA A 107
LEU A 105
1.43A23.30
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.
5X2S_I_PEMI202_1
(HEMOGLOBIN SUBUNIT
ALPHA
HEMOGLOBIN SUBUNIT
BETA)		2ofz NUCLEOCAPSID PROTEIN
(SARS-COV
Tor2)		4 / 8
PRO A  74
THR A 136
TYR A 113
PRO A  68
1.66A19.75
21.25
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.
5X2T_I_PEMI202_1
(HEMOGLOBIN SUBUNIT
ALPHA
HEMOGLOBIN SUBUNIT
BETA)		2og3 NUCLEOCAPSID PROTEIN
(SARS-COV
Tor2)		4 / 8
ALA A 120
THR A  50
TRP A 133
ALA A  91
1.33A19.75
21.25
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.
1IWH_A_PEMA501_1
(HEMOGLOBIN ALPHA
CHAIN)		2op9 REPLICASE
POLYPROTEIN 1AB
(PP1AB, ORF1AB)
3C-LIKE PROTEINASE
(3CL-PRO, 3CLP)
(SARSr-CoV)		4 / 6
ALA A 234
LYS A 269
ALA A 267
LEU A 208
1.49A17.48
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.
5X2S_I_PEMI202_1
(HEMOGLOBIN SUBUNIT
ALPHA
HEMOGLOBIN SUBUNIT
BETA)		2vj1 MAIN PROTEINASE
(SARSr-CoV)		4 / 8
THR A 111
THR A 292
PRO A   9
LYS A   2
1.61A16.84
22.02
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.
1IWH_A_PEMA501_1
(HEMOGLOBIN ALPHA
CHAIN)		2wct NSP3
(SARSr-CoV)		4 / 6
ALA A 540
LYS A 545
ALA A 629
LEU A 627
1.41A21.97
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.
1IWH_A_PEMA501_1
(HEMOGLOBIN ALPHA
CHAIN)		2xyq PUTATIVE 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		4 / 6
ALA A 204
LYS A 170
ASP A 130
LEU A  85
1.12A20.07
None
None
SAH  A1293 (-3.7A)
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.
1IWH_A_PEMA501_1
(HEMOGLOBIN ALPHA
CHAIN)		2xyr PUTATIVE 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		4 / 6
ALA A 204
LYS A 170
ASP A 130
LEU A  85
1.10A20.07
None
None
SFG  A1298 (-3.6A)
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.
5X2S_I_PEMI202_1
(HEMOGLOBIN SUBUNIT
ALPHA
HEMOGLOBIN SUBUNIT
BETA)		3bgf SPIKE PROTEIN S1
(SARSr-CoV)		4 / 8
PRO S 493
LYS S 390
THR S 487
TRP A 476
1.50A22.11
22.39
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.
1IWH_A_PEMA501_1
(HEMOGLOBIN ALPHA
CHAIN)		3d0g ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		4 / 6
LYS A 416
ASP A 543
ALA A 412
LEU A 370
1.45A13.40
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.
5X2T_I_PEMI202_1
(HEMOGLOBIN SUBUNIT
ALPHA
HEMOGLOBIN SUBUNIT
BETA)		3d0h ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		4 / 8
PRO A 336
ALA A 304
THR A 362
TRP A 328
1.17A11.93
14.04
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.
1IWH_A_PEMA501_1
(HEMOGLOBIN ALPHA
CHAIN)		3e9s NSP3
(SARSr-CoV)		4 / 6
ALA A 247
ASP A 303
ALA A 262
LEU A 254
1.39A20.26
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.
1IWH_A_PEMA501_1
(HEMOGLOBIN ALPHA
CHAIN)		3ea7 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 6
ALA B 285
ASP B 216
ALA B 211
LEU B 208
1.46A17.92
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.
5X2S_I_PEMI202_1
(HEMOGLOBIN SUBUNIT
ALPHA
HEMOGLOBIN SUBUNIT
BETA)		3ea8 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 8
THR A 257
THR A 304
PRO A 293
LYS A   1
1.41A21.79
22.01
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.
1IWH_A_PEMA501_1
(HEMOGLOBIN ALPHA
CHAIN)		3eaj 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 6
ALA B 234
LYS B 269
ALA B 267
LEU B 208
1.45A17.59
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.
