Ligand ID: LYA


Drugbank ID:
DB00642
(Pemetrexed)


Indication:
Used in combination with cisplatin for the treatment of malignant pleural mesothelioma in adults whose disease is unresectable or who otherwise are not candidates for potentially curative surgery. Also used as a monotherapy for the treatment of locally advanced or metastatic non-small cell lung cancer (NSCLC) after prior chemotherapy

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

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'LYA' 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.
2X9G_A_LYAA1270_2
(PTERIDINE REDUCTASE)		1q2w 3C-LIKE PROTEASE
(SARSr-CoV)		3 / 3
MET A   6
VAL A 157
GLU A  14
1.46A24.15
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.
3K2H_A_LYAA514_1
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		1q2w 3C-LIKE PROTEASE
(SARSr-CoV)		5 / 12
ALA B 206
LEU B 208
THR B 199
LEU B 272
LEU B 287
1.50A21.50
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.
3K2H_A_LYAA514_1
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		1qz8 POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
ALA B  30
ARG B  99
THR B 109
SER A   5
LEU B 103
1.37A12.53
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.
3K2H_A_LYAA513_1
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		1uk2 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
ALA A 116
SER A 144
LEU A 167
GLY A 138
PHE A 140
1.65A21.30
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.
2X9G_A_LYAA1270_2
(PTERIDINE REDUCTASE)		1uk4 3C-LIKE PROTEINASE
(SARSr-CoV)		3 / 3
MET A   6
VAL A 157
GLU A  14
1.26A24.15
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.
3K2H_A_LYAA514_1
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		1wnc E2 GLYCOPROTEIN
(SARSr-CoV)		5 / 12
ALA F1155
LEU F 941
THR E 943
LEU D 944
LEU E 941
1.36A12.65
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.
3K2H_B_LYAB514_1
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		1wnc E2 GLYCOPROTEIN
(SARSr-CoV)		5 / 12
ILE C 913
LEU A 920
ILE B 916
SER B 919
LEU B 920
1.44A12.65
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.
2X9G_A_LYAA1270_2
(PTERIDINE REDUCTASE)		1wof 3C-LIKE PROTEINASE
(SARSr-CoV)		3 / 3
MET A   6
VAL A 157
GLU A  14
1.31A24.51
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K2H_A_LYAA514_1
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		1wof 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
ALA A 206
LEU A 208
THR A 199
LEU A 272
LEU A 287
1.45A21.06
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.
3K2H_A_LYAA514_1
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		1x7q HLA, A-11
(Homo
sapiens)		5 / 12
ALA A  69
PHE A  22
ARG A  14
ILE A  95
LEU A  78
1.37A17.16
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.
3K2H_A_LYAA514_1
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		1xak ORF7A ACCESSORY
PROTEIN
(SARSr-CoV)		5 / 12
ALA A  64
LEU A  62
THR A  13
LEU A  16
LEU A  41
1.48A11.54
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K2H_A_LYAA514_1
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		1z1i 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
ALA A 206
LEU A 268
THR A 199
LEU A 272
LEU A 287
1.45A21.30
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.
4FQS_A_LYAA302_1
(THYMIDYLATE SYNTHASE)		1z1j 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
HIS B1064
ILE B1078
LEU B1089
TYR B1037
VAL B1036
1.48A21.26
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2X9G_A_LYAA1270_2
(PTERIDINE REDUCTASE)		1z1j 3C-LIKE PROTEINASE
(SARSr-CoV)		3 / 3
MET B1006
VAL B1157
GLU B1014
1.46A23.78
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.
2X9G_A_LYAA1270_2
(PTERIDINE REDUCTASE)		2a5k 3C-LIKE PEPTIDASE
(SARSr-CoV)		3 / 3
MET A   6
VAL A 157
GLU A  14
1.41A24.15
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.
3K2H_A_LYAA514_1
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		2acf REPLICASE
POLYPROTEIN 1AB
(SARS-COV
Tor2)		5 / 12
ASP A 349
LEU A 319
ILE A 200
LEU A 308
LEU A 342
1.21A15.90
None
None
None
None
GOL  A1010 (-4.5A)
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.
2X9G_A_LYAA1270_2
(PTERIDINE REDUCTASE)		2ahm REPLICASE
POLYPROTEIN 1AB,
HEAVY CHAIN
REPLICASE
POLYPROTEIN 1AB,
LIGHT CHAIN
(SARSr-CoV)		3 / 3
MET G 134
VAL C  58
GLU H  65
1.38A21.69
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JU6_C_LYAC315_1
(THYMIDYLATE SYNTHASE)		2ajf ACE2
(Homo
sapiens)		5 / 10
ILE B 379
ASP B 355
GLY B 326
PHE B 327
TYR B  41
1.65A19.07
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.
1JU6_A_LYAA317_1
(THYMIDYLATE SYNTHASE)		2ajf ACE2
(Homo
sapiens)		5 / 11
ILE B 379
ASP B 355
GLY B 326
PHE B 327
TYR B  41
1.64A19.07
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.
3K2H_B_LYAB514_1
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		2ajf ACE2
(Homo
sapiens)		5 / 12
ALA B 528
ARG B 559
LEU B 554
SER B 547
LEU B 320
1.46A20.42
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JUJ_A_LYAA315_1
(THYMIDYLATE SYNTHASE)		2ajf ACE2
(Homo
sapiens)		5 / 10
ASN A  49
ASP A 355
LEU A 351
GLY A 352
PHE A  40
1.64A19.07
NAG  A1053 (-3.8A)
None
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K2H_A_LYAA513_1
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		2ajf ACE2
SPIKE PROTEIN
(Homo
sapiens;
SARSr-CoV)		5 / 12
TRP B  69
LEU B  39
LEU B 351
GLY B 352
TYR F 484
1.62A20.42
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2X9G_A_LYAA1270_2
(PTERIDINE REDUCTASE)		2alv REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		3 / 3
MET A   6
VAL A 157
GLU A  14
1.46A24.15
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.
