Ligand ID: AOQ


Drugbank ID:
DB01117
(Atovaquone)


Indication:
For the treatment or prevention of Pneumocystis carinii pneumonia in patients who are intolerant to trimethoprim-sulfamethoxazole (TMP-SMX). Also indicated for the acute oral treatment of mild to moderate PCP in patients who are intolerant to TMP-SMX.

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

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

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.
4PD4_C_AOQC4003_1
(CYTOCHROME B)		1uk2 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
GLY B 109
ILE B 249
PRO B 293
LEU B 205
ILE B 281
1.47A22.44
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.
4PD4_C_AOQC4003_1
(CYTOCHROME B)		1wof 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
GLY A 109
ILE A 249
PRO A 293
LEU A 205
ILE A 281
1.52A22.71
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.
4PD4_C_AOQC4003_1
(CYTOCHROME B)		1x7q BETA-2-MICROGLOBULIN
(Homo
sapiens)		5 / 12
VAL B  37
ILE B   7
PRO B   5
PHE B  62
LEU B  64
1.22A12.67
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.
4PD4_C_AOQC4003_1
(CYTOCHROME B)		2ajf ACE2
(Homo
sapiens)		5 / 12
ILE A 446
PRO A 451
LEU A 450
TYR A 237
LEU A 236
1.41A20.96
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.
4PD4_C_AOQC4003_1
(CYTOCHROME B)		2gdt NSP1 (EC 3.4.22.-)
P65 HOMOLOG
LEADER PROTEIN
(SARSr)		5 / 12
PHE A  59
GLY A  83
PRO A  56
PHE A  20
LEU A  28
1.49A15.28
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.
4PD4_C_AOQC4003_1
(CYTOCHROME B)		2h85 PUTATIVE ORF1AB
POLYPROTEIN
(SARSr-CoV)		5 / 12
GLY A 140
VAL A  77
ILE A 143
LEU A 189
TYR A 178
1.49A20.10
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.
4PD4_C_AOQC4003_1
(CYTOCHROME B)		2jze REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		6 / 12
GLY A 572
VAL A 574
ILE A 573
ILE A 549
PRO A 548
LEU A 546
1.79A16.71
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.
4PD4_C_AOQC4003_1
(CYTOCHROME B)		2ozk URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		5 / 12
GLY A  37
LEU D 331
PHE D 329
LEU B 245
ILE D 295
1.47A21.05
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PD4_C_AOQC4003_1
(CYTOCHROME B)		2rhb URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		5 / 12
GLY A 140
VAL A  77
ILE A 143
LEU A 189
TYR A 178
1.45A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PD4_C_AOQC4003_1
(CYTOCHROME B)		3d0g ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 12
VAL B 293
ILE B 291
ILE B 421
LEU B 370
ILE B 446
1.33A21.11
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.
4PD4_C_AOQC4003_1
(CYTOCHROME B)		3i6g BETA-2-MICROGLOBULIN
(Homo
sapiens)		5 / 12
VAL E  37
ILE E   7
PRO E   5
PHE E  62
LEU E  64
1.18A12.40
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.
4PD4_C_AOQC4003_1
(CYTOCHROME B)		3sck SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
GLY E 326
VAL E 328
ILE E 345
LEU E 355
PHE E 364
1.47A19.38
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PD4_C_AOQC4003_1
(CYTOCHROME B)		3sck ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 12
VAL B 293
ILE B 291
ILE B 421
LEU B 370
ILE B 446
1.34A20.41
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PD4_C_AOQC4003_1
(CYTOCHROME B)		5rfc 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 12
GLY A 109
ILE A 249
PRO A 293
LEU A 205
ILE A 281
1.65A16.33
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.
4PD4_C_AOQC4003_1
(CYTOCHROME B)		5rfc 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 12
GLY A 109
ILE A 200
ILE A 249
PRO A 293
LEU A 205
1.73A16.33
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.
