Ligand ID: BCZ


Drugbank ID:
DB06614
(Peramivir)


Indication:
Investigated for use/treatment in influenza.

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

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'BCZ' 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.
3K39_O_BCZO1001_0
(NEURAMINIDASE)		1x7q HLA, A-11
(Homo
sapiens)		5 / 12
ARG A  65
ARG A 163
GLU A  58
GLU A  55
ARG A  44
1.74A18.78
None
SO4  A4003 (-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.
3K37_A_BCZA468_1
(NEURAMINIDASE)		1x7q HLA, A-11
(Homo
sapiens)		3 / 3
ASP A  37
ARG A  35
ARG A  14
1.15A20.05
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.
3K37_A_BCZA468_1
(NEURAMINIDASE)		1x7q BETA-2-MICROGLOBULIN
HLA, A-11
(Homo
sapiens)		3 / 3
ASP B  53
ARG A  48
ARG A  21
1.41A14.53
None
None
SO4  B4001 (-3.2A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MWV_A_BCZA513_1
(NEURAMINIDASE)		2ahm REPLICASE
POLYPROTEIN 1AB,
HEAVY CHAIN
REPLICASE
POLYPROTEIN 1AB,
LIGHT CHAIN
(SARSr-CoV)		3 / 3
ARG D  26
GLU D  28
ARG H  85
1.74A11.94
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.
2HTU_A_BCZA801_0
(NEURAMINIDASE)		2ahm REPLICASE
POLYPROTEIN 1AB,
HEAVY CHAIN
REPLICASE
POLYPROTEIN 1AB,
LIGHT CHAIN
(SARSr-CoV)		5 / 12
GLU B  55
LEU F 127
ARG F 195
SER B  59
ILE F 111
1.59A14.16
None
GOL  F2005 (-3.4A)
None
GOL  F2005 ( 4.9A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MWV_A_BCZA513_0
(NEURAMINIDASE)		2dd8 SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
GLU S 452
LEU S 448
ARG S 444
ILE S 455
ARG S 453
1.40A19.85
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.
3K39_D_BCZD1001_0
(NEURAMINIDASE)		2fe8 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
GLU B  68
LEU B  65
ASP B  13
ALA B 130
GLU B  71
1.57A19.72
None
None
None
SO4  B 320 ( 4.5A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K39_B_BCZB1001_0
(NEURAMINIDASE)		2fe8 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
GLU B  68
LEU B  65
ASP B  13
ALA B 130
GLU B  71
1.57A19.72
None
None
None
SO4  B 320 ( 4.5A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K39_C_BCZC1001_0
(NEURAMINIDASE)		2fe8 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
GLU B  68
LEU B  65
ASP B  13
ALA B 130
GLU B  71
1.57A19.72
None
None
None
SO4  B 320 ( 4.5A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K37_B_BCZB468_0
(NEURAMINIDASE)		2fe8 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
GLU B  68
LEU B  65
ASP B  13
ALA B 130
GLU B  71
1.57A19.72
None
None
None
SO4  B 320 ( 4.5A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K39_A_BCZA1001_0
(NEURAMINIDASE)		2ghw SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
ARG C 449
GLU C 452
LEU C 448
ARG C 444
ARG C 453
1.70A17.37
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2HTU_A_BCZA801_0
(NEURAMINIDASE)		2ghw SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
GLU A 452
LEU A 448
ARG A 444
ILE A 455
ARG A 453
1.37A21.81
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.
3K37_A_BCZA468_0
(NEURAMINIDASE)		2ghw SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
ARG C 449
GLU C 452
LEU C 448
ARG C 444
ARG C 453
1.72A17.16
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.
3K39_D_BCZD1001_0
(NEURAMINIDASE)		2ghw ANTI-SCFV ANTIBODY,
80R
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARSr-CoV)		5 / 12
LEU C 472
ASP D 192
ARG D 186
ARG D 193
GLU D 211
1.64A17.37
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K39_B_BCZB1001_0
(NEURAMINIDASE)		2ghw SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
ARG C 449
GLU C 452
LEU C 448
ARG C 444
ARG C 453
1.72A17.37
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K39_C_BCZC1001_0
(NEURAMINIDASE)		2ghw ANTI-SCFV ANTIBODY,
80R
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARSr-CoV)		5 / 12
LEU C 472
ASP D 192
ARG D 186
ARG D 193
GLU D 211
1.65A17.37
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MX0_A_BCZA513_0
(NEURAMINIDASE)		2k87 NSP3 OF REPLICASE
POLYPROTEIN 1A
(SARSr)		6 / 12
GLU A   4
ARG A  68
ARG A  68
GLU A   4
GLU A   4
TYR A   2
1.50A14.13
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.