4FQS_A_LYAA302_1
(THYMIDYLATE SYNTHASE)		2amd 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
HIS B 246
ILE B 249
LEU B 253
GLY B 251
VAL B 297
1.55A21.19
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.
1JU6_B_LYAB315_1
(THYMIDYLATE SYNTHASE)		2cjr NUCLEOCAPSID PROTEIN
(SARS-COV
TW1)		5 / 9
ILE B 321
ASN A 355
ASP A 289
LEU A 292
GLY A 288
1.59A20.14
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.
1JU6_D_LYAD315_1
(THYMIDYLATE SYNTHASE)		2cjr NUCLEOCAPSID PROTEIN
(SARS-COV
TW1)		5 / 11
PHE E 315
ILE E 321
ASN F 355
ASP F 289
GLY F 288
1.52A20.14
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.
1JU6_C_LYAC315_1
(THYMIDYLATE SYNTHASE)		2cjr NUCLEOCAPSID PROTEIN
(SARS-COV
TW1)		5 / 10
ILE B 321
ASN A 355
ASP A 289
LEU A 292
GLY A 288
1.58A20.14
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.
1JU6_A_LYAA317_1
(THYMIDYLATE SYNTHASE)		2cjr NUCLEOCAPSID PROTEIN
(SARS-COV
TW1)		5 / 11
PHE C 315
ILE C 321
ASN D 355
ASP D 289
GLY D 288
1.55A20.14
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.
1JUJ_A_LYAA315_1
(THYMIDYLATE SYNTHASE)		2cjr NUCLEOCAPSID PROTEIN
(SARS-COV
TW1)		5 / 10
ILE B 321
ASN A 355
ASP A 289
LEU A 292
GLY A 288
1.49A20.14
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.
3K2H_B_LYAB514_2
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		2dd8 IGG HEAVY CHAIN
(Homo
sapiens)		3 / 3
ARG H  94
THR H 107
THR H  71
1.15A17.95
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.
3K2H_A_LYAA514_1
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		2fav REPLICASE
POLYPROTEIN 1AB
(PP1AB) (ORF1AB)
(SARSr-CoV)		5 / 12
ASP B 168
LEU B 138
ILE B  19
LEU B 127
LEU B 161
1.31A14.62
None
None
None
APR  B 477 (-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.
3K2H_B_LYAB514_2
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		2fe8 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		3 / 3
ARG B 229
THR B 198
THR A 275
1.18A19.84
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.
3K2H_A_LYAA514_1
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		2fe8 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		6 / 12
ALA C  69
LEU C  76
ARG B  83
THR B  43
SER B  86
LEU B  59
1.75A19.84
None
None
None
None
BR  B 319 (-3.6A)
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.
1JU6_D_LYAD315_1
(THYMIDYLATE SYNTHASE)		2fe8 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 11
PHE A  32
ASN A  14
ASP A  38
LEU A  37
GLY A  39
1.72A20.79
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JU6_A_LYAA317_1
(THYMIDYLATE SYNTHASE)		2fe8 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 11
PHE A  32
ASN A  14
ASP A  38
LEU A  37
GLY A  39
1.72A20.79
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K2H_B_LYAB514_1
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
ALA A  18
PHE A  16
SER A  33
LEU A  31
TYR A  76
1.55A14.48
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.
3K2H_B_LYAB514_1
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		2g9t ORF1A POLYPROTEIN
(SARSr-CoV)		5 / 12
ALA X  18
PHE X  16
SER X  33
LEU X  31
TYR X  76
1.53A15.20
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JU6_A_LYAA317_1
(THYMIDYLATE SYNTHASE)		2ghv SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 11
PHE E 379
LEU E 355
GLY E 326
PHE E 325
TYR E 356
1.53A20.75
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.
3K2H_A_LYAA513_1
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		2ghw SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
ALA A 350
SER A 380
GLU A 502
ASP A 385
TYR A 410
1.63A17.44
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K2H_A_LYAA513_1
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		2gib NUCLEOCAPSID PROTEIN
(SARSr-CoV)		5 / 12
ALA B 274
LEU B 354
ASP B 289
LEU B 292
GLY B 288
1.63A11.64
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.
1JU6_D_LYAD315_1
(THYMIDYLATE SYNTHASE)		2gib NUCLEOCAPSID PROTEIN
(SARSr-CoV)		5 / 11
PHE B 315
ILE B 321
ASN A 355
ASP A 289
GLY A 288
1.54A15.91
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K2H_A_LYAA514_1
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		2gtb 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
PHE A 230
LEU A 268
THR A 199
LEU A 272
LEU A 287
1.48A21.26
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K2H_B_LYAB514_2
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		2h85 PUTATIVE ORF1AB
POLYPROTEIN
(SARSr-CoV)		3 / 3
ARG A  61
THR A  48
THR A  98
1.27A21.61
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K2H_A_LYAA513_1
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		2jw8 NUCLEOCAPSID PROTEIN
(SARSr-CoV)		5 / 12
ALA A 274
LEU A 354
ASP A 289
LEU A 292
GLY A 288
1.39A13.26
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K2H_A_LYAA514_1
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		2jw8 NUCLEOCAPSID PROTEIN
(SARSr-CoV)		5 / 12
ASP B 342
PHE B 347
LEU B 340
LEU B 354
LEU A 332
1.47A13.26
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K2H_B_LYAB514_1
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		2jzd REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
ILE A 592
PHE A 581
ARG A 579
LEU A 603
SER A 598
1.28A13.70
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.
