Ligand ID: DLU


Drugbank ID:
DB08930
(Dolutegravir)


Indication:
Dolutegravir is indicated in combination with other antiretroviral agents for the treatment of patients with HIV-1 infection that comply with the characteristics of being adults or children aged 12 years and older and present at least a weight of 40 kg.[A7520] The FDA combination therapy approval of dolutegravir and rilpivirine is indicated for adults with HIV-1 infections whose virus is currently suppressed (< 50 copies/ml) on a stable regimen for at least six months, without history of treatment failure and no known substitutions associated to resistance to any of the two components of the therapy.[L1031]

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

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'DLU' 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.
3S3M_A_DLUA398_1
(PFV INTEGRASE)		1uk2 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 8
GLY A   2
TYR B 126
GLN A 127
GLU A 288
1.48A21.98
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.
3S3N_A_DLUA398_1
(PFV INTEGRASE)		1uk4 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 8
ASP B 187
GLY B 179
TYR B 182
ARG B 105
1.46A21.98
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.
3S3M_A_DLUA398_1
(PFV INTEGRASE)		2acf REPLICASE
POLYPROTEIN 1AB
(SARS-COV
Tor2)		4 / 8
GLY B 241
TYR C 350
GLN C 345
GLU C 344
1.20A20.00
GOL  B1001 (-3.6A)
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.
3S3N_A_DLUA398_1
(PFV INTEGRASE)		2acf REPLICASE
POLYPROTEIN 1AB
(SARS-COV
Tor2)		4 / 8
GLY B 241
TYR C 350
GLN C 345
GLU C 344
1.22A19.65
GOL  B1001 (-3.6A)
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.
3S3O_A_DLUA399_1
(PFV INTEGRASE)		2acf REPLICASE
POLYPROTEIN 1AB
(SARS-COV
Tor2)		4 / 7
ASP B 249
TYR C 350
GLN C 345
GLU C 344
1.34A20.00
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3S3O_A_DLUA399_1
(PFV INTEGRASE)		2ajf ACE2
SPIKE PROTEIN
(Homo
sapiens;
SARSr-CoV)		4 / 7
ASP E 393
ASP E 392
GLN E 492
ARG A 393
1.61A16.96
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.
3S3N_A_DLUA398_1
(PFV INTEGRASE)		2alv REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 8
ASP A 187
GLY A 179
TYR A 182
ARG A 105
1.52A21.98
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.
3S3O_A_DLUA399_1
(PFV INTEGRASE)		2cjr NUCLEOCAPSID PROTEIN
(SARS-COV
TW1)		4 / 7
ASP C 342
ASP C 341
PRO C 345
GLN C 346
1.68A15.89
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3S3N_A_DLUA398_1
(PFV INTEGRASE)		2d2d 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 8
ASP B 187
GLY B 179
TYR B 182
ARG B 105
1.50A22.22
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.
3S3N_A_DLUA398_1
(PFV INTEGRASE)		2dd8 IGG LIGHT CHAIN
(Homo
sapiens)		4 / 8
GLY L 159
TYR L 193
PRO L 121
GLU L 125
1.38A19.19
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3S3O_A_DLUA399_1
(PFV INTEGRASE)		2dd8 IGG LIGHT CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARSr-CoV)		4 / 7
ASP L  53
ASP L  50
GLN L  89
ARG S 426
1.54A19.40
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.
3S3M_A_DLUA398_1
(PFV INTEGRASE)		2dd8 IGG LIGHT CHAIN
(Homo
sapiens)		4 / 8
GLY L 159
TYR L 193
PRO L 121
GLU L 125
1.36A19.40
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.
3S3M_A_DLUA398_1
(PFV INTEGRASE)		2fe8 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 8
ASP C 215
GLY C 220
TYR C 208
ARG C 184
1.45A21.80
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.
3S3O_A_DLUA399_1
(PFV INTEGRASE)		2g9t ORF1A POLYPROTEIN
(SARSr-CoV)		4 / 7
PRO H 100
GLN H  65
GLU H  66
ARG H 113
1.71A16.28
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.
