Ligand ID: BQ1


Drugbank ID:
DB08903
(Bedaquiline)


Indication:
Bedaquiline is indicated as part of combination therapy in adults (≥ 18 years) with pulmonary multi-drug resistant tuberculosis (MDR-TB).

Get human targets for BQ1 in PDB (known and potential targets)

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'BQ1' 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.
4V1F_A_BQ1A1087_0
(F0F1 ATP SYNTHASE
SUBUNIT C)		1q2w 3C-LIKE PROTEASE
(SARSr-CoV)		3 / 3
GLU A 270
ALA A 266
PHE A 223
1.07A15.67
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.
4V1F_A_BQ1A1087_0
(F0F1 ATP SYNTHASE
SUBUNIT C)		1uk3 3C-LIKE PROTEINASE
(SARSr-CoV)		3 / 3
GLU B 270
ALA B 266
PHE B 223
0.94A14.29
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.
4V1F_A_BQ1A1087_0
(F0F1 ATP SYNTHASE
SUBUNIT C)		1ysy REPLICASE
POLYPROTEIN 1AB
(PP1AB) (ORF1AB)
(SARSr-CoV)		3 / 3
GLU A  52
ALA A  50
PHE A  51
1.03A19.15
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.
4V1F_A_BQ1A1087_0
(F0F1 ATP SYNTHASE
SUBUNIT C)		1z1j 3C-LIKE PROTEINASE
(SARSr-CoV)		3 / 3
GLU A 270
ALA A 267
PHE A 223
1.00A15.28
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.
4V1F_A_BQ1A1087_0
(F0F1 ATP SYNTHASE
SUBUNIT C)		2a5k 3C-LIKE PEPTIDASE
(SARSr-CoV)		3 / 3
GLU B 270
ALA B 266
PHE B 223
0.97A14.29
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.
4V1F_B_BQ1B1087_0
(F0F1 ATP SYNTHASE
SUBUNIT C)		2ahm REPLICASE
POLYPROTEIN 1AB,
HEAVY CHAIN
REPLICASE
POLYPROTEIN 1AB,
LIGHT CHAIN
(SARSr-CoV)		5 / 8
ALA F 155
ALA F 107
ILE F 111
ALA B  53
LEU B  61
1.40A17.73
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4V1F_A_BQ1A1087_0
(F0F1 ATP SYNTHASE
SUBUNIT C)		2d2d 3C-LIKE PROTEINASE
(SARSr-CoV)		3 / 3
GLU B 270
ALA B 266
PHE B 223
0.93A14.29
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.
4V1F_A_BQ1A1087_0
(F0F1 ATP SYNTHASE
SUBUNIT C)		2fe8 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		3 / 3
GLU A  71
ALA A  69
PHE A  70
1.05A16.86
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4V1F_A_BQ1A1087_0
(F0F1 ATP SYNTHASE
SUBUNIT C)		2gri NSP3
(SARSr)		3 / 3
GLU A  53
ALA A  55
PHE A  54
0.59A15.38
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.
4V1F_A_BQ1A1087_0
(F0F1 ATP SYNTHASE
SUBUNIT C)		2idy NSP3
(SARSr-CoV)		3 / 3
GLU A  53
ALA A  55
PHE A  54
0.77A15.38
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.
4V1F_A_BQ1A1087_0
(F0F1 ATP SYNTHASE
SUBUNIT C)		2kqv NSP3
(SARSr-CoV)		3 / 3
GLU A  97
ALA A  98
PHE A  93
1.05A17.95
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4V1F_A_BQ1A1087_0
(F0F1 ATP SYNTHASE
SUBUNIT C)		2liz 3C-LIKE PROTEINASE
(SARSr-CoV)		3 / 3
GLU A 270
ALA A 266
PHE A 223
0.97A21.14
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.
4V1F_B_BQ1B1087_0
(F0F1 ATP SYNTHASE
SUBUNIT C)		2ofz NUCLEOCAPSID PROTEIN
(SARS-COV
Tor2)		5 / 8
ALA A 139
ALA A 135
ILE A  -3
ALA A 126
TYR A 124
1.73A20.77
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.
4V1F_A_BQ1A1087_0
(F0F1 ATP SYNTHASE
SUBUNIT C)		2op9 REPLICASE
POLYPROTEIN 1AB
(PP1AB, ORF1AB)
3C-LIKE PROTEINASE
(3CL-PRO, 3CLP)
(SARSr-CoV)		3 / 3
GLU A 270
ALA A 266
PHE A 223
1.06A15.67
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.