4PD4_C_AOQC4003_1
(CYTOCHROME B)		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		5 / 12
GLY C 326
VAL C 328
ILE C 345
LEU C 355
PHE C 364
1.50A14.88
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.
4PD4_C_AOQC4003_1
(CYTOCHROME B)		5x5f S PROTEIN
(MERS-CoV)		5 / 12
GLY A 572
ILE A 480
ILE A 442
LEU A 388
LEU A 411
1.52A15.23
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PD4_C_AOQC4003_1
(CYTOCHROME B)		5zvm PAN-COV INHIBITORY
PEPTIDE EK1
SPIKE GLYCOPROTEIN
(SARSr-CoV;
synthetic
construct)		5 / 12
VAL A 897
LEU C 898
TYR C 899
LEU c  39
ILE B 905
1.46A12.07
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.
4PD4_C_AOQC4003_1
(CYTOCHROME B)		6acd SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
GLY A1113
VAL A1111
ILE A1112
ILE A1063
ILE C 905
1.34A15.77
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.
4PD4_C_AOQC4003_1
(CYTOCHROME B)		6acj ACE2
(Homo
sapiens)		5 / 12
ILE D 446
PRO D 451
LEU D 450
TYR D 237
LEU D 236
1.44A20.26
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.
4PD4_C_AOQC4003_1
(CYTOCHROME B)		6cs1 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
GLY B 625
ILE B 610
LEU B 636
TYR B 598
ILE B 650
1.25A15.75
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.
4PD4_C_AOQC4003_1
(CYTOCHROME B)		6jyt HELICASE
(SARSr-CoV)		5 / 12
GLY B 494
VAL B 496
PHE B 546
LEU B 573
ILE B 512
1.49A21.01
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.
4PD4_C_AOQC4003_1
(CYTOCHROME B)		6m17 RECEPTOR BINDING
DOMAIN
(SARS-CoV-2)		5 / 12
PHE E 464
VAL E 512
PRO E 412
PHE E 429
TYR E 380
1.47A22.34
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PD4_C_AOQC4003_1
(CYTOCHROME B)		6m18 ACE2
SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		5 / 12
GLY D 756
ILE D 753
ILE D 761
TYR C 209
ILE C 133
1.00A19.12
None
None
3PH  C 707 ( 4.4A)
3PH  C 707 ( 4.3A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PD4_C_AOQC4003_1
(CYTOCHROME B)		6m18 SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		5 / 12
GLY A 591
ILE A 588
ILE A 492
LEU A 484
ILE A 472
1.31A22.21
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.
4PD4_C_AOQC4003_1
(CYTOCHROME B)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 12
GLY B 215
VAL B 212
ILE B 213
LEU B 282
PHE B 291
1.55A23.14
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PD4_C_AOQC4003_1
(CYTOCHROME B)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 12
GLY D 109
ILE D 249
PRO D 293
LEU D 205
ILE D 281
1.56A23.14
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PD4_C_AOQC4003_1
(CYTOCHROME B)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 12
GLY A 124
VAL A 125
PHE C 112
LEU C 115
ILE C 136
1.71A23.14
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PD4_C_AOQC4003_1
(CYTOCHROME B)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 12
VAL C 202
ILE C 200
ILE C 249
PHE C 112
ILE C 136
1.76A23.14
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PD4_C_AOQC4003_1
(CYTOCHROME B)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 12
GLY D 109
ILE D 200
ILE D 249
PRO D 293
LEU D 205
1.64A23.14
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PD4_C_AOQC4003_1
(CYTOCHROME B)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 12
GLY C 124
VAL C 125
PHE A 112
LEU A 115
ILE A 136
1.73A23.14
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PD4_C_AOQC4003_1
(CYTOCHROME B)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 12
GLY B 124
VAL B 125
PHE D 112
LEU D 115
ILE D 136
1.71A23.14
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PD4_C_AOQC4003_1
(CYTOCHROME B)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 12
GLY D 124
VAL D 125
PHE B 112
LEU B 115
ILE B 136
1.74A23.14
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PD4_C_AOQC4003_1
(CYTOCHROME B)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 12
GLY D 215
VAL D 212
ILE D 213
LEU D 282
PHE D 291
1.63A23.14
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PD4_C_AOQC4003_1
(CYTOCHROME B)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 12
GLY A 215
VAL A 212
ILE A 213
LEU A 282
PHE A 291
1.58A23.14
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PD4_C_AOQC4003_1
(CYTOCHROME B)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 12
GLY A 275
ILE A 281
LEU A 286
LEU C 286
ILE C 281
1.65A23.14
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PD4_C_AOQC4003_1
(CYTOCHROME B)		6m71 NSP12
(SARS-CoV-2)		5 / 12
VAL A 405
ILE A 450
LEU A 673
TYR A 674
LEU A 388
1.62A16.04
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.
