Ligand ID: LEI


Drugbank ID:
DB00859
(Penicillamine)


Indication:
For treatment of Wilson's disease, cystinuria and active rheumatoid arthritis.

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

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

Click here for results that match SARS-Cov-2 / COVID-19 structures only
Click here for results that match SARS-related structures only


1) User may click on the DrReposER ID (the second column) to get information on the binding sites and drug molecule.
2) Click View (the second last column) to view matched residues and superposition in the NGL viewer (upper right part).
3) User may also click on the Dock (the last column) to get script for molecular docking in UCSF Chimera through AutoDock Vina.

DrReposER ID / Desc. Hit
PDBID		 Hit
Macromolecule		 Res.
Matches		 View Interface RMSD Seq.
Identity (%)		 HETATM Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3H5G_B_LEIB16_0
(COIL SER L16D-PEN)		1q2w 3C-LIKE PROTEASE
(SARSr-CoV)		4 / 5
LEU A 271
GLN A 273
LEU A 268
GLU A 270
1.65A6.56
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3H5G_B_LEIB16_0
(COIL SER L16D-PEN)		1ssk NUCLEOCAPSID PROTEIN
(SARSr-CoV)		4 / 5
LEU A  34
GLN A 138
LEU A 139
GLU A 152
1.60A9.49
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3H5G_B_LEIB16_0
(COIL SER L16D-PEN)		1wnc E2 GLYCOPROTEIN
(SARSr-CoV)		4 / 5
LEU E 927
LYS F 929
GLN F 931
LEU F 930
1.36A19.72
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3H5G_A_LEIA16_0
(COIL SER L16D-PEN)		1wnc E2 GLYCOPROTEIN
(SARSr-CoV)		4 / 6
GLN E1161
LEU E 927
LYS D 929
LEU D 930
1.46A19.72
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3H5G_B_LEIB16_0
(COIL SER L16D-PEN)		1z1i 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 5
LEU A 271
GLN A 273
LEU A 268
GLU A 270
1.41A6.60
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.
3H5G_B_LEIB16_0
(COIL SER L16D-PEN)		1zv7 SPIKE GLYCOPROTEIN
(SARS-COV
FRA)		4 / 5
LEU A  19
GLN A  13
LEU B  26
GLU A  15
1.76A21.05
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.
3H5G_A_LEIA16_0
(COIL SER L16D-PEN)		1zv8 E2 GLYCOPROTEIN
(SARSr-CoV)		4 / 6
LYS I  29
GLN I  31
LEU I  30
LEU K  30
1.47A18.00
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.
3H5G_B_LEIB16_0
(COIL SER L16D-PEN)		1zv8 E2 GLYCOPROTEIN
(SARSr-CoV)		4 / 5
LEU G  30
LYS I  29
GLN I  36
LEU I  30
1.63A18.00
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.
3H5G_A_LEIA16_0
(COIL SER L16D-PEN)		2beq SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 6
LYS C 929
GLN C 936
LEU C 930
LEU B 930
1.53A27.50
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.
3H5G_A_LEIA16_0
(COIL SER L16D-PEN)		2beq SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 6
LYS D1187
GLN D1190
LEU D1185
GLU D1189
1.73A20.83
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.
3H5G_B_LEIB16_0
(COIL SER L16D-PEN)		2beq SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 5
LEU B 930
LYS C 929
GLN C 936
LEU C 930
1.63A27.50
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.
3H5G_B_LEIB16_0
(COIL SER L16D-PEN)		2beq SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 5
LEU D1182
GLN F1183
LEU F1185
GLU F1184
1.54A20.83
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.
3H5G_A_LEIA16_0
(COIL SER L16D-PEN)		2cjr NUCLEOCAPSID PROTEIN
(SARS-COV
TW1)		4 / 6
LYS C 348
GLN C 346
LEU C 340
LEU C 354
1.60A10.16
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.
3H5G_A_LEIA16_0
(COIL SER L16D-PEN)		2cme HYPOTHETICAL PROTEIN
5
(SARSr-CoV)		4 / 6
LYS C  41
GLN C  21
LEU C  22
LEU D  22
1.72A16.67
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.
3H5G_A_LEIA16_0
(COIL SER L16D-PEN)		2cme HYPOTHETICAL PROTEIN
5
(SARSr-CoV)		4 / 6
LYS G  41
GLN G  21
LEU G  22
LEU H  22
1.74A17.57
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.