1L7F_A_BCZA801_0
(NEURAMINIDASE)		2k87 NSP3 OF REPLICASE
POLYPROTEIN 1A
(SARSr)		5 / 12
GLU A   4
ARG A  68
GLU A   4
GLU A   4
TYR A   2
1.48A13.85
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.
4MX0_A_BCZA513_0
(NEURAMINIDASE)		2k87 NSP3 OF REPLICASE
POLYPROTEIN 1A
(SARSr)		5 / 12
ARG A  68
ARG A  68
GLU A   4
GLU A   4
TYR A   2
1.36A14.13
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.
4MX0_A_BCZA513_0
(NEURAMINIDASE)		2k87 NSP3 OF REPLICASE
POLYPROTEIN 1A
(SARSr)		5 / 12
GLU A   4
ARG A  68
GLU A   4
GLU A   4
TYR A   2
1.29A14.13
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.
2HTU_A_BCZA801_0
(NEURAMINIDASE)		3bgf SPIKE PROTEIN S1
(SARSr-CoV)		5 / 12
GLU A 452
LEU A 448
ARG A 444
ILE A 455
ARG A 453
1.42A21.57
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2HTU_A_BCZA801_0
(NEURAMINIDASE)		3d0g SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
GLU F 452
LEU F 448
ARG F 444
ILE F 455
ARG F 453
1.51A21.45
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.
3K37_A_BCZA468_0
(NEURAMINIDASE)		3d0h ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 12
ARG B 273
GLU B 406
ALA B 348
GLU B 402
TYR B 515
1.41A19.51
None
None
None
ZN  B 901 (-2.8A)
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.
3K37_B_BCZB468_1
(NEURAMINIDASE)		3i6g HLA, A-2
MEMBRANE PROTEIN
(Homo
sapiens)		3 / 3
ARG A  65
GLU D 154
TYR F   6
1.69A19.60
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.
3K37_A_BCZA468_1
(NEURAMINIDASE)		3i6g HLA, A-2
(Homo
sapiens)		3 / 3
ASP A  37
ARG A  35
ARG A  14
0.98A19.60
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.
1L7G_A_BCZA801_0
(NEURAMINIDASE)		3iwm 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
LEU A 205
TRP A 207
ILE C 281
GLU C 270
ARG A 222
1.75A21.36
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.
1L7F_A_BCZA801_0
(NEURAMINIDASE)		3iwm 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
LEU A 205
TRP A 207
ILE C 281
GLU C 270
ARG A 222
1.77A21.36
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.
4MWV_A_BCZA513_1
(NEURAMINIDASE)		3iwm 3C-LIKE PROTEINASE
(SARSr-CoV)		3 / 3
ARG B 279
GLU D 270
ARG D 279
1.50A21.25
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MWV_A_BCZA513_0
(NEURAMINIDASE)		3iwm 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
LEU A 205
TRP A 207
ILE C 281
GLU C 270
ARG A 222
1.79A21.25
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K37_B_BCZB468_1
(NEURAMINIDASE)		3mj5 REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		3 / 3
ARG B 167
GLU A 162
TYR A 113
1.51A20.38
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.
2HTU_A_BCZA801_0
(NEURAMINIDASE)		3sci SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
GLU E 452
LEU E 448
ARG E 444
ILE E 455
ARG E 453
1.43A20.41
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.
3K37_A_BCZA468_0
(NEURAMINIDASE)		3sci ACE2
(Homo
sapiens)		5 / 12
ARG B 273
GLU B 406
ALA B 348
GLU B 402
TYR B 515
1.52A19.97
None
None
None
ZN  B 901 (-2.2A)
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.