4V1F_B_BQ1B1087_0
(F0F1 ATP SYNTHASE
SUBUNIT C)		2ozk URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		5 / 8
ALA D 108
ALA D 115
ILE D 107
ALA D 137
LEU D 119
1.58A13.87
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.
4V1F_A_BQ1A1087_0
(F0F1 ATP SYNTHASE
SUBUNIT C)		2q6g REPLICASE
POLYPROTEIN 1AB
(SARS-COV
BJ01)		3 / 3
GLU B 270
ALA B 266
PHE B 223
0.97A12.62
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.
4V1F_A_BQ1A1087_0
(F0F1 ATP SYNTHASE
SUBUNIT C)		2qc2 3C-LIKE PROTEINASE
(-)		3 / 3
GLU B 270
ALA B 266
PHE B 223
1.05A14.29
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.
4V1F_A_BQ1A1087_0
(F0F1 ATP SYNTHASE
SUBUNIT C)		2qcy 3C-LIKE PROTEINASE
(SARSr-CoV)		3 / 3
GLU A 270
ALA A 266
PHE A 223
1.05A14.29
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.
4V1F_A_BQ1A1087_0
(F0F1 ATP SYNTHASE
SUBUNIT C)		2qiq REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		3 / 3
GLU A 270
ALA A 266
PHE A 223
1.01A15.67
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.
4V1F_B_BQ1B1087_0
(F0F1 ATP SYNTHASE
SUBUNIT C)		2rhb URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		5 / 8
ALA B 234
ALA B 231
ILE B 235
GLU B 339
LEU B 331
1.64A13.83
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4V1F_A_BQ1A1087_0
(F0F1 ATP SYNTHASE
SUBUNIT C)		2vj1 MAIN PROTEINASE
(SARSr-CoV)		3 / 3
GLU B 270
ALA B 266
PHE B 223
1.00A15.67
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.
4V1F_A_BQ1A1087_0
(F0F1 ATP SYNTHASE
SUBUNIT C)		2xyq PUTATIVE 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		3 / 3
GLU A  23
ALA A 226
PHE A 230
0.96A16.94
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.
4V1F_A_BQ1A1087_0
(F0F1 ATP SYNTHASE
SUBUNIT C)		2xyr PUTATIVE 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		3 / 3
GLU A  23
ALA A 226
PHE A 230
0.92A16.94
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.
4V1F_A_BQ1A1087_0
(F0F1 ATP SYNTHASE
SUBUNIT C)		3d62 3C-LIKE PROTEINASE
(SARSr-CoV)		3 / 3
GLU A 270
ALA A 266
PHE A 223
0.95A15.67
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.
4V1F_A_BQ1A1087_0
(F0F1 ATP SYNTHASE
SUBUNIT C)		3e9s NSP3
(SARSr-CoV)		3 / 3
GLU A  71
ALA A  69
PHE A  70
1.03A12.97
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.
4V1F_A_BQ1A1087_0
(F0F1 ATP SYNTHASE
SUBUNIT C)		3eaj 3C-LIKE PROTEINASE
(SARSr-CoV)		3 / 3
GLU B 270
ALA B 266
PHE B 223
0.83A14.95
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4V1F_B_BQ1B1087_0
(F0F1 ATP SYNTHASE
SUBUNIT C)		3eaj 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 8
ALA A 286
ALA A 284
GLU A 288
ALA A 291
LEU A 208
1.41A14.95
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4V1F_A_BQ1A1087_0
(F0F1 ATP SYNTHASE
SUBUNIT C)		3ebn REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		3 / 3
GLU B 270
ALA B 266
PHE B 223
1.04A21.14
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.
4V1F_A_BQ1A1087_0
(F0F1 ATP SYNTHASE
SUBUNIT C)		3f9g 3C-LIKE PROTEINASE
(SARSr-CoV)		3 / 3
GLU B 270
ALA B 267
PHE B 223
1.03A16.04
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.
4V1F_A_BQ1A1087_0
(F0F1 ATP SYNTHASE
SUBUNIT C)		3fzd 3C-LIKE PROTEINASE
(SARSr-CoV)		3 / 3
GLU A 270
ALA A 266
PHE A 223
0.95A15.67
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.
4V1F_A_BQ1A1087_0
(F0F1 ATP SYNTHASE
SUBUNIT C)		3m3s 3C-LIKE PROTEINASE
(SARSr-CoV)		3 / 3
GLU B 270
ALA B 266
PHE B 223
0.96A14.29
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.