4PD4_C_AOQC4003_1
(CYTOCHROME B)		6m71 NSP12
(SARS-CoV-2)		5 / 12
GLY A 670
VAL A 405
ILE A 450
LEU A 673
LEU A 388
1.59A16.04
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.
4PD4_C_AOQC4003_1
(CYTOCHROME B)		6nur NSP12
(SARSr-CoV)		5 / 12
GLY A 670
VAL A 405
ILE A 450
LEU A 673
LEU A 388
1.51A15.45
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.
4PD4_C_AOQC4003_1
(CYTOCHROME B)		6nur NSP8
(SARSr-CoV)		5 / 12
GLY D 113
VAL D 115
PRO D 183
LEU D 117
ILE D 156
1.50A17.36
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.
4PD4_C_AOQC4003_1
(CYTOCHROME B)		6vsb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
ILE C 818
ILE C 726
LEU C1063
PHE C1052
ILE C 882
1.41A13.81
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.
4PD4_C_AOQC4003_1
(CYTOCHROME B)		6vw1 SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
GLY F 339
VAL F 341
ILE F 358
LEU F 368
PHE F 377
1.49A21.34
NAG  F 601 (-3.6A)
None
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.
4PD4_C_AOQC4003_1
(CYTOCHROME B)		6vxs NSP3
(SARS-CoV-2)		5 / 12
ILE B  18
ILE B  23
PRO B 125
LEU B 126
ILE B 137
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.
4PD4_C_AOQC4003_1
(CYTOCHROME B)		6vxs NSP3
(SARS-CoV-2)		5 / 12
PHE B 116
VAL B 151
PRO B 125
LEU B 127
LEU B 140
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.
4PD4_C_AOQC4003_1
(CYTOCHROME B)		6vxs NSP3
(SARS-CoV-2)		5 / 12
ILE A  18
ILE A  23
PRO A 125
LEU A 126
ILE A 137
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.
4PD4_C_AOQC4003_1
(CYTOCHROME B)		6vxs NSP3
(SARS-CoV-2)		5 / 12
PHE A 116
VAL A 151
PRO A 125
LEU A 127
LEU A 140
1.62A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PD4_C_AOQC4003_1
(CYTOCHROME B)		6vyb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
GLY B1131
VAL B1129
ILE B1130
PHE C 898
LEU C 916
1.40A14.21
NAG  B1310 (-3.5A)
None
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.
4PD4_C_AOQC4003_1
(CYTOCHROME B)		6w41 SPIKE PROTEIN S1
(SARS-CoV-2)		5 / 12
PHE C 515
GLY C 431
PRO C 384
LEU C 387
LEU C 368
1.23A18.87
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.
4PD4_C_AOQC4003_1
(CYTOCHROME B)		6w41 CR3022 FAB LIGHT
CHAIN
SPIKE PROTEIN S1
(Homo
sapiens;
SARS-CoV-2)		5 / 12
PHE C 464
VAL C 512
PRO C 412
TYR C 380
ILE L  28
1.28A18.87
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.