1JU6_D_LYAD315_1
(THYMIDYLATE SYNTHASE)		2kqv NSP3
(SARSr-CoV)		5 / 11
PHE A  59
ILE A  70
TYR A 122
MET A 102
ALA A  99
1.73A23.43
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K2H_B_LYAB514_2
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		2kqv NSP3
(SARSr-CoV)		3 / 3
ARG A 100
THR A  83
THR A  72
1.18A16.44
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JU6_A_LYAA317_1
(THYMIDYLATE SYNTHASE)		2kqv NSP3
(SARSr-CoV)		5 / 11
PHE A  59
ILE A  70
TYR A 122
MET A 102
ALA A  99
1.72A23.43
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2X9G_A_LYAA1270_2
(PTERIDINE REDUCTASE)		2kqv NSP3
(SARSr-CoV)		3 / 3
MET A  35
VAL A  82
GLU A  19
1.45A22.03
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.
1JU6_D_LYAD315_1
(THYMIDYLATE SYNTHASE)		2ofz NUCLEOCAPSID PROTEIN
(SARS-COV
Tor2)		5 / 11
ILE A 147
LEU A 114
GLY A 115
TYR A 124
ALA A 135
1.76A18.31
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.
1JU6_A_LYAA317_1
(THYMIDYLATE SYNTHASE)		2ofz NUCLEOCAPSID PROTEIN
(SARS-COV
Tor2)		5 / 11
ILE A 147
LEU A 114
GLY A 115
TYR A 124
ALA A 135
1.76A18.31
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.
1JU6_C_LYAC315_1
(THYMIDYLATE SYNTHASE)		2ofz NUCLEOCAPSID PROTEIN
(SARS-COV
Tor2)		5 / 10
ILE A 147
LEU A 114
GLY A 115
TYR A 124
ALA A 135
1.75A18.31
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.
3K2H_A_LYAA514_1
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		2op9 REPLICASE
POLYPROTEIN 1AB
(PP1AB, ORF1AB)
3C-LIKE PROTEINASE
(3CL-PRO, 3CLP)
(SARSr-CoV)		5 / 12
ALA A 206
LEU A 268
THR A 199
LEU A 272
LEU A 287
1.50A21.47
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.
2X9G_A_LYAA1270_2
(PTERIDINE REDUCTASE)		2op9 REPLICASE
POLYPROTEIN 1AB
(PP1AB, ORF1AB)
3C-LIKE PROTEINASE
(3CL-PRO, 3CLP)
(SARSr-CoV)		3 / 3
MET B   6
VAL B 157
GLU B  14
1.36A24.35
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.
3K2H_B_LYAB514_2
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		2ozk URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		3 / 3
ARG B  61
THR B  48
THR B  98
1.17A21.50
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.
1JU6_A_LYAA317_1
(THYMIDYLATE SYNTHASE)		2pwx 3C-LIKE PROTEINASE
(SARS-COV
BJ01)		5 / 11
PHE A 140
ILE A 136
ASN A 133
GLY A 174
ALA A 193
1.71A21.83
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.
1JU6_D_LYAD315_1
(THYMIDYLATE SYNTHASE)		2pwx 3C-LIKE PROTEINASE
(SARS-COV
BJ01)		5 / 11
PHE A 140
ILE A 136
ASN A 133
GLY A 174
ALA A 193
1.70A21.83
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.
4FQS_A_LYAA302_1
(THYMIDYLATE SYNTHASE)		2pwx 3C-LIKE PROTEINASE
(SARS-COV
BJ01)		5 / 12
HIS A 246
ILE A 249
LEU A 253
GLY A 251
VAL A 297
1.52A21.08
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.
4FQS_A_LYAA302_1
(THYMIDYLATE SYNTHASE)		2q6g REPLICASE
POLYPROTEIN 1AB
(SARS-COV
BJ01)		5 / 12
HIS B 246
ILE B 249
LEU B 253
GLY B 251
VAL B 297
1.63A21.21
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.
3K2H_A_LYAA514_1
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		2q6g REPLICASE
POLYPROTEIN 1AB
(SARS-COV
BJ01)		5 / 12
ALA A 206
LEU A 208
THR A 199
LEU A 272
LEU A 287
1.44A21.30
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.
2X9G_A_LYAA1270_2
(PTERIDINE REDUCTASE)		2q6g REPLICASE
POLYPROTEIN 1AB
(SARS-COV
BJ01)		3 / 3
MET A   6
VAL A 157
GLU A  14
1.31A24.15
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.
2X9G_A_LYAA1270_2
(PTERIDINE REDUCTASE)		2qc2 3C-LIKE PROTEINASE
(-)		3 / 3
MET A   6
VAL A 157
GLU A  14
1.33A24.15
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.
4FQS_A_LYAA302_1
(THYMIDYLATE SYNTHASE)		2qc2 3C-LIKE PROTEINASE
(-)		5 / 12
HIS B 246
ILE B 249
LEU B 253
GLY B 251
VAL B 297
1.55A19.30
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.
3K2H_A_LYAA514_1
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		2qc2 3C-LIKE PROTEINASE
(-)		5 / 12
ALA B 206
LEU B 208
THR B 199
LEU B 272
LEU B 287
1.49A21.26
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JU6_A_LYAA317_1
(THYMIDYLATE SYNTHASE)		2qcy 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 11
PHE A 140
ILE A 136
ASN A 133
GLY A 174
ALA A 193
1.78A20.63
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.
1JU6_D_LYAD315_1
(THYMIDYLATE SYNTHASE)		2qcy 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 11
PHE A 140
ILE A 136
ASN A 133
GLY A 174
ALA A 193
1.77A20.63
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.
2X9G_A_LYAA1270_2
(PTERIDINE REDUCTASE)		2qiq REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		3 / 3
MET A   6
VAL A 157
GLU A  14
1.36A24.35
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.
4FQS_A_LYAA302_1
(THYMIDYLATE SYNTHASE)		2rhb URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		5 / 12
HIS A 249
ILE A 306
ASP A 300
LEU A 299
PHE A 302
1.60A21.15
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.
3K2H_B_LYAB514_2
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		2rhb URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		3 / 3
ARG F  61
THR F  48
THR F  98
1.15A21.21
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2X9G_A_LYAA1270_2
(PTERIDINE REDUCTASE)		2rhb URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		3 / 3
MET C   0
VAL F  31
GLU F  56
1.21A22.53
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.