1IWH_A_PEMA501_1
(HEMOGLOBIN ALPHA
CHAIN)		3f9h 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 6
ALA B 129
ASP B 197
ALA B 194
LEU B 167
1.41A16.99
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.
5X2S_I_PEMI202_1
(HEMOGLOBIN SUBUNIT
ALPHA
HEMOGLOBIN SUBUNIT
BETA)		3f9h 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 8
THR A 111
THR A 292
PRO A   9
LYS A   2
1.57A17.55
21.40
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.
1IWH_A_PEMA501_1
(HEMOGLOBIN ALPHA
CHAIN)		3m3v 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 6
ALA B 129
ASP B 197
ALA B 194
LEU B 167
1.42A17.80
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.
1IWH_A_PEMA501_1
(HEMOGLOBIN ALPHA
CHAIN)		3r24 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		4 / 6
ALA A 204
LYS A 170
ASP A 130
LEU A  85
1.16A19.38
None
SAM  A 302 (-3.1A)
SAM  A 302 (-3.6A)
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.
1IWH_A_PEMA501_1
(HEMOGLOBIN ALPHA
CHAIN)		3scl ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		4 / 6
LYS A 416
ASP A 543
ALA A 412
LEU A 370
1.42A13.42
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.
5X2T_I_PEMI202_1
(HEMOGLOBIN SUBUNIT
ALPHA
HEMOGLOBIN SUBUNIT
BETA)		3scl ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		4 / 8
PRO A 336
ALA A 304
THR A 362
TRP A 328
1.14A11.93
13.60
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.
1IWH_A_PEMA501_1
(HEMOGLOBIN ALPHA
CHAIN)		4m0w REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		4 / 6
ALA A 247
ASP A 303
ALA A 262
LEU A 254
1.39A20.13
None
None
None
GOL  A 406 (-4.7A)
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.
1IWH_A_PEMA501_1
(HEMOGLOBIN ALPHA
CHAIN)		4ow0 PAPAIN-LIKE PROTEASE
(SARS-COV
Urbani)		4 / 6
ALA B 247
ASP B 303
ALA B 262
LEU B 254
1.33A20.26
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.
5X2S_I_PEMI202_1
(HEMOGLOBIN SUBUNIT
ALPHA
HEMOGLOBIN SUBUNIT
BETA)		4tww 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 8
THR A 257
THR A 304
PRO A 293
LYS A   1
1.41A20.00
21.77
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.
1IWH_A_PEMA501_1
(HEMOGLOBIN ALPHA
CHAIN)		4wy3 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 6
ALA A 234
LYS A 269
ALA A 267
LEU A 208
1.45A17.59
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.
1IWH_A_PEMA501_1
(HEMOGLOBIN ALPHA
CHAIN)		5b6o 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 6
ALA A 129
ASP A 197
ALA A 194
LEU A 167
1.28A18.42
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.
5X2S_I_PEMI202_1
(HEMOGLOBIN SUBUNIT
ALPHA
HEMOGLOBIN SUBUNIT
BETA)		5c8s GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		4 / 8
PRO B 393
THR B 378
TYR B 368
PRO B 327
1.65A15.54
15.15
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.
5X2T_I_PEMI202_1
(HEMOGLOBIN SUBUNIT
ALPHA
HEMOGLOBIN SUBUNIT
BETA)		5c8t GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		4 / 8
PRO B 121
THR B 134
THR B 122
ALA B 100
1.33A15.54
15.15
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.
5X2S_I_PEMI202_1
(HEMOGLOBIN SUBUNIT
ALPHA
HEMOGLOBIN SUBUNIT
BETA)		5c8u GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		4 / 8
PRO B 393
THR B 378
TYR B 368
PRO B 327
1.56A15.54
15.15
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.
1IWH_A_PEMA501_1
(HEMOGLOBIN ALPHA
CHAIN)		5e6j REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 6
ALA D 247
ASP D 303
ALA D 262
LEU D 254
1.27A20.13
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.
5X2S_I_PEMI202_1
(HEMOGLOBIN SUBUNIT
ALPHA
HEMOGLOBIN SUBUNIT
BETA)		5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)		4 / 8
PRO N  23
LYS N  25
PRO B  70
LYS B 196
1.61A21.05
20.37
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.