3K37_B_BCZB468_1
(NEURAMINIDASE)		3sci ACE2
(Homo
sapiens)		3 / 3
ARG B 460
GLU B 398
TYR B 202
1.56A19.97
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.
3K37_A_BCZA468_0
(NEURAMINIDASE)		3scl ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 12
ARG B 273
GLU B 406
ALA B 348
GLU B 402
TYR B 515
1.60A19.61
None
None
None
ZN  B 901 (-2.6A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MWV_A_BCZA513_1
(NEURAMINIDASE)		3sna 3C-LIKE PROTEINASE
(SARSr-CoV)		3 / 3
ARG A  40
GLU A  55
ARG A 188
1.64A21.84
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K39_B_BCZB1001_0
(NEURAMINIDASE)		5wrg SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
ARG C 449
GLU C 452
LEU C 448
ARG C 444
ARG C 453
1.49A16.03
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.
3K37_A_BCZA468_0
(NEURAMINIDASE)		5wrg SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
ARG C 449
GLU C 452
LEU C 448
ARG C 444
ARG C 453
1.53A16.12
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K39_O_BCZO1001_0
(NEURAMINIDASE)		5wrg SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
ARG C 449
GLU C 452
LEU C 448
ARG C 444
ARG C 453
1.49A16.03
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.
2HTU_A_BCZA801_0
(NEURAMINIDASE)		5wrg SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
GLU C 452
LEU C 448
ARG C 444
ILE C 455
ARG C 453
1.28A15.29
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.
3K39_C_BCZC1001_0
(NEURAMINIDASE)		5wrg SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
ARG C 449
GLU C 452
LEU C 448
ARG C 444
ARG C 453
1.49A16.03
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.
3K39_D_BCZD1001_0
(NEURAMINIDASE)		5wrg SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
GLU C 452
LEU C 448
ASP C 454
ARG C 444
ARG C 453
1.72A16.03
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.
3K39_A_BCZA1001_0
(NEURAMINIDASE)		5wrg SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
ARG C 449
GLU C 452
LEU C 448
ARG C 444
ARG C 453
1.48A16.03
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.
3K37_B_BCZB468_0
(NEURAMINIDASE)		5wrg SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
ARG C 449
GLU C 452
LEU C 448
ARG C 444
ARG C 453
1.51A16.12
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K37_B_BCZB468_1
(NEURAMINIDASE)		5x58 SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		3 / 3
ARG C  48
GLU C  45
TYR C 197
1.24A15.66
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.
4MX0_A_BCZA513_0
(NEURAMINIDASE)		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		5 / 12
LEU B 448
ARG B 453
TRP B 340
GLU B 452
ALA C 127
1.78A15.01
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.
3K37_A_BCZA468_1
(NEURAMINIDASE)		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		3 / 3
ASP A 961
ARG A 965
ARG C 553
1.00A15.66
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.
3K37_B_BCZB468_1
(NEURAMINIDASE)		5x5f S PROTEIN
(MERS-CoV)		3 / 3
ARG B 887
GLU B 944
TYR B 905
1.69A14.92
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.
4MWV_A_BCZA513_0
(NEURAMINIDASE)		5xlr SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
GLU A 452
LEU A 448
ARG A 444
ILE A 455
ARG A 453
1.41A15.68
GLU  A 452 ( 0.5A)
LEU  A 448 ( 0.6A)
ARG  A 444 ( 0.6A)
ILE  A 455 ( 0.7A)
ARG  A 453 ( 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.
1L7F_A_BCZA801_0
(NEURAMINIDASE)		5xlr SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
GLU A 452
LEU A 448
ARG A 444
ILE A 455
ARG A 453
1.42A14.70
GLU  A 452 ( 0.5A)
LEU  A 448 ( 0.6A)
ARG  A 444 ( 0.6A)
ILE  A 455 ( 0.7A)
ARG  A 453 ( 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.
1L7H_A_BCZA801_0
(NEURAMINIDASE)		5xlr SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
GLU A 452
LEU A 448
ARG A 444
ILE A 455
ARG A 453
1.42A14.77
GLU  A 452 ( 0.5A)
LEU  A 448 ( 0.6A)
ARG  A 444 ( 0.6A)
ILE  A 455 ( 0.7A)
ARG  A 453 ( 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.