4PD4_C_AOQC4003_1
(CYTOCHROME B)		6w41 CR3022 FAB HEAVY
CHAIN
SPIKE PROTEIN S1
(Homo
sapiens;
SARS-CoV-2)		5 / 12
GLY C 339
VAL C 341
ILE C 358
LEU C 368
ILE H  30
1.45A18.87
NAG  C 601 ( 4.0A)
None
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.
4PD4_C_AOQC4003_1
(CYTOCHROME B)		6w63 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 12
GLY A 109
ILE A 249
PRO A 293
LEU A 205
ILE A 281
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.
4PD4_C_AOQC4003_1
(CYTOCHROME B)		6w63 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 12
GLY A 109
ILE A 200
ILE A 249
PRO A 293
LEU A 205
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.
4PD4_C_AOQC4003_1
(CYTOCHROME B)		6w6y NSP3
(SARS-CoV-2)		5 / 12
PHE B 116
VAL B 151
PRO B 125
LEU B 127
LEU B 140
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.
4PD4_C_AOQC4003_1
(CYTOCHROME B)		6w6y NSP3
(SARS-CoV-2)		5 / 12
ILE B  18
ILE B  23
PRO B 125
LEU B 126
ILE B 137
1.77A17.18
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.
4PD4_C_AOQC4003_1
(CYTOCHROME B)		6w6y NSP3
(SARS-CoV-2)		5 / 12
PHE A 116
VAL A 151
PRO A 125
LEU A 127
LEU A 140
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.
4PD4_C_AOQC4003_1
(CYTOCHROME B)		6w6y NSP3
(SARS-CoV-2)		5 / 12
ILE A  18
ILE A  23
PRO A 125
LEU A 126
ILE A 137
1.75A
None
AMP  A 201 ( 4.0A)
None
AMP  A 201 ( 4.4A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PD4_C_AOQC4003_1
(CYTOCHROME B)		6wcf NSP3
(SARS-CoV-2)		5 / 12
PHE A 116
VAL A 151
PRO A 125
LEU A 127
LEU A 140
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.
4PD4_C_AOQC4003_1
(CYTOCHROME B)		6wen NSP3
(SARS-CoV-2)		5 / 12
ILE A  18
ILE A  23
PRO A 125
LEU A 126
ILE A 137
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.
4PD4_C_AOQC4003_1
(CYTOCHROME B)		6wey NSP3
(SARS-CoV-2)		5 / 12
ILE A 222
ILE A 227
PRO A 329
LEU A 330
ILE A 341
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.
4PD4_C_AOQC4003_1
(CYTOCHROME B)		6wey NSP3
(SARS-CoV-2)		5 / 12
PHE A 320
VAL A 355
PRO A 329
LEU A 331
LEU A 344
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.
4PD4_C_AOQC4003_1
(CYTOCHROME B)		6wiq NSP8
(SARS-CoV-2)		5 / 12
GLY B 113
VAL B 115
PRO B 183
LEU B 117
ILE B 156
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.
4PD4_C_AOQC4003_1
(CYTOCHROME B)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 12
VAL A6894
ILE A6866
LEU A6924
LEU A6892
ILE A7079
1.74A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PD4_C_AOQC4003_1
(CYTOCHROME B)		6wkp NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		5 / 12
PHE C 110
GLY C  85
VAL C 133
ILE C 130
LEU C  64
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.
4PD4_C_AOQC4003_1
(CYTOCHROME B)		6wkp NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		5 / 12
PHE D 110
GLY D  85
VAL D 133
ILE D 130
LEU D  64
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.
4PD4_C_AOQC4003_1
(CYTOCHROME B)		6wkp NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		5 / 12
PHE A 110
GLY A  85
VAL A 133
ILE A 130
LEU A  64
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.
4PD4_C_AOQC4003_1
(CYTOCHROME B)		6wkp NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		5 / 12
PHE B 110
GLY B  85
VAL B 133
ILE B 130
LEU B  64
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.