5X2T_I_PEMI202_1
(HEMOGLOBIN SUBUNIT
ALPHA
HEMOGLOBIN SUBUNIT
BETA)		5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)		4 / 8
PRO B 121
THR B 134
THR B 122
ALA B 100
1.35A15.54
16.36
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.
1IWH_A_PEMA501_1
(HEMOGLOBIN ALPHA
CHAIN)		5tl6 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 6
ALA B 247
ASP B 303
ALA B 262
LEU B 254
1.30A19.94
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.
5X2S_I_PEMI202_1
(HEMOGLOBIN SUBUNIT
ALPHA
HEMOGLOBIN SUBUNIT
BETA)		5x4s SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 8
PRO A  61
THR A 261
THR A 260
PRO A 282
1.55A21.09
17.57
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.
5X2T_I_PEMI202_1
(HEMOGLOBIN SUBUNIT
ALPHA
HEMOGLOBIN SUBUNIT
BETA)		5x4s SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 8
PRO A  28
ALA A 251
THR A  71
THR A  75
1.15A21.09
17.57
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.
1IWH_A_PEMA501_1
(HEMOGLOBIN ALPHA
CHAIN)		5x58 SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		4 / 6
ALA B 683
LYS C 768
ALA C 765
LEU C 847
1.34A8.53
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.
5X2T_I_PEMI202_1
(HEMOGLOBIN SUBUNIT
ALPHA
HEMOGLOBIN SUBUNIT
BETA)		5x58 SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		4 / 8
PRO B  28
ALA B 251
THR B  71
THR B  75
1.23A8.45
8.75
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.
5X2S_I_PEMI202_1
(HEMOGLOBIN SUBUNIT
ALPHA
HEMOGLOBIN SUBUNIT
BETA)		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		4 / 8
THR A  71
THR A  75
PRO A 136
LYS A 244
1.50A8.45
8.75
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.
5X2T_I_PEMI202_1
(HEMOGLOBIN SUBUNIT
ALPHA
HEMOGLOBIN SUBUNIT
BETA)		5xlr SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 8
PRO C  61
THR C 261
THR C 260
ALA C 284
1.37A8.24
8.64
PRO  C  61 ( 1.1A)
THR  C 261 ( 0.8A)
THR  C 260 ( 0.8A)
ALA  C 284 ( 0.0A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1IWH_A_PEMA501_1
(HEMOGLOBIN ALPHA
CHAIN)		5xlr SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 6
LYS B 968
ASP B 967
ALA B 971
LEU B 963
1.49A8.66
LYS  B 968 ( 0.0A)
ASP  B 967 ( 0.5A)
ALA  B 971 ( 0.0A)
LEU  B 963 ( 0.6A)
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.
1IWH_A_PEMA501_1
(HEMOGLOBIN ALPHA
CHAIN)		5y3e REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		4 / 6
ALA A 247
ASP A 303
ALA A 262
LEU A 254
1.41A19.94
None
None
None
GOL  A 407 (-4.7A)
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.
1IWH_A_PEMA501_1
(HEMOGLOBIN ALPHA
CHAIN)		6acd SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 6
ALA B 683
LYS A 768
ALA A 765
LEU A 847
1.14A8.66
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.
5X2T_I_PEMI202_1
(HEMOGLOBIN SUBUNIT
ALPHA
HEMOGLOBIN SUBUNIT
BETA)		6acj SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 8
PRO B  61
THR B 261
THR B 260
ALA B 618
1.16A8.24
8.64
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.
5X2S_I_PEMI202_1
(HEMOGLOBIN SUBUNIT
ALPHA
HEMOGLOBIN SUBUNIT
BETA)		6acj SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 8
PRO B  61
THR B 261
THR B 260
PRO B 282
1.54A8.24
8.64
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.
5X2T_I_PEMI202_1
(HEMOGLOBIN SUBUNIT
ALPHA
HEMOGLOBIN SUBUNIT
BETA)		6crv SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 8
PRO B  28
ALA B 251
THR B  71
THR B  75
1.30A8.19
8.85
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.