3S3O_A_DLUA399_1
(PFV INTEGRASE)		2ghw ANTI-SCFV ANTIBODY,
80R
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARSr-CoV)		4 / 7
ASP C 393
ASP C 392
TYR D  32
GLN C 492
1.64A19.37
None
CL  C  20 ( 4.9A)
CL  C  20 ( 4.1A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3S3O_A_DLUA399_1
(PFV INTEGRASE)		2gib NUCLEOCAPSID PROTEIN
(SARSr-CoV)		4 / 7
ASP B 342
ASP B 341
PRO B 345
GLN B 346
1.64A13.16
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3S3M_A_DLUA398_1
(PFV INTEGRASE)		2op9 REPLICASE
POLYPROTEIN 1AB
(PP1AB, ORF1AB)
3C-LIKE PROTEINASE
(3CL-PRO, 3CLP)
(SARSr-CoV)		4 / 8
GLY B   2
TYR A 126
GLN B 127
GLU B 288
1.48A21.78
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3S3N_A_DLUA398_1
(PFV INTEGRASE)		2op9 REPLICASE
POLYPROTEIN 1AB
(PP1AB, ORF1AB)
3C-LIKE PROTEINASE
(3CL-PRO, 3CLP)
(SARSr-CoV)		4 / 8
ASP B 187
GLY B 179
TYR B 182
ARG B 105
1.52A21.78
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3S3N_A_DLUA398_1
(PFV INTEGRASE)		2ozk URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		4 / 8
ASP B 282
GLY B 286
PRO B 262
ARG A  61
1.29A20.19
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3S3O_A_DLUA399_1
(PFV INTEGRASE)		2rhb URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		4 / 7
ASP D 300
TYR D 193
GLN D 196
GLU D 210
1.74A20.48
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.
3S3O_A_DLUA399_1
(PFV INTEGRASE)		3bgf F26G19 FAB
(Mus
musculus)		4 / 7
TYR H 102
GLN H 105
GLU H   5
ARG H  94
1.77A19.74
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3S3O_A_DLUA399_1
(PFV INTEGRASE)		3d0g ACE2
SPIKE GLYCOPROTEIN
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		4 / 7
ASP F 480
TYR F 481
GLN B  37
GLU B  35
1.76A17.08
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3S3O_A_DLUA399_1
(PFV INTEGRASE)		3d0h ACE2
SPIKE GLYCOPROTEIN
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		4 / 7
ASP F 480
TYR F 481
GLN B  37
GLU B  35
1.80A17.33
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.
3S3O_A_DLUA399_1
(PFV INTEGRASE)		3d0h ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		4 / 7
TYR A  83
PRO A  84
GLN A  86
GLU A  87
1.68A20.16
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3S3N_A_DLUA398_1
(PFV INTEGRASE)		3d62 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 8
ASP A 187
GLY A 179
TYR A 182
ARG A 105
1.49A19.90
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3S3N_A_DLUA398_1
(PFV INTEGRASE)		3eaj 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 8
ASP B 187
GLY B 179
TYR B 182
ARG B 105
1.52A20.68
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.
3S3N_A_DLUA398_1
(PFV INTEGRASE)		3f9e 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 8
ASP A 187
GLY A 179
TYR A 182
ARG A 105
1.46A21.48
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.
3S3M_A_DLUA398_1
(PFV INTEGRASE)		3f9f 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 8
GLY B   2
TYR A 126
GLN B 127
GLU B 288
1.32A21.39
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.
3S3N_A_DLUA398_1
(PFV INTEGRASE)		3f9f 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 8
GLY B   2
TYR A 126
GLN B 127
GLU B 288
1.34A21.39
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.
3S3N_A_DLUA398_1
(PFV INTEGRASE)		3f9g 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 8
GLY A   2
TYR B 126
GLN A 127
GLU A 288
1.32A21.45
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.
3S3M_A_DLUA398_1
(PFV INTEGRASE)		3f9g 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 8
GLY A   2
TYR B 126
GLN A 127
GLU A 288
1.28A21.45
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.
3S3N_A_DLUA398_1
(PFV INTEGRASE)		3m3v 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 8
ASP B 187
GLY B 179
TYR B 182
ARG B 105
1.48A22.11
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.
3S3M_A_DLUA398_1
(PFV INTEGRASE)		3mj5 REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		4 / 8
ASP A 215
GLY A 220
TYR A 208
ARG A 184
1.39A21.78
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3S3O_A_DLUA399_1
(PFV INTEGRASE)		3sci ACE2
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARSr-CoV)		4 / 7
ASP E 393
ASP E 392
GLN E 492
ARG A 393
1.58A18.64
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.
3S3O_A_DLUA399_1
(PFV INTEGRASE)		3scj ACE2
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARSr-CoV)		4 / 7
ASP E 393
ASP E 392
GLN E 492
ARG A 393
1.68A17.21
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.
3S3N_A_DLUA398_1
(PFV INTEGRASE)		3scj SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 8
GLY E 482
TYR E 440
GLN E 396
ARG E 479
1.44A17.21
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.