4MX0_A_BCZA513_0
(NEURAMINIDASE)		5xlr SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
GLU C 452
LEU C 448
ARG C 453
TRP C 340
ALA B 127
1.59A15.25
GLU  C 452 ( 0.5A)
LEU  C 448 ( 0.6A)
ARG  C 453 ( 0.6A)
TRP  C 340 ( 0.5A)
ALA  B 127 ( 0.0A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2HTU_A_BCZA801_0
(NEURAMINIDASE)		6acc SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
GLU C 452
LEU C 448
ARG C 444
ILE C 455
ARG C 453
1.61A15.38
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.
4MX0_A_BCZA513_0
(NEURAMINIDASE)		6acc SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
LEU C 448
ARG C 453
TRP C 340
GLU C 452
ALA B 127
1.64A15.25
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K39_O_BCZO1001_0
(NEURAMINIDASE)		6acd SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
ARG B 449
GLU B 452
LEU B 448
ARG B 444
ALA A 127
1.61A16.03
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.
3K37_A_BCZA468_0
(NEURAMINIDASE)		6acd SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
ARG B 449
GLU B 452
LEU B 448
ARG B 444
ALA A 127
1.66A16.12
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K39_A_BCZA1001_0
(NEURAMINIDASE)		6acd SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
ARG B 449
GLU B 452
LEU B 448
ARG B 444
ALA A 127
1.60A16.03
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.
4MWV_A_BCZA513_0
(NEURAMINIDASE)		6acg SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
GLU B 452
LEU B 448
ASP B 454
ARG B 444
ARG B 453
1.44A15.68
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.
1L7H_A_BCZA801_0
(NEURAMINIDASE)		6acg SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
GLU B 452
LEU B 448
ASP B 454
ARG B 444
ARG B 453
1.47A14.96
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.
3K37_B_BCZB468_1
(NEURAMINIDASE)		6acg SPIKE GLYCOPROTEIN
(SARSr-CoV)		3 / 3
ARG B 887
GLU B1013
TYR C1029
1.52A16.12
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1L7F_A_BCZA801_0
(NEURAMINIDASE)		6acg SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
GLU B 452
LEU B 448
ASP B 454
ARG B 444
ARG B 453
1.47A14.89
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.
3K37_A_BCZA468_1
(NEURAMINIDASE)		6acj ACE2
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARSr-CoV)		3 / 3
ASP C 392
ARG C 395
ARG D 393
1.23A16.12
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K37_B_BCZB468_0
(NEURAMINIDASE)		6ack SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
GLU A 452
LEU A 448
ASP A 454
ARG A 444
ARG A 453
1.42A16.12
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K39_B_BCZB1001_0
(NEURAMINIDASE)		6ack SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
GLU A 452
LEU A 448
ASP A 454
ARG A 444
ARG A 453
1.41A16.03
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.
3K39_C_BCZC1001_0
(NEURAMINIDASE)		6ack SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
GLU A 452
LEU A 448
ASP A 454
ARG A 444
ARG A 453
1.42A16.03
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.
3K39_D_BCZD1001_0
(NEURAMINIDASE)		6ack SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
GLU A 452
LEU A 448
ASP A 454
ARG A 444
ARG A 453
1.40A16.03
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.
3K37_B_BCZB468_1
(NEURAMINIDASE)		6crw SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		3 / 3
ARG B 761
GLU A 647
TYR A 677
1.15A15.94
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.
3K39_B_BCZB1001_0
(NEURAMINIDASE)		6crw SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
ARG B 449
LEU B 448
ARG B 444
ARG B 453
ARG B 342
1.72A15.86
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.
3K37_A_BCZA468_1
(NEURAMINIDASE)		6crw SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		3 / 3
ASP C 557
ARG C 553
ARG A 982
1.35A15.94
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.
4MX0_A_BCZA513_1
(NEURAMINIDASE)		6crw SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		3 / 3
ARG C1073
ASP C1100
ARG A1073
1.14A15.65
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1L7G_A_BCZA801_0
(NEURAMINIDASE)		6crw SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
LEU B 448
ARG B 444
ILE B 455
ARG B 453
ARG B 342
1.61A15.16
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.
3K39_D_BCZD1001_0
(NEURAMINIDASE)		6crw SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
GLU B 452
LEU B 448
ARG B 444
ARG B 453
ARG B 342
1.73A15.86
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.