3H5G_A_LEIA16_0
(COIL SER L16D-PEN)		2fxp SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 6
LYS A  25
GLN A  24
GLU B  26
LEU B  30
1.69A24.49
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3H5G_A_LEIA16_0
(COIL SER L16D-PEN)		2jzf REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 6
LYS A 628
LEU A 596
GLU A 601
LEU A 603
1.67A14.95
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.
3H5G_B_LEIB16_0
(COIL SER L16D-PEN)		2op9 REPLICASE
POLYPROTEIN 1AB
(PP1AB, ORF1AB)
3C-LIKE PROTEINASE
(3CL-PRO, 3CLP)
(SARSr-CoV)		4 / 5
LEU B 271
GLN B 273
LEU B 268
GLU B 270
1.57A6.86
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.
3H5G_B_LEIB16_0
(COIL SER L16D-PEN)		2q6g REPLICASE
POLYPROTEIN 1AB
(SARS-COV
BJ01)		4 / 5
LEU A 271
GLN A 273
LEU A 268
GLU A 270
1.59A6.60
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.
3H5G_B_LEIB16_0
(COIL SER L16D-PEN)		2qiq REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 5
LEU A 271
GLN A 273
LEU A 268
GLU A 270
1.58A5.80
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.
3H5G_B_LEIB16_0
(COIL SER L16D-PEN)		2vj1 MAIN PROTEINASE
(SARSr-CoV)		4 / 5
LEU B 271
GLN B 273
LEU B 268
GLU B 270
1.63A6.47
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3H5G_A_LEIA16_0
(COIL SER L16D-PEN)		2xyq PUTATIVE 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		4 / 6
LYS A 277
LEU A 275
LYS A 216
LEU A 212
1.59A7.17
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3H5G_B_LEIB16_0
(COIL SER L16D-PEN)		2xyq PUTATIVE 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		4 / 5
LEU A  85
LYS A  46
GLN A  52
LEU A  50
1.78A7.17
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3H5G_A_LEIA16_0
(COIL SER L16D-PEN)		2xyv PUTATIVE 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		4 / 6
LEU A 275
GLU A 276
LYS A 214
LEU A 212
1.66A7.17
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3H5G_B_LEIB16_0
(COIL SER L16D-PEN)		2xyv PUTATIVE 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		4 / 5
LEU A  85
LYS A  46
GLN A  52
LEU A  50
1.79A7.17
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3H5G_A_LEIA16_0
(COIL SER L16D-PEN)		3bgf F26G19 FAB
(Mus
musculus)		4 / 6
GLN C  37
LEU C  36
GLU C  38
LEU B  45
1.38A13.95
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.
3H5G_B_LEIB16_0
(COIL SER L16D-PEN)		3bgf F26G19 FAB
(Mus
musculus)		4 / 5
LEU B  45
GLN C  37
LEU C  36
GLU C  38
1.28A8.50
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.
3H5G_B_LEIB16_0
(COIL SER L16D-PEN)		3d0g ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		4 / 5
LEU A  91
GLN A 388
LEU A  95
GLU A 564
1.49A4.49
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3H5G_A_LEIA16_0
(COIL SER L16D-PEN)		3d0i ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		4 / 6
GLN A  98
LEU A 391
LYS A 562
LEU A 392
1.32A4.49
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3H5G_B_LEIB16_0
(COIL SER L16D-PEN)		3d62 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 5
LEU A 271
GLN A 273
LEU A 268
GLU A 270
1.64A5.84
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.
3H5G_B_LEIB16_0
(COIL SER L16D-PEN)		3ea8 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 5
LEU A 271
GLN A 273
LEU A 268
GLU A 270
1.58A6.27
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3H5G_B_LEIB16_0
(COIL SER L16D-PEN)		3eaj 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 5
LEU A 271
GLN A 273
LEU A 268
GLU A 270
1.63A6.27
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3H5G_A_LEIA16_0
(COIL SER L16D-PEN)		3i6g HLA, A-2
(Homo
sapiens)		4 / 6
LYS D 127
GLN D 115
LEU D 130
LEU D 156
1.45A10.23
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.
3H5G_A_LEIA16_0
(COIL SER L16D-PEN)		3iwm 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 6
GLN C 273
LEU C 268
GLU C 270
LEU C 271
1.57A6.60
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.
3H5G_B_LEIB16_0
(COIL SER L16D-PEN)		3m3s 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 5
LEU A 271
GLN A 273
LEU A 268
GLU A 270
1.69A6.60
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.