4V1F_A_BQ1A1087_0
(F0F1 ATP SYNTHASE
SUBUNIT C)		3m3t 3C-LIKE PROTEINASE
(SARSr-CoV)		3 / 3
GLU A 270
ALA A 266
PHE A 223
0.97A14.29
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.
4V1F_A_BQ1A1087_0
(F0F1 ATP SYNTHASE
SUBUNIT C)		3mj5 REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		3 / 3
GLU B  71
ALA B  69
PHE B  70
0.87A12.97
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.
4V1F_A_BQ1A1087_0
(F0F1 ATP SYNTHASE
SUBUNIT C)		3r24 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		3 / 3
GLU A  23
ALA A 226
PHE A 230
1.04A14.42
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.
4V1F_A_BQ1A1087_0
(F0F1 ATP SYNTHASE
SUBUNIT C)		3sna 3C-LIKE PROTEINASE
(SARSr-CoV)		3 / 3
GLU A 270
ALA A 266
PHE A 223
0.92A15.67
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.
4V1F_A_BQ1A1087_0
(F0F1 ATP SYNTHASE
SUBUNIT C)		4hi3 3C-LIKE PROTEINASE
(SARSr-CoV)		3 / 3
GLU B 270
ALA B 266
PHE B 223
1.01A13.59
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.
4V1F_A_BQ1A1087_0
(F0F1 ATP SYNTHASE
SUBUNIT C)		4m0w REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		3 / 3
GLU A  71
ALA A  69
PHE A  70
1.02A16.86
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4V1F_A_BQ1A1087_0
(F0F1 ATP SYNTHASE
SUBUNIT C)		4mds 3C-LIKE PROTEINASE
(SARSr-CoV)		3 / 3
GLU A 270
ALA A 266
PHE A 223
0.97A15.67
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.
4V1F_A_BQ1A1087_0
(F0F1 ATP SYNTHASE
SUBUNIT C)		4tww 3C-LIKE PROTEINASE
(SARSr-CoV)		3 / 3
GLU A 270
ALA A 266
PHE A 223
0.91A14.29
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.
4V1F_B_BQ1B1087_0
(F0F1 ATP SYNTHASE
SUBUNIT C)		5f22 NSP8
NSP7
(SARSr-CoV)		5 / 8
ALA B 155
ALA B 107
ILE B 111
ALA A  53
LEU A  61
1.46A18.66
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.
4V1F_A_BQ1A1087_0
(F0F1 ATP SYNTHASE
SUBUNIT C)		5tl6 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		3 / 3
GLU D  71
ALA D  69
PHE D  70
0.98A12.85
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.
4V1F_B_BQ1B1087_0
(F0F1 ATP SYNTHASE
SUBUNIT C)		5x58 SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		5 / 8
ALA B 866
ALA B 875
ILE A 687
ALA B 857
TYR B 771
1.48A5.85
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.
4V1F_A_BQ1A1087_0
(F0F1 ATP SYNTHASE
SUBUNIT C)		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		3 / 3
GLU B 131
ALA B 156
PHE B 157
0.91A5.85
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.
4V1F_B_BQ1B1087_0
(F0F1 ATP SYNTHASE
SUBUNIT C)		5x5c S PROTEIN
(MERS-CoV)		4 / 8
ALA C 968
ALA C 969
ILE C 970
PHE C 972
1.01A4.98
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.
4V1F_B_BQ1B1087_0
(F0F1 ATP SYNTHASE
SUBUNIT C)		5xlr SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 8
ALA C 971
ILE C 962
GLU C 730
ALA C 732
LEU C 959
1.79A5.87
ALA  C 971 ( 0.0A)
ILE  C 962 ( 0.7A)
GLU  C 730 ( 0.5A)
ALA  C 732 ( 0.0A)
LEU  C 959 ( 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.
4V1F_B_BQ1B1087_0
(F0F1 ATP SYNTHASE
SUBUNIT C)		6acg SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 8
ALA B 251
ALA B 250
GLU B  93
LEU B 235
1.00A5.87
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.
4V1F_A_BQ1A1087_0
(F0F1 ATP SYNTHASE
SUBUNIT C)		6crv SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		3 / 3
GLU B 131
ALA B 156
PHE B 157
0.86A5.68
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4V1F_B_BQ1B1087_0
(F0F1 ATP SYNTHASE
SUBUNIT C)		6crx SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 8
ALA B 971
ILE B 962
GLU B 730
ALA B 732
LEU B 978
1.32A5.60
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.
4V1F_A_BQ1A1087_0
(F0F1 ATP SYNTHASE
SUBUNIT C)		6crz SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		3 / 3
GLU A 131
ALA A 156
PHE A 157
0.68A5.60
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.