2X9G_A_LYAA1270_2
(PTERIDINE REDUCTASE)		2vj1 MAIN PROTEINASE
(SARSr-CoV)		3 / 3
MET A   6
VAL A 157
GLU A  14
1.32A24.16
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.
4FQS_A_LYAA302_1
(THYMIDYLATE SYNTHASE)		2xyq NSP10
PUTATIVE 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		5 / 12
ASP A 106
GLY B  69
PHE B  68
VAL A  78
ALA A  79
1.46A21.19
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.
1JU6_A_LYAA317_1
(THYMIDYLATE SYNTHASE)		2xyq PUTATIVE 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		5 / 11
ILE A 167
LEU A 206
PHE A 187
TYR A 228
ALA A 204
1.72A22.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JU6_C_LYAC315_1
(THYMIDYLATE SYNTHASE)		2xyq PUTATIVE 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		5 / 10
ILE A 167
LEU A 206
PHE A 187
TYR A 228
ALA A 204
1.71A22.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K2H_B_LYAB514_1
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		2xyq NSP10
(SARSr-CoV)		5 / 12
ALA B  18
PHE B  16
SER B  33
LEU B  31
TYR B  76
1.49A13.29
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.
1JU6_A_LYAA317_1
(THYMIDYLATE SYNTHASE)		2xyr PUTATIVE 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		5 / 11
ILE A 167
LEU A 183
GLY A 185
PHE A 187
ALA A 178
1.48A21.43
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FQS_A_LYAA302_1
(THYMIDYLATE SYNTHASE)		2xyr NSP10
PUTATIVE 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		5 / 12
ASP A 106
GLY B  69
PHE B  68
VAL A  78
ALA A  79
1.43A21.19
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.
1JU6_C_LYAC315_1
(THYMIDYLATE SYNTHASE)		2xyr PUTATIVE 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		5 / 10
ILE A 167
LEU A 183
GLY A 185
PHE A 187
ALA A 178
1.48A21.43
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K2H_B_LYAB514_1
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		2xyv NSP10
(SARSr-CoV)		5 / 12
ALA B  18
PHE B  16
SER B  33
LEU B  31
TYR B  76
1.48A13.29
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.
1JU6_A_LYAA317_1
(THYMIDYLATE SYNTHASE)		3bgf F26G19 FAB
(Mus
musculus)		5 / 11
PHE H  91
ILE H  37
TRP H  47
ASN H  60
ALA H  67
1.76A21.54
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JU6_D_LYAD315_1
(THYMIDYLATE SYNTHASE)		3bgf F26G19 FAB
(Mus
musculus)		5 / 11
PHE H  91
ILE H  37
TRP H  47
ASN H  60
ALA H  67
1.76A21.54
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K2H_B_LYAB514_2
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		3bgf SPIKE PROTEIN S1
(SARSr-CoV)		3 / 3
ARG S 395
THR S 487
THR A 468
1.10A17.66
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.
3K2H_B_LYAB514_2
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		3d0g ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		3 / 3
ARG A 518
THR A 567
THR A 229
1.12A20.58
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.
4KN2_C_LYAC304_2
(FOLATE RECEPTOR BETA)		3d0g ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		3 / 3
TYR B 196
GLN B 102
TRP B 203
1.53A16.72
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.
3K2H_A_LYAA513_1
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		3d0h ACE2
SPIKE GLYCOPROTEIN
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 12
TRP B  69
LEU B  39
LEU B 351
GLY B 352
TYR F 484
1.59A20.58
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.
1JU6_A_LYAA317_1
(THYMIDYLATE SYNTHASE)		3d0h ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 11
ILE A 379
ASP A 355
GLY A 326
PHE A 327
TYR A  41
1.74A19.30
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.
1JUJ_A_LYAA315_1
(THYMIDYLATE SYNTHASE)		3d0h ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 10
ILE A 379
ASP A 355
GLY A 326
PHE A 327
TYR A  41
1.79A19.30
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.
1JU6_C_LYAC315_1
(THYMIDYLATE SYNTHASE)		3d0h ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 10
ILE A 379
ASP A 355
GLY A 326
PHE A 327
TYR A  41
1.75A19.30
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.
4KN2_B_LYAB304_1
(FOLATE RECEPTOR BETA)		3d0h ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 12
TYR B 180
ARG B 460
ARG B 273
GLY B 272
SER B 507
1.75A16.72
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.
4FQS_A_LYAA302_1
(THYMIDYLATE SYNTHASE)		3d0h ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 12
GLU A  38
ASP A 355
LEU A 351
GLY A 352
VAL A  45
1.36A18.03
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.
3K2H_B_LYAB514_1
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		3d0h ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 12
ILE B 544
PHE B 314
SER B 420
LEU B 418
TYR B 587
1.53A20.58
None
None
NDG  B 618 (-2.9A)
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.
4FQS_A_LYAA302_1
(THYMIDYLATE SYNTHASE)		3d62 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
HIS A 246
ILE A 249
LEU A 253
GLY A 251
VAL A 297
1.53A22.61
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FQS_A_LYAA302_1
(THYMIDYLATE SYNTHASE)		3e91 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
HIS B 246
ILE B 249
LEU B 253
GLY B 251
VAL B 297
1.64A21.26
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2X9G_A_LYAA1270_2
(PTERIDINE REDUCTASE)		3ea7 3C-LIKE PROTEINASE
(SARSr-CoV)		3 / 3
MET A   6
VAL A 157
GLU A  14
1.39A23.14
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.
3K2H_A_LYAA513_1
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		3ea7 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
ALA A 284
GLU B 288
TRP B 207
LEU B 208
MET B 276
1.59A21.37
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.
3K2H_A_LYAA514_1
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		3ea7 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
ALA A 206
LEU A 208
THR A 199
LEU A 272
LEU A 287
1.44A21.37
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.