3K37_B_BCZB468_0
(NEURAMINIDASE)		6crw SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
ARG B 449
LEU B 448
ARG B 444
ARG B 453
ARG B 342
1.75A15.94
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.
4MWV_A_BCZA513_1
(NEURAMINIDASE)		6crw SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		3 / 3
ARG A1073
GLU B1074
ARG C1073
1.35A15.83
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.
1L7H_A_BCZA801_0
(NEURAMINIDASE)		6crx SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
GLU A 452
LEU A 448
ARG A 444
ILE A 455
ARG A 453
1.72A15.31
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.
3K37_A_BCZA468_0
(NEURAMINIDASE)		6crz SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
ARG C1001
GLU B 999
ARG B1001
ALA A1002
GLU A 999
1.58A15.94
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.
4MX0_A_BCZA513_0
(NEURAMINIDASE)		6crz SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
LEU C 448
ARG C 453
TRP C 340
GLU C 452
ALA A 127
1.67A15.65
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2HTU_A_BCZA801_0
(NEURAMINIDASE)		6crz SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
GLU A 452
LEU A 448
ILE A 455
ARG A 453
ARG A 342
1.32A15.35
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.
3K39_C_BCZC1001_0
(NEURAMINIDASE)		6crz SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
ARG C1001
GLU B 999
ARG B1001
ALA A1002
GLU A 999
1.62A15.86
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.
1L7F_A_BCZA801_0
(NEURAMINIDASE)		6crz SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
GLU A 452
LEU A 448
ILE A 455
ARG A 453
ARG A 342
1.30A15.24
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K39_A_BCZA1001_0
(NEURAMINIDASE)		6cs0 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
ARG C1001
GLU B 999
ARG B1001
ALA A1002
GLU A 999
1.61A15.86
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.
4MWV_A_BCZA513_0
(NEURAMINIDASE)		6cs0 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
GLU A 452
LEU A 448
ILE A 455
ARG A 453
ARG A 342
1.29A15.83
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.
3K39_O_BCZO1001_0
(NEURAMINIDASE)		6cs1 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
ARG A  38
GLU A 184
LEU A 216
ALA A 251
GLU A  93
1.63A15.86
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.
1L7H_A_BCZA801_1
(NEURAMINIDASE)		6cs2 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		3 / 3
ARG A1001
ARG C 996
ARG A 758
0.83A15.31
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.
1L7F_A_BCZA801_1
(NEURAMINIDASE)		6cs2 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		3 / 3
ARG A1001
ARG C 996
ARG A 758
0.83A15.24
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K37_B_BCZB468_0
(NEURAMINIDASE)		6cs2 ACE2
(Homo
sapiens)		5 / 12
ARG D 514
GLU D 398
ARG D 204
GLU D 457
ARG D 460
1.79A20.13
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.
3K37_A_BCZA468_1
(NEURAMINIDASE)		6iex MHC CLASS I ANTIGEN
(Homo
sapiens)		3 / 3
ASP A  37
ARG A  35
ARG A  14
1.37A21.57
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K37_A_BCZA468_1
(NEURAMINIDASE)		6jyt HELICASE
(SARSr-CoV)		3 / 3
ASP A 315
ARG A 332
ARG A 178
1.09A20.10
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.
3K37_B_BCZB468_1
(NEURAMINIDASE)		6jyt HELICASE
(SARSr-CoV)		3 / 3
ARG B 427
GLU B 128
TYR B 277
1.19A20.10
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.
3K37_B_BCZB468_1
(NEURAMINIDASE)		6m17 ACE2
(Homo
sapiens)		3 / 3
ARG B 652
GLU B 668
TYR B 641
0.78A18.34
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.
3K37_A_BCZA468_0
(NEURAMINIDASE)		6m18 ACE2
(Homo
sapiens)		5 / 12
LEU D 656
ALA B 632
GLU B 639
ARG D 710
TYR D 649
1.67A18.34
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.
3K39_A_BCZA1001_0
(NEURAMINIDASE)		6m18 ACE2
(Homo
sapiens)		5 / 12
LEU D 656
ALA B 632
GLU B 639
ARG D 710
TYR D 649
1.63A17.78
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.