4PD4_C_AOQC4003_1
(CYTOCHROME B)		6wkp NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		5 / 12
PHE B  66
GLY B  71
VAL B  72
ILE B  74
LEU B  56
1.75A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PD4_C_AOQC4003_1
(CYTOCHROME B)		6wlc URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)		5 / 12
PHE A 214
GLY A 254
ILE A 253
ILE A 236
LEU A 298
1.76A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PD4_C_AOQC4003_1
(CYTOCHROME B)		6wlc URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)		5 / 12
PHE B 195
GLY B 157
ILE B 144
PRO B  68
LEU B  76
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.
4PD4_C_AOQC4003_1
(CYTOCHROME B)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
ILE B  18
ILE B  23
PRO B 125
LEU B 126
ILE B 137
1.76A
None
APR  B 201 (-3.8A)
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.
4PD4_C_AOQC4003_1
(CYTOCHROME B)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
PHE B 116
VAL B 151
PRO B 125
LEU B 127
LEU B 140
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.
4PD4_C_AOQC4003_1
(CYTOCHROME B)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
PHE D 116
VAL D 151
PRO D 125
LEU D 127
LEU D 140
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.
4PD4_C_AOQC4003_1
(CYTOCHROME B)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
ILE D  18
ILE D  23
PRO D 125
LEU D 126
ILE D 137
1.75A
None
APR  D 201 (-3.8A)
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.
4PD4_C_AOQC4003_1
(CYTOCHROME B)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
ILE A  18
ILE A  23
PRO A 125
LEU A 126
ILE A 137
1.69A
None
APR  A 201 (-4.0A)
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.
4PD4_C_AOQC4003_1
(CYTOCHROME B)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
PHE A 116
VAL A 151
PRO A 125
LEU A 127
LEU A 140
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.
4PD4_C_AOQC4003_1
(CYTOCHROME B)		6wqd NSP8
(SARS-CoV-2)		5 / 12
GLY D 113
VAL D 115
PRO D 183
LEU D 117
ILE D 156
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.
4PD4_C_AOQC4003_1
(CYTOCHROME B)		6wqd NSP8
(SARS-CoV-2)		5 / 12
GLY B 113
VAL B 115
PRO B 183
LEU B 117
ILE B 156
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.
4PD4_C_AOQC4003_1
(CYTOCHROME B)		6wqd NSP7
NSP8
(SARS-CoV-2)		5 / 12
PHE D  92
VAL C  16
LEU C  60
LEU C  55
MET C  52
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.
4PD4_C_AOQC4003_1
(CYTOCHROME B)		6wqd NSP7
NSP8
(SARS-CoV-2)		5 / 12
PHE B  92
VAL A  16
LEU A  60
LEU A  55
MET A  52
1.76A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PD4_C_AOQC4003_1
(CYTOCHROME B)		6wqf 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 12
VAL A 202
ILE A 200
ILE A 249
PHE A 112
ILE A 136
1.73A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PD4_C_AOQC4003_1
(CYTOCHROME B)		6xez NSP13
(SARS-CoV-2)		5 / 12
GLY E 494
ILE E 493
ILE E 592
PHE E 546
ILE E 512
1.18A21.21
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.
4PD4_C_AOQC4003_1
(CYTOCHROME B)		6xez NSP13
(SARS-CoV-2)		5 / 12
GLY E 494
ILE E 592
PHE E 546
LEU E 573
ILE E 512
1.15A21.21
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.
4PD4_C_AOQC4003_1
(CYTOCHROME B)		6yb7 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
GLY A 109
ILE A 200
ILE A 249
PRO A 293
LEU A 205
1.73A16.41
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PD4_C_AOQC4003_1
(CYTOCHROME B)		6yb7 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
GLY A 109
ILE A 249
PRO A 293
LEU A 205
ILE A 281
1.65A16.41
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PD4_C_AOQC4003_1
(CYTOCHROME B)		6yhu REPLICASE
POLYPROTEIN 1A
(SARS-CoV-2)		5 / 12
GLY B 113
VAL B 115
PRO B 183
LEU B 117
ILE B 156
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.