2X9G_A_LYAA1270_2
(PTERIDINE REDUCTASE)		3eaj 3C-LIKE PROTEINASE
(SARSr-CoV)		3 / 3
MET A   6
VAL A 157
GLU A  14
1.36A23.14
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.
4FQS_A_LYAA302_1
(THYMIDYLATE SYNTHASE)		3eaj 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
HIS A 246
ILE A 249
LEU A 253
GLY A 251
VAL A 297
1.57A21.26
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FQS_A_LYAA302_1
(THYMIDYLATE SYNTHASE)		3ebn REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
HIS C 246
ILE C 249
LEU C 253
GLY C 251
VAL C 297
1.46A21.76
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JU6_D_LYAD315_1
(THYMIDYLATE SYNTHASE)		3f9e 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 11
PHE A 140
ILE A 136
ASN A 133
GLY A 174
ALA A 193
1.76A21.53
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.
1JU6_A_LYAA317_1
(THYMIDYLATE SYNTHASE)		3f9e 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 11
PHE A 140
ILE A 136
ASN A 133
GLY A 174
ALA A 193
1.76A21.53
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.
4FQS_A_LYAA302_1
(THYMIDYLATE SYNTHASE)		3f9f 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
HIS B 246
ILE B 249
LEU B 253
GLY B 251
VAL B 297
1.61A21.36
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.
3K2H_A_LYAA513_1
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		3f9f 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
ALA A 140
SER A 139
TRP B 207
LEU B 208
GLY B 215
1.60A21.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2X9G_A_LYAA1270_2
(PTERIDINE REDUCTASE)		3f9g 3C-LIKE PROTEINASE
(SARSr-CoV)		3 / 3
MET A   6
VAL A 157
GLU A  14
1.28A24.35
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.
4FQS_A_LYAA302_1
(THYMIDYLATE SYNTHASE)		3f9g 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
HIS A 246
ILE A 249
LEU A 253
GLY A 251
VAL A 297
1.62A22.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2X9G_A_LYAA1270_2
(PTERIDINE REDUCTASE)		3f9h 3C-LIKE PROTEINASE
(SARSr-CoV)		3 / 3
MET B   6
VAL B 157
GLU B  14
1.30A24.15
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.
2X9G_A_LYAA1270_2
(PTERIDINE REDUCTASE)		3fzd 3C-LIKE PROTEINASE
(SARSr-CoV)		3 / 3
MET A   6
VAL A 157
GLU A  14
1.41A24.35
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.
4FQS_A_LYAA302_1
(THYMIDYLATE SYNTHASE)		3fzd 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
HIS A 246
ILE A 249
LEU A 253
GLY A 251
VAL A 297
1.61A22.73
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.
3K2H_B_LYAB514_2
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		3i6g HLA, A-2
(Homo
sapiens)		3 / 3
ARG A 202
THR A 271
THR A 225
1.20A19.61
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FQS_A_LYAA302_1
(THYMIDYLATE SYNTHASE)		3i6l HLA, A-24
(Homo
sapiens)		5 / 12
GLU D  63
TRP D  51
LEU D 168
GLY D 167
VAL D  28
1.38A20.98
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.
4FQS_A_LYAA302_1
(THYMIDYLATE SYNTHASE)		3iwm 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
HIS D 246
ILE D 249
LEU D 253
GLY D 251
VAL D 297
1.48A20.96
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.
2X9G_A_LYAA1270_2
(PTERIDINE REDUCTASE)		3m3s 3C-LIKE PROTEINASE
(SARSr-CoV)		3 / 3
MET A   6
VAL A 157
GLU A  14
1.32A24.15
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.
3K2H_A_LYAA514_1
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		3m3s 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
PHE A 230
LEU A 268
THR A 199
LEU A 272
LEU A 287
1.49A21.10
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.
1JU6_D_LYAD315_1
(THYMIDYLATE SYNTHASE)		3m3t 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 11
PHE A 140
ILE A 136
ASN A 133
GLY A 174
ALA A 193
1.62A21.43
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FQS_A_LYAA302_1
(THYMIDYLATE SYNTHASE)		3m3t 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
HIS A 246
ILE A 249
LEU A 253
GLY A 251
VAL A 297
1.61A21.69
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JU6_A_LYAA317_1
(THYMIDYLATE SYNTHASE)		3m3t 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 11
PHE A 140
ILE A 136
ASN A 133
GLY A 174
ALA A 193
1.63A21.43
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2X9G_A_LYAA1270_2
(PTERIDINE REDUCTASE)		3m3v 3C-LIKE PROTEINASE
(SARSr-CoV)		3 / 3
MET A   6
VAL A 157
GLU A  14
1.30A23.14
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.
3K2H_A_LYAA514_1
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		3m3v 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
ALA A 206
LEU A 208
THR A 199
LEU A 272
LEU A 287
1.49A21.54
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2X9G_A_LYAA1270_2
(PTERIDINE REDUCTASE)		3mj5 REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		3 / 3
MET B 244
VAL B 221
GLU A 162
1.34A19.82
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K2H_B_LYAB514_1
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		3r24 NSP10 AND NSP11
(SARSr-CoV)		5 / 12
ALA B  18
PHE B  16
SER B  33
LEU B  31
TYR B  76
1.54A16.00
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.
1JU6_C_LYAC315_1
(THYMIDYLATE SYNTHASE)		3r24 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		5 / 10
ILE A 167
LEU A 183
GLY A 185
PHE A 187
ALA A 178
1.51A21.70
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.
1JU6_A_LYAA317_1
(THYMIDYLATE SYNTHASE)		3r24 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		5 / 11
ILE A 167
LEU A 183
GLY A 185
PHE A 187
ALA A 178
1.51A21.70
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.
4FQS_A_LYAA302_1
(THYMIDYLATE SYNTHASE)		3r24 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		5 / 12
ILE A 167
LEU A 183
GLY A 185
PHE A 187
ALA A 178
1.46A20.29
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.