3H5G_B_LEIB16_0
(COIL SER L16D-PEN)		3m3t 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 5
LEU A 271
GLN A 273
LEU A 268
GLU A 270
1.41A6.56
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3H5G_B_LEIB16_0
(COIL SER L16D-PEN)		3m3v 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 5
LEU B 271
GLN B 273
LEU B 268
GLU B 270
1.48A6.23
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.
3H5G_A_LEIA16_0
(COIL SER L16D-PEN)		3mj5 REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		4 / 6
LYS A 298
GLN A 255
LEU A 254
LEU A 283
1.55A8.00
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.
3H5G_A_LEIA16_0
(COIL SER L16D-PEN)		3scl ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		4 / 6
GLN A  98
LEU A 391
LYS A 562
LEU A 392
1.41A3.98
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.
3H5G_B_LEIB16_0
(COIL SER L16D-PEN)		3scl ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		4 / 5
LEU B  91
GLN B 388
LEU B  95
GLU B 564
1.76A3.98
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.
3H5G_B_LEIB16_0
(COIL SER L16D-PEN)		3sna 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 5
LEU A 271
GLN A 273
LEU A 268
GLU A 270
1.66A6.88
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3H5G_B_LEIB16_0
(COIL SER L16D-PEN)		4hi3 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 5
LEU B 271
GLN B 273
LEU B 268
GLU B 270
1.56A6.73
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.
3H5G_A_LEIA16_0
(COIL SER L16D-PEN)		4m0w REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		4 / 6
LYS A 298
GLN A 255
LEU A 254
LEU A 283
1.74A7.41
None
None
GOL  A 406 (-4.7A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3H5G_B_LEIB16_0
(COIL SER L16D-PEN)		4mds 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 5
LEU A 271
GLN A 273
LEU A 268
GLU A 270
1.59A6.60
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.
3H5G_B_LEIB16_0
(COIL SER L16D-PEN)		4tww 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 5
LEU B 271
GLN B 273
LEU B 268
GLU B 270
1.46A6.60
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.
3H5G_B_LEIB16_0
(COIL SER L16D-PEN)		5b6o 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 5
LEU B 271
GLN B 273
LEU B 268
GLU B 270
1.50A6.33
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.
3H5G_A_LEIA16_0
(COIL SER L16D-PEN)		5tl6 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 6
LYS D 298
GLN D 255
LEU D 254
LEU D 283
1.69A7.92
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.
3H5G_B_LEIB16_0
(COIL SER L16D-PEN)		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		4 / 5
LEU C 804
GLN C 786
LEU C 803
GLU C 801
1.70A2.53
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.
3H5G_A_LEIA16_0
(COIL SER L16D-PEN)		5zvm SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 6
LYS A 929
GLN A 931
LEU A 930
LEU B 930
1.74A17.50
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.
3H5G_B_LEIB16_0
(COIL SER L16D-PEN)		5zvm PAN-COV INHIBITORY
PEPTIDE EK1
SPIKE GLYCOPROTEIN
(SARSr-CoV;
synthetic
construct)		4 / 5
LEU B 930
LYS C 929
GLN C 931
LEU b  16
1.70A17.50
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.
3H5G_A_LEIA16_0
(COIL SER L16D-PEN)		6acj ACE2
(Homo
sapiens)		4 / 6
LYS D  74
GLN D  76
LEU D  73
LEU D 391
1.34A3.98
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.
3H5G_B_LEIB16_0
(COIL SER L16D-PEN)		6acj SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 5
LEU A 286
GLN A 280
LEU A 283
GLU A 285
1.76A2.99
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3H5G_B_LEIB16_0
(COIL SER L16D-PEN)		6acj ACE2
(Homo
sapiens)		4 / 5
LEU D 391
LYS D  74
GLN D  76
LEU D  73
1.65A3.98
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.
3H5G_B_LEIB16_0
(COIL SER L16D-PEN)		6crz SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 5
LEU C 804
LYS C 929
GLN C 931
LEU C 930
1.63A2.53
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.
3H5G_A_LEIA16_0
(COIL SER L16D-PEN)		6cs2 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 6
LYS B 946
LEU B 944
LYS B 818
LEU B 840
1.58A2.53
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.
3H5G_B_LEIB16_0
(COIL SER L16D-PEN)		6iex MHC CLASS I ANTIGEN
(Homo
sapiens;
SARSr-CoV)		4 / 5
LEU C   9
GLN A  72
LEU C   7
GLU A  76
1.71A29.63
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3H5G_B_LEIB16_0
(COIL SER L16D-PEN)		6iex MHC CLASS I ANTIGEN
(Homo
sapiens)		4 / 5
LEU A 172
LYS A 178
LEU A 179
GLU A 180
1.52A7.89
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.