5X2S_I_PEMI202_1
(HEMOGLOBIN SUBUNIT
ALPHA
HEMOGLOBIN SUBUNIT
BETA)		6crv SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 8
PRO C  61
THR C 261
THR C 260
PRO C 282
1.68A8.19
8.85
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.
5X2S_I_PEMI202_1
(HEMOGLOBIN SUBUNIT
ALPHA
HEMOGLOBIN SUBUNIT
BETA)		6cs1 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 8
PRO C 259
THR C 261
TRP C 619
PRO C 617
1.45A8.19
8.85
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.
5X2T_I_PEMI202_1
(HEMOGLOBIN SUBUNIT
ALPHA
HEMOGLOBIN SUBUNIT
BETA)		6cs2 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 8
PRO B  61
THR B 261
THR B 260
ALA B 618
1.08A8.19
8.85
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.
5X2T_I_PEMI202_1
(HEMOGLOBIN SUBUNIT
ALPHA
HEMOGLOBIN SUBUNIT
BETA)		6cs2 ACE2
(Homo
sapiens)		4 / 8
PRO D 336
ALA D 304
THR D 362
TRP D 328
1.30A11.41
13.98
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.
1IWH_A_PEMA501_1
(HEMOGLOBIN ALPHA
CHAIN)		6cs2 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 6
ALA B 654
ASP C 850
ALA C 854
LEU B 681
1.36A8.50
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.
5X2T_I_PEMI202_1
(HEMOGLOBIN SUBUNIT
ALPHA
HEMOGLOBIN SUBUNIT
BETA)		6jyt HELICASE
(SARSr-CoV)		4 / 8
ALA A 362
THR A 359
THR A 307
ALA A 316
1.26A15.61
14.97
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.
5X2T_I_PEMI202_1
(HEMOGLOBIN SUBUNIT
ALPHA
HEMOGLOBIN SUBUNIT
BETA)		6jyt HELICASE
(SARSr)		4 / 8
PRO B 364
ALA B 393
THR B 367
THR B 366
1.42A15.61
14.97
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.
1IWH_A_PEMA501_1
(HEMOGLOBIN ALPHA
CHAIN)		6jyt HELICASE
(SARSr)		4 / 6
ALA A 296
ASP A 369
ALA A 368
LEU A 391
1.45A15.99
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.
1IWH_A_PEMA501_1
(HEMOGLOBIN ALPHA
CHAIN)		6jyt HELICASE
(SARSr-CoV)		4 / 6
ALA B 296
ASP B 369
ALA B 368
LEU B 391
1.41A15.99
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.
5X2T_I_PEMI202_1
(HEMOGLOBIN SUBUNIT
ALPHA
HEMOGLOBIN SUBUNIT
BETA)		6jyt HELICASE
(SARSr)		4 / 8
ALA B 362
THR B 359
THR B 307
ALA B 316
1.32A15.61
14.97
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.
5X2T_I_PEMI202_1
(HEMOGLOBIN SUBUNIT
ALPHA
HEMOGLOBIN SUBUNIT
BETA)		6m0j ACE2
(Homo
sapiens)		4 / 8
PRO A 336
ALA A 304
THR A 362
TRP A 328
1.15A11.41
13.43
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.
1IWH_A_PEMA501_1
(HEMOGLOBIN ALPHA
CHAIN)		6m0j ACE2
(Homo
sapiens)		4 / 6
LYS A 416
ASP A 543
ALA A 412
LEU A 370
1.43A13.42
None
NAG  A 903 ( 4.5A)
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.
5X2T_I_PEMI202_1
(HEMOGLOBIN SUBUNIT
ALPHA
HEMOGLOBIN SUBUNIT
BETA)		6m18 ACE2
(Homo
sapiens)		4 / 8
PRO B 336
ALA B 304
THR B 362
TRP B 328
1.18A11.73
11.94
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.
5X2S_I_PEMI202_1
(HEMOGLOBIN SUBUNIT
ALPHA
HEMOGLOBIN SUBUNIT
BETA)		6m1d ACE2
(Homo
sapiens)		4 / 8
PRO D 389
TRP D 566
PRO D 565
LYS D  26
1.61A11.73
11.94
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.