4KN2_C_LYAC304_2
(FOLATE RECEPTOR BETA)		3sci SPIKE GLYCOPROTEIN
(SARSr-CoV)		3 / 3
TYR F 408
GLN F 396
TRP F 340
1.44A19.33
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.
2X9G_A_LYAA1270_2
(PTERIDINE REDUCTASE)		3sci ACE2
(Homo
sapiens)		3 / 3
MET A  82
VAL A  93
GLU A  87
1.24A19.41
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.
4KN2_C_LYAC304_2
(FOLATE RECEPTOR BETA)		3scj SPIKE GLYCOPROTEIN
(SARSr-CoV)		3 / 3
TYR F 408
GLN F 396
TRP F 340
1.52A20.91
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K2H_B_LYAB514_2
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		3scj ACE2
(Homo
sapiens)		3 / 3
ARG A 518
THR A 567
THR A 229
1.11A20.16
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.
4KN2_C_LYAC304_2
(FOLATE RECEPTOR BETA)		3sck ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		3 / 3
TYR B 196
GLN B 102
TRP B 203
1.52A16.47
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.
3K2H_B_LYAB514_2
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		3scl ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		3 / 3
ARG A 518
THR A 567
THR A 229
1.07A20.48
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.
1JU6_A_LYAA317_1
(THYMIDYLATE SYNTHASE)		3scl ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 11
ILE A 379
ASP A 355
GLY A 326
PHE A 327
TYR A  41
1.76A19.30
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.
1JU6_C_LYAC315_1
(THYMIDYLATE SYNTHASE)		3scl ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 10
ILE A 379
ASP A 355
GLY A 326
PHE A 327
TYR A  41
1.77A19.30
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.
4FQS_A_LYAA302_1
(THYMIDYLATE SYNTHASE)		3scl ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 12
GLU A  38
ASP A 355
LEU A 351
GLY A 352
VAL A  45
1.40A17.85
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.
3K2H_A_LYAA513_1
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		3scl ACE2
SPIKE GLYCOPROTEIN
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 12
TRP B  69
LEU B  39
LEU B 351
GLY B 352
TYR F 484
1.55A20.48
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.
3K2H_B_LYAB514_1
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		3scl ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 12
ALA B 528
ARG B 559
LEU B 554
SER B 547
LEU B 320
1.34A20.48
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.
4FQS_A_LYAA302_1
(THYMIDYLATE SYNTHASE)		3sna 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
HIS A 246
ILE A 249
LEU A 253
GLY A 251
VAL A 297
1.63A21.67
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.
4FQS_A_LYAA302_1
(THYMIDYLATE SYNTHASE)		4hi3 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
HIS A 246
ILE A 249
LEU A 253
GLY A 251
VAL A 297
1.55A21.69
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2X9G_A_LYAA1270_2
(PTERIDINE REDUCTASE)		4hi3 3C-LIKE PROTEINASE
(SARSr-CoV)		3 / 3
MET B   6
VAL B 157
GLU B  14
1.37A24.10
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.
2X9G_A_LYAA1270_2
(PTERIDINE REDUCTASE)		4m0w REPLICASE
POLYPROTEIN 1A
UBIQUITIN
(Bos
taurus;
SARSr-CoV)		3 / 3
MET A 170
VAL B  70
GLU B  51
1.40A19.71
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.
3K2H_B_LYAB514_2
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		4m0w UBIQUITIN
(Bos
taurus)		3 / 3
ARG B  42
THR B  66
THR B   9
1.23A9.79
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JU6_A_LYAA317_1
(THYMIDYLATE SYNTHASE)		4m0w REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		5 / 11
PHE A  32
ASN A  14
ASP A  38
LEU A  37
GLY A  39
1.75A19.89
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.
1JU6_D_LYAD315_1
(THYMIDYLATE SYNTHASE)		4m0w REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		5 / 11
PHE A  32
ASN A  14
ASP A  38
LEU A  37
GLY A  39
1.75A19.89
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.
2X9G_A_LYAA1270_2
(PTERIDINE REDUCTASE)		4mds 3C-LIKE PROTEINASE
(SARSr-CoV)		3 / 3
MET A   6
VAL A 157
GLU A  14
1.37A24.29
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.
3K2H_A_LYAA513_1
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		4mm3 PAPAIN-LIKE
PROTEINASE
(SARSr-CoV)		5 / 12
ALA B 289
SER B 104
ILE B 105
LEU B 153
ASP B 109
1.59A19.65
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.
3K2H_A_LYAA514_1
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		4rna PAPAIN-LIKE PROTEASE
(Human
betacoronavirus
2c
EMC/2012)		5 / 12
ALA A 177
PHE A 137
LEU A 133
ILE A 117
SER A 145
1.40A20.55
None
None
None
None
PO4  A 402 (-4.7A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2X9G_A_LYAA1270_2
(PTERIDINE REDUCTASE)		4tww 3C-LIKE PROTEINASE
(SARSr-CoV)		3 / 3
MET A   6
VAL A 157
GLU A  14
1.45A24.15
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.
4FQS_A_LYAA302_1
(THYMIDYLATE SYNTHASE)		4tww 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
HIS B 246
ILE B 249
LEU B 253
GLY B 251
VAL B 297
1.53A20.96
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.
3K2H_A_LYAA514_1
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		4wy3 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
ALA A 206
LEU A 268
THR A 199
LEU A 272
LEU A 287
1.45A21.30
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.
3K2H_A_LYAA514_1
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		5b6o 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
ALA B 206
LEU B 208
THR B 199
LEU B 272
LEU B 287
1.50A20.08
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.
4FQS_A_LYAA302_1
(THYMIDYLATE SYNTHASE)		5b6o 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
HIS B 246
ILE B 249
LEU B 253
GLY B 251
VAL B 297
1.61A21.56
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.