4PD4_C_AOQC4003_1
(CYTOCHROME B)		6yhu REPLICASE
POLYPROTEIN 1A
(SARS-CoV-2)		5 / 12
GLY D 113
VAL D 115
PRO D 183
LEU D 117
ILE D 156
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.
4PD4_C_AOQC4003_1
(CYTOCHROME B)		6yi3 NUCLEOPROTEIN
(SARS-CoV-2)		5 / 12
PHE A  26
GLY A  31
VAL A  32
ILE A  34
LEU A  16
1.75A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PD4_C_AOQC4003_1
(CYTOCHROME B)		6yi3 NUCLEOPROTEIN
(SARS-CoV-2)		5 / 12
PHE A  70
GLY A  45
VAL A  93
ILE A  90
LEU A  24
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.
4PD4_C_AOQC4003_1
(CYTOCHROME B)		6yla LIGHT CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		5 / 12
GLY E 381
VAL E 382
ILE L  34
LEU E 513
ILE E 410
1.73A
None
DMS  L1601 (-4.2A)
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.
4PD4_C_AOQC4003_1
(CYTOCHROME B)		6yla LIGHT CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		5 / 12
GLY A 381
VAL A 382
ILE C  34
LEU A 513
ILE A 410
1.73A
None
DMS  A 905 (-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.
4PD4_C_AOQC4003_1
(CYTOCHROME B)		6yla HEAVY CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		5 / 12
GLY E 339
VAL E 341
ILE E 358
LEU E 368
ILE H  30
1.61A
NAG  E 907 ( 4.0A)
None
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.
4PD4_C_AOQC4003_1
(CYTOCHROME B)		6yla LIGHT CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		5 / 12
PHE A 464
VAL A 512
PRO A 412
TYR A 380
ILE C  34
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.
4PD4_C_AOQC4003_1
(CYTOCHROME B)		6yla LIGHT CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		5 / 12
GLY A 381
VAL A 382
ILE C  34
LEU A 425
LEU A 513
1.63A
None
DMS  A 905 (-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.
4PD4_C_AOQC4003_1
(CYTOCHROME B)		6yla LIGHT CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		5 / 12
PHE E 464
VAL E 512
PRO E 412
TYR E 380
ILE L  34
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.
4PD4_C_AOQC4003_1
(CYTOCHROME B)		6yla HEAVY CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		5 / 12
GLY A 339
VAL A 341
ILE A 358
LEU A 368
ILE B  30
1.59A
NAG  A 904 ( 3.7A)
None
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.
4PD4_C_AOQC4003_1
(CYTOCHROME B)		6ym0 LIGHT CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		5 / 12
PHE E 464
VAL E 512
PRO E 412
TYR E 380
ILE L  34
1.31A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PD4_C_AOQC4003_1
(CYTOCHROME B)		6ym0 HEAVY CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		5 / 12
GLY E 339
VAL E 341
ILE E 358
LEU E 368
ILE H  30
1.44A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PD4_C_AOQC4003_1
(CYTOCHROME B)		6ynq REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
GLY A 109
ILE A 200
ILE A 249
PRO A 293
LEU A 205
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.
4PD4_C_AOQC4003_1
(CYTOCHROME B)		6ynq REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
GLY A 109
ILE A 249
PRO A 293
LEU A 205
ILE A 281
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.
4PD4_C_AOQC4003_1
(CYTOCHROME B)		6yor IGG L CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		5 / 12
PHE E 464
VAL E 512
PRO E 412
TYR E 380
ILE L  34
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.