3K39_N_BCZN1001_0
(NEURAMINIDASE)		6m18 ACE2
(Homo
sapiens)		5 / 12
LEU D 656
ALA B 632
GLU B 639
ARG D 710
TYR D 649
1.65A17.78
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.
3K39_O_BCZO1001_0
(NEURAMINIDASE)		6m18 SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		5 / 12
ARG C  32
GLU C  28
ARG C  95
GLU C  25
ALA C  91
1.73A21.08
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.
3K39_A_BCZA1001_0
(NEURAMINIDASE)		6m18 SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		5 / 12
ARG C  32
GLU C  28
ARG C  95
GLU C  25
ALA C  91
1.74A21.08
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.
2HTU_A_BCZA801_0
(NEURAMINIDASE)		6m18 SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		5 / 12
TRP C 563
SER C 169
ILE C 401
GLU C 405
ARG C 332
1.75A19.15
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K39_C_BCZC1001_0
(NEURAMINIDASE)		6m18 SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		5 / 12
ARG C  32
GLU C  28
ARG C  95
GLU C  25
ALA C  91
1.74A21.08
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.
3K39_B_BCZB1001_0
(NEURAMINIDASE)		6m18 SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		5 / 12
ARG C  32
GLU C  28
ARG C  95
GLU C  25
ALA C  91
1.74A21.08
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.
3K39_B_BCZB1001_0
(NEURAMINIDASE)		6m18 ACE2
(Homo
sapiens)		5 / 12
LEU D 656
ALA B 632
GLU B 639
ARG D 710
TYR D 649
1.63A17.78
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.
2F10_A_BCZA382_0
(SIALIDASE 2)		6m1d ACE2
(Homo
sapiens)		5 / 12
ARG B 514
GLU B 457
TYR B 183
LEU B 120
TYR B 510
1.69A18.71
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.
2HTU_A_BCZA801_0
(NEURAMINIDASE)		6m1d ACE2
(Homo
sapiens)		5 / 12
GLU B 166
SER B 167
ILE B 151
GLU B 160
TYR B 158
1.56A18.92
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.
1L7H_A_BCZA801_1
(NEURAMINIDASE)		6nb7 SPIKE GLYCOPROTEIN
(SARSr-CoV)		3 / 3
ARG A1001
ARG B 996
ARG A 758
0.95A15.59
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.
1L7F_A_BCZA801_1
(NEURAMINIDASE)		6nb7 SPIKE GLYCOPROTEIN
(SARSr-CoV)		3 / 3
ARG A1001
ARG B 996
ARG A 758
0.94A15.52
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.
4MX0_A_BCZA513_1
(NEURAMINIDASE)		6nb8 S230 ANTIGEN-BINDING
(FAB) FRAGMENT,
LIGHT CHAIN
(Homo
sapiens)		3 / 3
ARG L  44
ASP L  87
ARG L  50
1.76A19.89
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.
3K37_B_BCZB468_0
(NEURAMINIDASE)		6nur NSP12
(SARSr-CoV)		5 / 12
ARG A 305
GLU A 474
ASP A 304
ARG A 640
ALA A 311
1.70A17.21
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.
3K39_O_BCZO1001_0
(NEURAMINIDASE)		6nur NSP12
(SARSr-CoV)		5 / 12
ARG A 285
GLU A 254
LEU A 251
GLU A 277
GLU A 278
1.77A17.10
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.
3K39_C_BCZC1001_0
(NEURAMINIDASE)		6nus NSP12
(SARSr-CoV)		5 / 12
ARG A 305
GLU A 474
ASP A 304
ARG A 640
ALA A 311
1.78A17.10
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.
3K39_B_BCZB1001_0
(NEURAMINIDASE)		6nus NSP12
(SARSr-CoV)		5 / 12
ARG A 305
GLU A 474
ASP A 304
ARG A 640
ALA A 311
1.79A17.10
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.
3K37_A_BCZA468_0
(NEURAMINIDASE)		6vw1 ACE2
(Homo
sapiens)		5 / 12
ARG B 273
GLU B 406
ALA B 348
GLU B 402
TYR B 515
1.49A20.03
None
None
None
ZN  B 703 ( 4.3A)
None