2X9G_A_LYAA1270_2
(PTERIDINE REDUCTASE)		5c8s GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		3 / 3
MET B 276
VAL B  83
GLU B 284
1.42A20.19
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.
3K2H_B_LYAB514_2
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		5c8s GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		3 / 3
ARG D 135
THR D 131
THR D 103
1.00A21.88
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.
3K2H_B_LYAB514_2
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		5c8t GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		3 / 3
ARG B 135
THR B 131
THR B 103
1.07A21.78
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.
2X9G_A_LYAA1270_2
(PTERIDINE REDUCTASE)		5c8t GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		3 / 3
MET B 276
VAL B  83
GLU B 284
1.39A20.34
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.
4KN2_A_LYAA304_1
(FOLATE RECEPTOR BETA)		5c8u GUANINE-N7
METHYLTRANSFERASE
NSP10
(SARSr-CoV)		5 / 12
ASP A 106
SER B  28
ARG A  78
GLY A  94
TYR A  27
1.76A18.75
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.
2X9G_A_LYAA1270_1
(PTERIDINE REDUCTASE)		5c8u GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		5 / 12
ARG D 213
SER D 171
PHE D 198
PRO D 239
MET D  72
1.42A20.34
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.
4FQS_A_LYAA302_1
(THYMIDYLATE SYNTHASE)		5c8u GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		5 / 12
HIS D 188
ILE D 242
GLY D  88
VAL D 182
ALA D  85
1.59A18.16
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.
3K2H_A_LYAA513_1
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		5e6j REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
ALA D 289
SER D 104
ILE D 105
LEU D 153
ASP D 109
1.64A19.77
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K2H_A_LYAA514_1
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		5e6j POLYUBIQUITIN-B
REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV;
synthetic
construct)		6 / 12
ASP D  63
THR F  55
ILE F  61
SER F  65
LEU F  67
LEU F  50
1.66A19.77
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2X9G_A_LYAA1270_1
(PTERIDINE REDUCTASE)		5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)		5 / 12
ARG B 213
SER B 171
PHE B 198
PRO B 239
MET B  72
1.40A21.11
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.
1JU6_A_LYAA317_1
(THYMIDYLATE SYNTHASE)		5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)		5 / 11
ILE B 474
TRP B 520
ASN B 478
PHE B 445
ALA B 488
1.64A19.29
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.
3K2H_B_LYAB514_2
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)		3 / 3
ARG C 135
THR C 131
THR C 103
0.99A21.58
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.
1JU6_C_LYAC315_1
(THYMIDYLATE SYNTHASE)		5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)		5 / 10
ILE B 474
TRP B 520
ASN B 478
PHE B 445
ALA B 488
1.64A19.29
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.
3K2H_A_LYAA514_1
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)		5 / 12
ALA M  71
ARG A  52
THR M   5
ILE A  55
LEU A  18
1.34A13.88
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.
4FQS_A_LYAA302_1
(THYMIDYLATE SYNTHASE)		5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)		5 / 12
HIS B 188
ILE B 242
GLY B  88
VAL B 182
ALA B  85
1.46A17.07
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.
3K2H_A_LYAA513_1
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		5tl6 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
ALA D 289
SER D 104
ILE D 105
LEU D 153
ASP D 109
1.62A19.84
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.
3K2H_B_LYAB514_2
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		5tl6 REPLICASE
POLYPROTEIN 1AB
UBIQUITIN-LIKE
PROTEIN ISG15
(Homo
sapiens;
SARSr-CoV)		3 / 3
ARG C 155
THR C 125
THR D 302
1.13A10.62
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K2H_B_LYAB514_2
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		5tl6 REPLICASE
POLYPROTEIN 1AB
UBIQUITIN-LIKE
PROTEIN ISG15
(Homo
sapiens;
SARSr-CoV)		3 / 3
ARG B 229
THR B 198
THR A 147
1.02A19.84
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.
3K2H_A_LYAA514_1
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		5tl7 REPLICASE
POLYPROTEIN 1AB
UBIQUITIN-LIKE
PROTEIN ISG15
(Mus
musculus;
SARSr-CoV)		5 / 12
ALA D 247
ARG C  85
SER C 123
LEU C 150
TYR D 269
1.47A19.84
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.
1JUJ_A_LYAA315_1
(THYMIDYLATE SYNTHASE)		5x58 SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		5 / 10
ASP C1023
LEU A1016
GLY A 871
PHE A 870
MET A1011
1.75A13.48
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.
3K2H_A_LYAA513_1
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		5x58 SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		5 / 12
ALA C 754
ILE B 299
LEU B 636
LEU C 846
GLY B 653
1.55A17.51
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FQS_A_LYAA302_1
(THYMIDYLATE SYNTHASE)		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		5 / 12
GLU B 593
LEU B 597
GLY B 638
TYR B 598
VAL B 583
1.15A12.19
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.
1JU6_C_LYAC315_1
(THYMIDYLATE SYNTHASE)		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		5 / 10
ASP B 600
GLY B 579
PHE B 578
TYR B 598
ALA B 633
1.51A13.48
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.
1JU6_D_LYAD315_1
(THYMIDYLATE SYNTHASE)		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		5 / 11
PHE C 137
TRP C 245
ASN C  73
LEU C 235
ALA C 250
1.72A13.48
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.
1JU6_A_LYAA317_1
(THYMIDYLATE SYNTHASE)		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		5 / 11
ASP B 600
GLY B 579
PHE B 578
TYR B 598
ALA B 633
1.51A13.48
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.
3K2H_B_LYAB514_1
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		5 / 12
ILE A1000
ASP A 932
ARG B 747
ILE A 995
LEU B 994
1.34A17.51
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K2H_B_LYAB514_2
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		3 / 3
ARG B  38
THR B  55
THR B 271
1.03A17.51
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K2H_A_LYAA514_1
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		5x5c S PROTEIN
(MERS-CoV)		5 / 12
ALA C 432
ILE C 480
LEU C 415
LEU C 411
TYR C 438
1.29A16.47
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.