4PD4_C_AOQC4003_1
(CYTOCHROME B)		6yor IGG H CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		5 / 12
GLY A 339
VAL A 341
ILE A 358
LEU A 368
ILE B  30
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.
4PD4_C_AOQC4003_1
(CYTOCHROME B)		6yor SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
PHE A 515
GLY A 431
PRO A 384
LEU A 387
LEU A 368
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.
4PD4_C_AOQC4003_1
(CYTOCHROME B)		6yor IGG L CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		5 / 12
PHE A 464
VAL A 512
PRO A 412
TYR A 380
ILE C  34
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.
4PD4_C_AOQC4003_1
(CYTOCHROME B)		6yor IGG H CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		5 / 12
GLY E 339
VAL E 341
ILE E 358
LEU E 368
ILE H  30
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.
4PD4_C_AOQC4003_1
(CYTOCHROME B)		6yt8 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
GLY A 109
ILE A 249
PRO A 293
LEU A 205
ILE A 281
1.64A
PEG  A 405 (-3.3A)
None
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.
4PD4_C_AOQC4003_1
(CYTOCHROME B)		6yt8 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
GLY A 109
ILE A 200
ILE A 249
PRO A 293
LEU A 205
1.71A
PEG  A 405 (-3.3A)
PEG  A 405 (-4.1A)
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.
4PD4_C_AOQC4003_1
(CYTOCHROME B)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
PHE B 116
VAL B 151
PRO B 125
LEU B 127
LEU B 140
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.
4PD4_C_AOQC4003_1
(CYTOCHROME B)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
PHE C 116
VAL C 151
PRO C 125
LEU C 127
LEU C 140
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.
4PD4_C_AOQC4003_1
(CYTOCHROME B)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
ILE C  18
ILE C  23
PRO C 125
LEU C 126
ILE C 137
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.
4PD4_C_AOQC4003_1
(CYTOCHROME B)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
ILE D  18
ILE D  23
PRO D 125
LEU D 126
ILE D 137
1.70A
None
EDO  D 208 (-4.0A)
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.
4PD4_C_AOQC4003_1
(CYTOCHROME B)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
ILE B  18
ILE B  23
PRO B 125
LEU B 126
ILE B 137
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.
4PD4_C_AOQC4003_1
(CYTOCHROME B)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
PHE A 116
VAL A 151
PRO A 125
LEU A 127
LEU A 140
1.68A
None
None
None
EDO  A 202 ( 4.8A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PD4_C_AOQC4003_1
(CYTOCHROME B)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
ILE A  18
ILE A  23
PRO A 125
LEU A 126
ILE A 137
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.
4PD4_C_AOQC4003_1
(CYTOCHROME B)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
PHE D 116
VAL D 151
PRO D 125
LEU D 127
LEU D 140
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.
4PD4_C_AOQC4003_1
(CYTOCHROME B)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
ILE E  18
ILE E  23
PRO E 125
LEU E 126
ILE E 137
1.68A
None
EDO  E 205 (-4.2A)
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.
4PD4_C_AOQC4003_1
(CYTOCHROME B)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
PHE E 116
VAL E 151
PRO E 125
LEU E 127
LEU E 140
1.75A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PD4_C_AOQC4003_1
(CYTOCHROME B)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
ILE E  18
ILE E  23
PRO E 125
LEU E 126
ILE E 137
1.74A
None
APR  E 201 (-4.1A)
None
APR  E 201 (-4.7A)
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.
4PD4_C_AOQC4003_1
(CYTOCHROME B)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
PHE A 116
VAL A 151
PRO A 125
LEU A 127
LEU A 140
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.
4PD4_C_AOQC4003_1
(CYTOCHROME B)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
PHE B 116
VAL B 151
PRO B 125
LEU B 127
LEU B 140
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.
4PD4_C_AOQC4003_1
(CYTOCHROME B)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
ILE B  18
ILE B  23
PRO B 125
LEU B 126
ILE B 137
1.76A
None
APR  B 201 (-4.1A)
None
APR  B 201 (-4.7A)
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.