3S3N_A_DLUA398_1
(PFV INTEGRASE)		3sck SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 8
GLY F 482
TYR F 440
GLN F 396
ARG F 479
1.35A17.33
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.
3S3M_A_DLUA398_1
(PFV INTEGRASE)		3sck SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 8
GLY E 480
TYR E 484
PRO E 493
GLN E 492
1.51A17.33
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.
3S3N_A_DLUA398_1
(PFV INTEGRASE)		3scl SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 8
ASP F 415
GLY F 368
PRO F 399
GLN F 401
1.49A17.08
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3S3O_A_DLUA399_1
(PFV INTEGRASE)		3scl ACE2
SPIKE GLYCOPROTEIN
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		4 / 7
ASP F 480
TYR F 481
GLN B  37
GLU B  35
1.77A17.08
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3S3O_A_DLUA399_1
(PFV INTEGRASE)		3to2 MHC CLASS I ANTIGEN
(Homo
sapiens)		4 / 7
ASP A 227
PRO A 250
GLN A 253
GLU A 198
1.48A20.71
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.
3S3N_A_DLUA398_1
(PFV INTEGRASE)		3to2 MHC CLASS I ANTIGEN
(Homo
sapiens)		4 / 8
ASP A 227
PRO A 250
GLN A 253
GLU A 198
1.39A20.71
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.
3S3M_A_DLUA398_1
(PFV INTEGRASE)		3to2 MHC CLASS I ANTIGEN
(Homo
sapiens)		4 / 8
ASP A 227
PRO A 250
GLN A 253
GLU A 198
1.44A20.71
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.
3S3M_A_DLUA398_1
(PFV INTEGRASE)		4m0w REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		4 / 8
ASP A 215
GLY A 220
TYR A 208
ARG A 184
1.48A21.71
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.
3S3O_A_DLUA399_1
(PFV INTEGRASE)		4ovz PAPAIN-LIKE
PROTEINASE
(SARS-COV
Urbani)		4 / 7
ASP B 303
TYR B 269
PRO B 248
GLN A 270
1.62A21.78
None
P85  A 902 (-2.7A)
P85  B 902 (-4.0A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3S3N_A_DLUA398_1
(PFV INTEGRASE)		4tww 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 8
ASP B 187
GLY B 179
TYR B 182
ARG B 105
1.48A21.98
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.
3S3N_A_DLUA398_1
(PFV INTEGRASE)		5c8t GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		4 / 8
ASP D 331
GLY D 333
TYR D 392
ARG D 400
1.46A21.49
None
SAM  D 605 (-3.6A)
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.
3S3M_A_DLUA398_1
(PFV INTEGRASE)		5e6j REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 8
ASP D 215
GLY D 220
TYR D 208
ARG D 184
1.48A21.92
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.
3S3M_A_DLUA398_1
(PFV INTEGRASE)		5tl7 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 8
ASP B 215
GLY B 220
TYR B 208
ARG B 184
1.40A21.53
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.
3S3O_A_DLUA399_1
(PFV INTEGRASE)		5tl7 REPLICASE
POLYPROTEIN 1AB
UBIQUITIN-LIKE
PROTEIN ISG15
(Mus
musculus;
SARSr-CoV)		4 / 7
PRO A 128
GLN B 175
GLU A 130
ARG A 151
1.65A11.85
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.
3S3O_A_DLUA399_1
(PFV INTEGRASE)		5x4r S PROTEIN
(MERS-CoV)		4 / 7
TYR A 316
PRO A  76
GLN A 319
ARG A 119
1.78A23.52
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.
3S3N_A_DLUA398_1
(PFV INTEGRASE)		5x4r S PROTEIN
(MERS-CoV)		4 / 8
GLY A  79
TYR A 316
PRO A  76
ARG A 119
1.22A23.52
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.
3S3M_A_DLUA398_1
(PFV INTEGRASE)		5x4r S PROTEIN
(MERS-CoV)		5 / 8
ASP A 338
GLY A  79
TYR A 316
PRO A  76
ARG A 119
1.69A23.52
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.
3S3N_A_DLUA398_1
(PFV INTEGRASE)		5x58 SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		4 / 8
ASP A 296
GLY A 928
GLN A 939
ARG B 758
1.44A15.45
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.
3S3N_A_DLUA398_1
(PFV INTEGRASE)		5x5c S PROTEIN
(MERS-CoV)		4 / 8
GLY B  79
TYR B 316
PRO B  76
ARG B 119
1.23A14.55
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3S3O_A_DLUA399_1
(PFV INTEGRASE)		5x5f S PROTEIN
(MERS-CoV)		4 / 7
ASP A 338
TYR A 316
PRO A  76
ARG A 119
1.22A14.22
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.