4V1F_B_BQ1B1087_0
(F0F1 ATP SYNTHASE
SUBUNIT C)		6iex MHC CLASS I ANTIGEN
(Homo
sapiens;
SARSr-CoV)		5 / 8
ALA A 135
ALA A 136
ILE A 124
TYR A 123
LEU C  10
1.65A17.11
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.
4V1F_B_BQ1B1087_0
(F0F1 ATP SYNTHASE
SUBUNIT C)		6jyt HELICASE
(SARSr-CoV)		5 / 8
ALA B 123
ILE B 121
ALA B 407
PHE B 422
LEU B 417
1.78A11.38
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.
4V1F_B_BQ1B1087_0
(F0F1 ATP SYNTHASE
SUBUNIT C)		6lzg ACE2
(Homo
sapiens)		5 / 8
ALA A 372
ALA A 311
ILE A 307
ALA A 413
LEU A 423
1.78A8.53
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.
4V1F_B_BQ1B1087_0
(F0F1 ATP SYNTHASE
SUBUNIT C)		6m18 ACE2
(Homo
sapiens)		4 / 8
ALA B 342
ILE B  54
ALA B  46
TYR B  50
0.96A6.96
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.
4V1F_B_BQ1B1087_0
(F0F1 ATP SYNTHASE
SUBUNIT C)		6m18 SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		5 / 8
ALA A 498
ALA A 282
ALA A  91
PHE A  90
LEU A 286
1.72A10.30
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.
4V1F_B_BQ1B1087_0
(F0F1 ATP SYNTHASE
SUBUNIT C)		6nb6 SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 8
ALA A 971
ILE A 962
GLU A 730
ALA A 732
LEU A 978
1.44A5.69
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.
4V1F_B_BQ1B1087_0
(F0F1 ATP SYNTHASE
SUBUNIT C)		6nur NSP7
NSP8
(SARSr-CoV)		5 / 8
ALA D 150
ALA D 102
ILE D 106
ALA C  48
LEU C  56
1.41A18.18
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.
4V1F_B_BQ1B1087_0
(F0F1 ATP SYNTHASE
SUBUNIT C)		6nus NSP12
NSP8
(SARSr-CoV)		5 / 8
ALA A 512
ALA A 502
ILE A 562
ALA B  86
LEU A 372
1.46A6.31
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.
4V1F_B_BQ1B1087_0
(F0F1 ATP SYNTHASE
SUBUNIT C)		6w41 CR3022 FAB HEAVY
CHAIN
(Homo
sapiens)		4 / 8
ALA H  71
ALA H  78
ILE H  34
LEU H   4
1.52A21.02
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.
4V1F_B_BQ1B1087_0
(F0F1 ATP SYNTHASE
SUBUNIT C)		6w41 CR3022 FAB HEAVY
CHAIN
CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		4 / 8
ALA L 144
GLU L 161
PHE H 166
LEU L 135
1.47A17.83
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4V1F_B_BQ1B1087_0
(F0F1 ATP SYNTHASE
SUBUNIT C)		6w41 CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		4 / 8
ALA L  34
ALA L  51
ILE L  48
LEU L  73
1.60A17.83
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4V1F_B_BQ1B1087_0
(F0F1 ATP SYNTHASE
SUBUNIT C)		6w41 CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		4 / 8
ALA L  19
ILE L  75
TYR L  86
LEU L  47
1.42A17.83
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4V1F_B_BQ1B1087_0
(F0F1 ATP SYNTHASE
SUBUNIT C)		6w41 CR3022 FAB HEAVY
CHAIN
(Homo
sapiens)		4 / 8
ALA H  71
ILE H  69
ALA H  93
LEU H  80
1.72A21.02
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.
4V1F_B_BQ1B1087_0
(F0F1 ATP SYNTHASE
SUBUNIT C)		6w41 CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		4 / 8
GLU L 187
ALA L 184
TYR L 186
LEU L 181
1.56A17.83
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4V1F_B_BQ1B1087_0
(F0F1 ATP SYNTHASE
SUBUNIT C)		6w41 CR3022 FAB HEAVY
CHAIN
CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		4 / 8
ALA H 137
ALA L 112
PHE L 139
LEU L 136
1.48A21.02
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.
4V1F_B_BQ1B1087_0
(F0F1 ATP SYNTHASE
SUBUNIT C)		6w41 CR3022 FAB HEAVY
CHAIN
CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		4 / 8
ALA L  84
TYR L  87
PHE L  98
LEU H  45
1.46A17.83
None