4PD4_C_AOQC4003_1
(CYTOCHROME B)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
PHE D 116
VAL D 151
PRO D 125
LEU D 127
LEU D 140
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.
4PD4_C_AOQC4003_1
(CYTOCHROME B)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
PHE C 116
VAL C 151
PRO C 125
LEU C 127
LEU C 140
1.76A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PD4_C_AOQC4003_1
(CYTOCHROME B)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
PHE E 116
VAL E 151
PRO E 125
LEU E 127
LEU E 140
1.75A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PD4_C_AOQC4003_1
(CYTOCHROME B)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
ILE A  18
ILE A  23
PRO A 125
LEU A 126
ILE A 137
1.74A
None
APR  A 201 (-3.9A)
None
APR  A 201 (-4.8A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PD4_C_AOQC4003_1
(CYTOCHROME B)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
PHE C 116
VAL C 151
PRO C 125
LEU C 127
LEU C 140
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.
4PD4_C_AOQC4003_1
(CYTOCHROME B)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
PHE A 116
VAL A 151
PRO A 125
LEU A 127
LEU A 140
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.
4PD4_C_AOQC4003_1
(CYTOCHROME B)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
ILE C  18
ILE C  23
PRO C 125
LEU C 126
ILE C 137
1.72A
None
EDO  C 206 (-4.1A)
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.
4PD4_C_AOQC4003_1
(CYTOCHROME B)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
ILE A  18
ILE A  23
PRO A 125
LEU A 126
ILE A 137
1.68A
None
None
None
None
EDO  A 206 (-4.6A)
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.
4PD4_C_AOQC4003_1
(CYTOCHROME B)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
PHE B 116
VAL B 151
PRO B 125
LEU B 127
LEU B 140
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.
4PD4_C_AOQC4003_1
(CYTOCHROME B)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
ILE B  18
ILE B  23
PRO B 125
LEU B 126
ILE B 137
1.74A
None
EDO  B 202 (-4.0A)
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.
4PD4_C_AOQC4003_1
(CYTOCHROME B)		7btf NSP12
(SARS-CoV-2)		5 / 12
VAL A 405
ILE A 450
LEU A 673
TYR A 674
LEU A 388
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.
4PD4_C_AOQC4003_1
(CYTOCHROME B)		7btf NSP12
(SARS-CoV-2)		5 / 12
GLY A 670
VAL A 405
ILE A 450
LEU A 673
LEU A 388
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.
4PD4_C_AOQC4003_1
(CYTOCHROME B)		7btf NSP12
NSP8
(SARS-CoV-2)		5 / 12
VAL B 131
ILE B 185
ILE A 450
TYR A 674
LEU A 388
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.
4PD4_C_AOQC4003_1
(CYTOCHROME B)		7btf NSP12
NSP8
(SARS-CoV-2)		5 / 12
VAL A 330
ILE B 119
PRO B 121
MET A 666
ILE A 539
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.
4PD4_C_AOQC4003_1
(CYTOCHROME B)		7bv1 NSP12
(SARS-CoV-2)		5 / 12
VAL A 405
ILE A 450
LEU A 673
TYR A 674
LEU A 388
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.
4PD4_C_AOQC4003_1
(CYTOCHROME B)		7bv1 NSP12
(SARS-CoV-2)		5 / 12
GLY A 670
VAL A 405
ILE A 450
LEU A 673
LEU A 388
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.
4PD4_C_AOQC4003_1
(CYTOCHROME B)		7bv2 NSP12
(SARS-CoV-2)		5 / 12
GLY A 670
VAL A 405
ILE A 450
LEU A 673
LEU A 388
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.
4PD4_C_AOQC4003_1
(CYTOCHROME B)		7bv2 NSP12
(SARS-CoV-2)		5 / 12
VAL A 405
ILE A 450
LEU A 673
TYR A 674
LEU A 388
1.70A
None