5X2T_I_PEMI202_1
(HEMOGLOBIN SUBUNIT
ALPHA
HEMOGLOBIN SUBUNIT
BETA)		6nb8 S230 ANTIGEN-BINDING
(FAB) FRAGMENT,
LIGHT CHAIN
(Homo
sapiens)		5 / 8
PRO L 209
ALA L 117
THR L 202
LYS L 154
ALA L 198
1.58A20.00
21.52
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.
5X2T_I_PEMI202_1
(HEMOGLOBIN SUBUNIT
ALPHA
HEMOGLOBIN SUBUNIT
BETA)		6nur NSP12
(SARSr)		4 / 8
ALA A 376
THR A 538
TRP A 509
ALA A 558
1.37A9.59
9.97
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.
1IWH_A_PEMA501_1
(HEMOGLOBIN ALPHA
CHAIN)		6nus NSP12
(SARSr-CoV)		4 / 6
ALA A 797
LYS A 798
ASP A 618
LEU A 786
1.38A9.61
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.
5X2T_I_PEMI202_1
(HEMOGLOBIN SUBUNIT
ALPHA
HEMOGLOBIN SUBUNIT
BETA)		6vw1 ACE2
(Homo
sapiens)		4 / 8
PRO B 336
ALA B 304
THR B 362
TRP B 328
1.14A11.41
14.39
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.
5X2T_I_PEMI202_1
(HEMOGLOBIN SUBUNIT
ALPHA
HEMOGLOBIN SUBUNIT
BETA)		6w41 CR3022 FAB HEAVY
CHAIN
(Homo
sapiens)		4 / 8
PRO H  41
THR H 110
THR H  87
ALA H 168
1.70A21.89
20.47
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.
5X2T_I_PEMI202_1
(HEMOGLOBIN SUBUNIT
ALPHA
HEMOGLOBIN SUBUNIT
BETA)		6w41 CR3022 FAB HEAVY
CHAIN
(Homo
sapiens)		4 / 8
PRO H 147
ALA H  84
THR H 110
ALA H 168
1.79A21.89
20.47
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.
5X2T_I_PEMI202_1
(HEMOGLOBIN SUBUNIT
ALPHA
HEMOGLOBIN SUBUNIT
BETA)		6w41 CR3022 FAB HEAVY
CHAIN
(Homo
sapiens)		4 / 8
ALA H  84
THR H  87
THR H 110
ALA H 168
1.56A21.89
20.47
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.
5X2S_I_PEMI202_1
(HEMOGLOBIN SUBUNIT
ALPHA
HEMOGLOBIN SUBUNIT
BETA)		6w41 CR3022 FAB HEAVY
CHAIN
CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		4 / 8
PRO H  41
THR H 108
TRP H 103
PRO L  44
1.72A21.89
20.47
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.
5X2T_I_PEMI202_1
(HEMOGLOBIN SUBUNIT
ALPHA
HEMOGLOBIN SUBUNIT
BETA)		6w41 CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		5 / 8
PRO L 204
ALA L 112
THR L 197
LYS L 149
ALA L 193
1.61A22.70
23.93
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.
1IWH_A_PEMA501_1
(HEMOGLOBIN ALPHA
CHAIN)		6y7m Replicase
polyprotein 1a
(SARSr-CoV)		4 / 6
ALA A 234
LYS A 269
ALA A 267
LEU A 208
1.45A17.59
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.
5X2T_I_PEMI202_1
(HEMOGLOBIN SUBUNIT
ALPHA
HEMOGLOBIN SUBUNIT
BETA)		6yla LIGHT CHAIN
(Homo
sapiens)		5 / 8
PRO L 210
ALA L 118
THR L 203
LYS L 155
ALA L 199
1.65A
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.
5X2T_I_PEMI202_1
(HEMOGLOBIN SUBUNIT
ALPHA
HEMOGLOBIN SUBUNIT
BETA)		6yla HEAVY CHAIN
(Homo
sapiens)		4 / 8
PRO H 151
ALA H  88
THR H  91
THR H 116
1.55A
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.
5X2S_I_PEMI202_1
(HEMOGLOBIN SUBUNIT
ALPHA
HEMOGLOBIN SUBUNIT
BETA)		6yla HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		4 / 8
PRO H  41
THR H 114
TRP H 109
PRO L  50
1.76A24.51
19.56
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.