3H5G_A_LEIA16_0
(COIL SER L16D-PEN)		6iex MHC CLASS I ANTIGEN
(Homo
sapiens;
SARSr-CoV)		4 / 6
GLN A  72
LEU C   7
GLU A  76
LEU C   9
1.58A7.89
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.
3H5G_B_LEIB16_0
(COIL SER L16D-PEN)		6lvn SPIKE PROTEIN S2
(SARS-CoV-2)		4 / 5
LEU B  19
GLN B  13
LEU D  26
GLU B  15
1.45A16.67
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.
3H5G_A_LEIA16_0
(COIL SER L16D-PEN)		6lxt SPIKE PROTEIN S2
(SARS-CoV-2)		4 / 6
LYS C 947
GLN C 949
LEU C 948
LEU B 948
1.54A14.73
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.
3H5G_B_LEIB16_0
(COIL SER L16D-PEN)		6lxt SPIKE PROTEIN S2
(SARS-CoV-2)		4 / 5
LEU E 945
LYS D 947
GLN D 949
LEU D 948
1.70A14.73
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.
3H5G_A_LEIA16_0
(COIL SER L16D-PEN)		6m17 ACE2
(Homo
sapiens)		4 / 6
GLN B 429
GLU B 430
LYS B 419
LEU B 424
1.59A4.28
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.
3H5G_B_LEIB16_0
(COIL SER L16D-PEN)		6m18 ACE2
(Homo
sapiens)		4 / 5
LEU B  91
GLN B 388
LEU B  95
GLU B 564
1.56A4.28
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.
3H5G_B_LEIB16_0
(COIL SER L16D-PEN)		6m71 NSP12
(SARS-CoV-2)		4 / 5
LEU A 638
LYS A 574
GLN A 573
LEU A 575
1.71A2.67
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.
3H5G_C_LEIC16_0
(COIL SER L16D-PEN)		6m71 NSP12
NSP7
(SARS-CoV-2)		4 / 6
LYS A 411
GLN C  19
LEU C  17
GLU C  23
1.41A2.67
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.
3H5G_A_LEIA16_0
(COIL SER L16D-PEN)		6m71 NSP12
(SARS-CoV-2)		4 / 6
LYS A 574
GLN A 573
LEU A 575
LEU A 638
1.60A2.67
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.
3H5G_A_LEIA16_0
(COIL SER L16D-PEN)		6nb7 SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 6
LYS A 946
LEU A 944
LYS A 818
LEU A 840
1.73A2.45
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.
3H5G_B_LEIB16_0
(COIL SER L16D-PEN)		6nus NSP12
(SARSr-CoV)		4 / 5
LEU A 638
LYS A 574
GLN A 573
LEU A 575
1.36A2.34
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.
3H5G_A_LEIA16_0
(COIL SER L16D-PEN)		6nus NSP12
(SARSr-CoV)		4 / 6
LYS A 574
GLN A 573
LEU A 575
LEU A 638
1.32A2.34
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.
3H5G_A_LEIA16_0
(COIL SER L16D-PEN)		6vsb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 6
LYS C 641
GLN C 644
LEU C 650
LEU C 611
1.61A1.97
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.
3H5G_B_LEIB16_0
(COIL SER L16D-PEN)		6vsb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 5
LEU A1141
GLN C1142
LEU A1145
GLU A1144
1.61A1.97
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.
3H5G_A_LEIA16_0
(COIL SER L16D-PEN)		6vw1 ACE2
(Homo
sapiens)		4 / 6
GLN A  98
LEU A 391
LYS A 562
LEU A 392
1.39A4.49
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3H5G_A_LEIA16_0
(COIL SER L16D-PEN)		6vxx SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 6
LYS C 641
GLN C 644
LEU C 650
LEU C 611
1.44A2.50
None
NAG  C1309 (-3.7A)
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.
3H5G_A_LEIA16_0
(COIL SER L16D-PEN)		6vyb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 6
LYS A 641
GLN A 644
LEU A 650
LEU A 611
1.46A2.50
None
NAG  A1309 ( 3.9A)
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.
3H5G_B_LEIB16_0
(COIL SER L16D-PEN)		6w4h NSP16
(SARS-CoV-2)		4 / 5
LEU A6883
LYS A6844
GLN A6850
LEU A6848
1.78A7.06
None
ACT  A7103 ( 3.8A)
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.