3S3M_A_DLUA398_1
(PFV INTEGRASE)		5x5f S PROTEIN
(MERS-CoV)		4 / 8
ASP C 272
GLY C 276
GLN B 627
ARG C 269
1.40A14.22
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.
3S3M_A_DLUA398_1
(PFV INTEGRASE)		5xlr SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 8
ASP A1023
GLY C 871
TYR A1029
GLU C1013
1.37A15.67
ASP  A1023 ( 0.5A)
GLY  C 871 ( 0.0A)
TYR  A1029 ( 1.3A)
GLU  C1013 ( 0.5A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3S3N_A_DLUA398_1
(PFV INTEGRASE)		5xlr SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 8
ASP A1023
GLY C 871
TYR A1029
GLU C1013
1.47A15.67
ASP  A1023 ( 0.5A)
GLY  C 871 ( 0.0A)
TYR  A1029 ( 1.3A)
GLU  C1013 ( 0.5A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3S3M_A_DLUA398_1
(PFV INTEGRASE)		5y3e REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		4 / 8
ASP A 215
GLY A 220
TYR A 208
ARG A 184
1.44A21.62
None
None
None
NA  A 406 (-2.8A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3S3O_A_DLUA399_1
(PFV INTEGRASE)		6acc SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 7
ASP A1023
TYR A1029
GLU C1013
ARG A1089
1.80A15.50
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.
3S3N_A_DLUA398_1
(PFV INTEGRASE)		6acg SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 8
ASP C1109
GLY C1067
TYR C1070
GLU B 900
1.13A15.58
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3S3M_A_DLUA398_1
(PFV INTEGRASE)		6acg SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 8
ASP C1023
GLY B 873
GLN C1018
ARG C1089
1.11A15.58
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3S3M_A_DLUA398_1
(PFV INTEGRASE)		6cs2 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 8
ASP A1128
PRO A1125
GLN A1124
GLU A1126
1.04A15.53
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.
3S3N_A_DLUA398_1
(PFV INTEGRASE)		6cs2 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 8
ASP A1128
PRO A1125
GLN A1124
GLU A1126
1.18A15.53
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.
3S3O_A_DLUA399_1
(PFV INTEGRASE)		6cs2 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 7
ASP A1128
PRO A1125
GLN A1124
GLU A1126
1.03A15.45
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.
3S3M_A_DLUA398_1
(PFV INTEGRASE)		6cs2 ACE2
SPIKE
GLYCOPROTEIN,FIBRITI
N
(Homo
sapiens;
SARSr-CoV)		4 / 8
ASP D 355
GLY D 352
TYR B 491
GLN D 325
1.38A20.03
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3S3N_A_DLUA398_1
(PFV INTEGRASE)		6cs2 ACE2
SPIKE
GLYCOPROTEIN,FIBRITI
N
(Homo
sapiens;
SARSr-CoV)		4 / 8
ASP D 355
GLY D 352
TYR B 491
GLN D 325
1.41A20.03
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3S3M_A_DLUA398_1
(PFV INTEGRASE)		6iex MHC CLASS I ANTIGEN
(Homo
sapiens)		4 / 8
GLY A  26
PRO A  47
GLU A  46
ARG A 239
1.35A19.80
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.
3S3N_A_DLUA398_1
(PFV INTEGRASE)		6iex MHC CLASS I ANTIGEN
(Homo
sapiens)		4 / 8
GLY A  26
PRO A  47
GLU A  46
ARG A 239
1.50A19.80
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.
3S3O_A_DLUA399_1
(PFV INTEGRASE)		6m18 ACE2
(Homo
sapiens)		4 / 7
ASP B 136
PRO B 138
GLN B 139
GLU B 140
1.50A20.32
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3S3O_A_DLUA399_1
(PFV INTEGRASE)		6m18 SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		4 / 7
ASP C 173
TYR C 174
PRO C 171
GLU C 405
1.73A21.75
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.
3S3N_A_DLUA398_1
(PFV INTEGRASE)		6m1d ACE2
(Homo
sapiens)		4 / 8
ASP B 350
GLY B 354
PRO B 389
GLN B  96
1.40A20.32
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3S3M_A_DLUA398_1
(PFV INTEGRASE)		6m1d ACE2
(Homo
sapiens)		4 / 8
ASP B 350
GLY B 354
PRO B 389
GLN B  96
1.41A20.32
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3S3M_A_DLUA398_1
(PFV INTEGRASE)		6nur NSP12
(SARSr-CoV)		4 / 8
ASP A 274
GLY A 352
TYR A 294
GLU A 277
1.40A19.14
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.