5X2T_I_PEMI202_1
(HEMOGLOBIN SUBUNIT
ALPHA
HEMOGLOBIN SUBUNIT
BETA)		6yla LIGHT CHAIN
(Homo
sapiens)		5 / 8
PRO C 210
ALA C 118
THR C 203
LYS C 155
ALA C 199
1.65A
None
None
None
None
MLI  C 304 ( 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.
5X2S_I_PEMI202_1
(HEMOGLOBIN SUBUNIT
ALPHA
HEMOGLOBIN SUBUNIT
BETA)		6yla HEAVY CHAIN
(Homo
sapiens)		4 / 8
LYS H  13
THR H  91
TYR H  94
PRO H 206
1.52A24.51
19.56
None
None
None
DMS  H 303 ( 4.7A)
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.
5X2T_I_PEMI202_1
(HEMOGLOBIN SUBUNIT
ALPHA
HEMOGLOBIN SUBUNIT
BETA)		6ym0 LIGHT CHAIN
(Homo
sapiens)		5 / 8
PRO L 210
ALA L 118
THR L 203
LYS L 155
ALA L 199
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.
5X2S_I_PEMI202_1
(HEMOGLOBIN SUBUNIT
ALPHA
HEMOGLOBIN SUBUNIT
BETA)		6ym0 HEAVY CHAIN
(Homo
sapiens)		4 / 8
LYS H  13
THR H  91
TYR H  94
PRO H 206
1.42A24.51
19.56
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.
5X2T_I_PEMI202_1
(HEMOGLOBIN SUBUNIT
ALPHA
HEMOGLOBIN SUBUNIT
BETA)		6yor IGG L CHAIN
(Homo
sapiens)		5 / 8
PRO L 210
ALA L 118
THR L 203
LYS L 155
ALA L 199
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.
5X2T_I_PEMI202_1
(HEMOGLOBIN SUBUNIT
ALPHA
HEMOGLOBIN SUBUNIT
BETA)		6yor IGG H CHAIN
(Homo
sapiens)		4 / 8
PRO H 151
ALA H  88
THR H  91
THR H 116
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.
5X2T_I_PEMI202_1
(HEMOGLOBIN SUBUNIT
ALPHA
HEMOGLOBIN SUBUNIT
BETA)		6yor IGG L CHAIN
(Homo
sapiens)		5 / 8
PRO C 210
ALA C 118
THR C 203
LYS C 155
ALA C 199
1.65A
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.
5X2S_I_PEMI202_1
(HEMOGLOBIN SUBUNIT
ALPHA
HEMOGLOBIN SUBUNIT
BETA)		6yor IGG H CHAIN
IGG L CHAIN
(Homo
sapiens)		4 / 8
PRO B  41
THR B 114
TRP B 109
PRO C  50
1.76A24.51
19.56
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.
5X2S_I_PEMI202_1
(HEMOGLOBIN SUBUNIT
ALPHA
HEMOGLOBIN SUBUNIT
BETA)		6yor IGG H CHAIN
(Homo
sapiens)		4 / 8
LYS B  13
THR B  91
TYR B  94
PRO B 206
1.48A24.51
19.56
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.
5X2T_I_PEMI202_1
(HEMOGLOBIN SUBUNIT
ALPHA
HEMOGLOBIN SUBUNIT
BETA)		6yor IGG H CHAIN
(Homo
sapiens)		4 / 8
PRO B 151
ALA B  88
THR B  91
THR B 116
1.55A
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.
5X2S_I_PEMI202_1
(HEMOGLOBIN SUBUNIT
ALPHA
HEMOGLOBIN SUBUNIT
BETA)		6yor IGG H CHAIN
(Homo
sapiens)		4 / 8
LYS H  13
THR H  91
TYR H  94
PRO H 206
1.57A24.51
19.56
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.
5X2S_I_PEMI202_1
(HEMOGLOBIN SUBUNIT
ALPHA
HEMOGLOBIN SUBUNIT
BETA)		6yor IGG H CHAIN
IGG L CHAIN
(Homo
sapiens)		4 / 8
PRO H  41
THR H 114
TRP H 109
PRO L  50
1.77A24.51
19.56
None