3H5G_B_LEIB16_0
(COIL SER L16D-PEN)		6w75 NSP16
(SARS-CoV-2)		4 / 5
LEU A6883
LYS A6844
GLN A6850
LEU A6848
1.79A10.53
None
FMT  A7104 ( 4.4A)
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.
3H5G_C_LEIC16_0
(COIL SER L16D-PEN)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		4 / 6
LYS B 200
LEU B 199
GLN B 196
LEU B 185
1.71A8.56
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3H5G_B_LEIB16_0
(COIL SER L16D-PEN)		6wiq NSP7
(SARS-CoV-2)		4 / 5
LEU A  14
GLN A  19
LEU A  17
GLU A  23
1.78A18.07
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3H5G_B_LEIB16_0
(COIL SER L16D-PEN)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 5
LEU A6883
LYS A6844
GLN A6850
LEU A6848
1.80A7.06
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3H5G_A_LEIA16_0
(COIL SER L16D-PEN)		6wkp NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 6
LYS A 156
GLN A 160
LEU A 159
LEU A  56
1.47A12.50
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.
3H5G_B_LEIB16_0
(COIL SER L16D-PEN)		6wkq NSP16
(SARS-CoV-2)		4 / 5
LEU C6883
LYS C6844
GLN C6850
LEU C6848
1.80A7.06
None
FMT  C7112 ( 4.7A)
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.
3H5G_B_LEIB16_0
(COIL SER L16D-PEN)		6wkq NSP16
(SARS-CoV-2)		4 / 5
LEU A6883
LYS A6844
GLN A6850
LEU A6848
1.79A7.06
None
FMT  A7104 ( 4.6A)
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.
3H5G_B_LEIB16_0
(COIL SER L16D-PEN)		6wq3 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 5
LEU A6883
LYS A6844
GLN A6850
LEU A6848
1.79A7.06
None
GTA  A7102 (-2.8A)
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.
3H5G_B_LEIB16_0
(COIL SER L16D-PEN)		6wqd NSP7
(SARS-CoV-2)		4 / 5
LEU A  14
GLN A  19
LEU A  17
GLU A  23
1.53A18.07
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3H5G_B_LEIB16_0
(COIL SER L16D-PEN)		6y2f REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 5
LEU A 271
GLN A 273
LEU A 268
GLU A 270
1.53A6.60
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.
3H5G_C_LEIC16_0
(COIL SER L16D-PEN)		6yla LIGHT CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		4 / 6
LEU A 518
LYS C  36
LEU A 517
GLU A 516
1.64A9.48
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.
3H5G_A_LEIA16_0
(COIL SER L16D-PEN)		7btf NSP12
(SARS-CoV-2)		4 / 6
LYS A 574
GLN A 573
LEU A 575
LEU A 638
1.48A2.67
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.
3H5G_B_LEIB16_0
(COIL SER L16D-PEN)		7btf NSP12
(SARS-CoV-2)		4 / 5
LEU A 638
LYS A 574
GLN A 573
LEU A 575
1.59A2.67
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.
3H5G_A_LEIA16_0
(COIL SER L16D-PEN)		7bv1 NSP12
(SARS-CoV-2)		4 / 6
LYS A 574
GLN A 573
LEU A 575
LEU A 638
1.49A2.73
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.
3H5G_B_LEIB16_0
(COIL SER L16D-PEN)		7bv1 NSP12
(SARS-CoV-2)		4 / 5
LEU A 638
LYS A 574
GLN A 573
LEU A 575
1.41A2.73
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.
3H5G_C_LEIC16_0
(COIL SER L16D-PEN)		7bv1 NSP12
(SARS-CoV-2)		4 / 6
LEU A 638
LYS A 574
GLN A 573
LEU A 575
1.71A2.73
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.
3H5G_C_LEIC16_0
(COIL SER L16D-PEN)		7bv2 NSP12
NSP7
(SARS-CoV-2)		4 / 6
LYS A 411
GLN C  19
LEU C  17
GLU C  23
1.66A2.73
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.
3H5G_B_LEIB16_0
(COIL SER L16D-PEN)		7bv2 NSP12
(SARS-CoV-2)		4 / 5
LEU A 638
LYS A 574
GLN A 573
LEU A 575
1.35A2.73
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.
3H5G_A_LEIA16_0
(COIL SER L16D-PEN)		7bv2 NSP12
(SARS-CoV-2)		4 / 6
LYS A 574
GLN A 573
LEU A 575
LEU A 638
1.26A2.73
None