3S3N_A_DLUA398_1
(PFV INTEGRASE)		6nur NSP12
(SARSr-CoV)		4 / 8
ASP A 274
GLY A 352
TYR A 294
GLU A 277
1.41A19.14
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.
3S3M_A_DLUA398_1
(PFV INTEGRASE)		6vw1 ACE2
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		4 / 8
ASP F 406
GLY F 504
GLN F 493
ARG B 393
1.06A19.30
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.
3S3N_A_DLUA398_1
(PFV INTEGRASE)		6vw1 ACE2
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		4 / 8
ASP E 406
GLY E 504
GLN E 493
ARG A 393
1.29A19.30
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.
3S3O_A_DLUA399_1
(PFV INTEGRASE)		6vw1 ACE2
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		4 / 7
ASP E 406
ASP E 405
GLN E 506
ARG A 393
1.64A19.30
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.
3S3N_A_DLUA398_1
(PFV INTEGRASE)		6vw1 ACE2
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		4 / 8
ASP B 355
GLY B 326
GLN B  42
ARG F 439
1.47A20.13
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.
3S3N_A_DLUA398_1
(PFV INTEGRASE)		6w41 CR3022 FAB HEAVY
CHAIN
CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		4 / 8
GLY H  94
TYR L  36
PRO L  44
GLN L  38
1.49A18.35
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3S3N_A_DLUA398_1
(PFV INTEGRASE)		6w41 CR3022 FAB HEAVY
CHAIN
CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		4 / 8
GLY H  42
PRO L  40
GLN L  42
GLU L 165
1.79A18.35
None
None
SO4  L 302 (-4.2A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3S3M_A_DLUA398_1
(PFV INTEGRASE)		6w41 CR3022 FAB HEAVY
CHAIN
CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		4 / 8
GLY H  42
PRO L  40
GLN L  42
GLU L 165
1.72A18.23
None
None
SO4  L 302 (-4.2A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3S3M_A_DLUA398_1
(PFV INTEGRASE)		6w41 CR3022 FAB HEAVY
CHAIN
CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		4 / 8
GLY H  94
TYR L  36
PRO L  44
GLN L  38
1.58A18.23
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.
3S3N_A_DLUA398_1
(PFV INTEGRASE)		6yla HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		4 / 8
GLY B  98
TYR C  42
PRO C  49
GLN C  48
1.70A19.19
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3S3N_A_DLUA398_1
(PFV INTEGRASE)		6yla HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		4 / 8
GLY H  98
TYR L  42
PRO L  49
GLN L  48
1.73A19.19
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3S3M_A_DLUA398_1
(PFV INTEGRASE)		6yla HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		4 / 8
GLY H  98
TYR L  42
PRO L  49
GLN L  48
1.77A19.19
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3S3M_A_DLUA398_1
(PFV INTEGRASE)		6yla HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		4 / 8
GLY B  98
TYR C  42
PRO C  49
GLN C  48
1.73A19.19
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3S3M_A_DLUA398_1
(PFV INTEGRASE)		6ym0 HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		4 / 8
GLY H  98
TYR L  42
PRO L  49
GLN L  48
1.72A18.70
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3S3N_A_DLUA398_1
(PFV INTEGRASE)		6ym0 HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		4 / 8
GLY H  98
TYR L  42
PRO L  49
GLN L  48
1.68A18.70
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3S3N_A_DLUA398_1
(PFV INTEGRASE)		6yor IGG H CHAIN
IGG L CHAIN
(Homo
sapiens)		4 / 8
GLY H  98
TYR L  42
PRO L  49
GLN L  48
1.73A19.19
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3S3M_A_DLUA398_1
(PFV INTEGRASE)		6yor IGG H CHAIN
IGG L CHAIN
(Homo
sapiens)		4 / 8
GLY B  98
TYR C  42
PRO C  49
GLN C  48
1.77A19.19
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3S3M_A_DLUA398_1
(PFV INTEGRASE)		6yor IGG H CHAIN
IGG L CHAIN
(Homo
sapiens)		4 / 8
GLY H  98
TYR L  42
PRO L  49
GLN L  48
1.77A19.19
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3S3N_A_DLUA398_1
(PFV INTEGRASE)		6yor IGG H CHAIN
IGG L CHAIN
(Homo
sapiens)		4 / 8
GLY B  98
TYR C  42
PRO C  49
GLN C  48
1.73A19.19
None