3K2H_B_LYAB514_1
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		5x5f S PROTEIN
(MERS-CoV)		5 / 12
ILE A 480
ARG A 401
LEU A 443
ILE A 433
LEU A 441
1.50A16.47
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.
2X9G_A_LYAA1270_2
(PTERIDINE REDUCTASE)		5x5f S PROTEIN
(MERS-CoV)		3 / 3
MET C1008
VAL C 898
GLU C1017
1.50A10.95
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.
3K2H_A_LYAA513_1
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		5x5f S PROTEIN
(MERS-CoV)		5 / 12
ALA C 962
ILE B1165
LEU B1155
GLY B1170
TYR B 777
1.54A16.47
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.
1JU6_D_LYAD315_1
(THYMIDYLATE SYNTHASE)		5xlr SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 11
PHE B1057
ILE B 696
ASN B1090
LEU A 876
ALA A 872
1.59A13.10
PHE  B1057 ( 1.3A)
ILE  B 696 ( 0.7A)
ASN  B1090 ( 0.6A)
LEU  A 876 ( 0.6A)
ALA  A 872 ( 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.
3K2H_B_LYAB514_2
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		5xlr SPIKE GLYCOPROTEIN
(SARSr-CoV)		3 / 3
ARG C 982
THR A 988
THR B 980
1.23A17.82
ARG  C 982 ( 0.6A)
THR  A 988 ( 0.8A)
THR  B 980 ( 0.8A)
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.
4FQS_A_LYAA302_1
(THYMIDYLATE SYNTHASE)		5xlr SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
GLU B 502
LEU A 194
GLY A 225
PHE A 193
VAL A 196
1.61A12.62
GLU  B 502 ( 0.6A)
LEU  A 194 ( 0.6A)
GLY  A 225 ( 0.0A)
PHE  A 193 ( 1.3A)
VAL  A 196 ( 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.
3K2H_B_LYAB514_1
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		5xlr SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
ALA C 127
ILE C 125
ARG C 232
ILE C 117
LEU C 235
1.30A17.82
ALA  C 127 ( 0.0A)
ILE  C 125 ( 0.7A)
ARG  C 232 ( 0.6A)
ILE  C 117 ( 0.7A)
LEU  C 235 ( 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.
2X9G_A_LYAA1270_1
(PTERIDINE REDUCTASE)		5xlr SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
ARG A 982
SER B 556
PHE A 837
PRO B 575
LEU A 959
1.68A13.42
ARG  A 982 ( 0.6A)
SER  B 556 ( 0.0A)
PHE  A 837 ( 1.3A)
PRO  B 575 ( 1.1A)
LEU  A 959 ( 0.6A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JU6_A_LYAA317_1
(THYMIDYLATE SYNTHASE)		5xlr SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 11
PHE B1057
ILE B 696
ASN B1090
LEU A 876
ALA A 872
1.59A13.10
PHE  B1057 ( 1.3A)
ILE  B 696 ( 0.7A)
ASN  B1090 ( 0.6A)
LEU  A 876 ( 0.6A)
ALA  A 872 ( 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.
1JU6_D_LYAD315_1
(THYMIDYLATE SYNTHASE)		6acd SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 11
ILE B 637
ASN B 626
LEU B 597
GLY B 634
ALA B 676
1.62A13.63
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.
3K2H_B_LYAB514_1
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		6acg SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
ALA C 872
ASP A1023
SER A 701
ILE A 702
LEU A1031
1.46A17.98
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.
1JU6_C_LYAC315_1
(THYMIDYLATE SYNTHASE)		6acg ACE2
(Homo
sapiens)		5 / 10
ILE D 379
ASP D 355
GLY D 326
PHE D 327
TYR D  41
1.58A19.07
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.
1JUJ_A_LYAA315_1
(THYMIDYLATE SYNTHASE)		6acg ACE2
(Homo
sapiens)		5 / 10
ILE D 379
ASP D 355
GLY D 326
PHE D 327
TYR D  41
1.65A19.07
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.
3K2H_B_LYAB514_1
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		6acg ACE2
(Homo
sapiens)		5 / 12
ALA D 528
ARG D 559
LEU D 554
SER D 547
LEU D 320
1.35A20.16
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.
4FQS_A_LYAA302_1
(THYMIDYLATE SYNTHASE)		6acg ACE2
(Homo
sapiens)		5 / 12
ILE D 379
ASP D 355
GLY D 326
PHE D 327
TYR D  41
1.60A17.72
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.
2X9G_A_LYAA1270_1
(PTERIDINE REDUCTASE)		6acg ACE2
(Homo
sapiens)		5 / 12
ASP D 509
PHE D 464
TYR D 183
LEU D 503
PRO D 500
1.75A19.41
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.
1JU6_A_LYAA317_1
(THYMIDYLATE SYNTHASE)		6acj ACE2
(Homo
sapiens)		5 / 11
ILE D 379
ASP D 355
GLY D 326
PHE D 327
TYR D  41
1.67A19.07
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.
1JU6_A_LYAA317_1
(THYMIDYLATE SYNTHASE)		6acj SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 11
ILE C 694
ASN C 691
GLY B 867
MET B 882
ALA B 881
1.35A13.63
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.
1JU6_C_LYAC315_1
(THYMIDYLATE SYNTHASE)		6acj SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 10
ILE C 694
ASN C 691
GLY B 867
MET B 882
ALA B 881
1.35A13.63
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.
3K2H_A_LYAA514_1
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		6acj SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
ALA B 384
PHE B 325
SER B 353
LEU B 355
LEU B 421
1.47A17.98
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.
4FQS_A_LYAA302_1
(THYMIDYLATE SYNTHASE)		6ack SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
HIS B 149
ILE B 152
GLY B 100
PHE B 138
VAL B 102
1.58A12.62
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JUJ_A_LYAA315_1
(THYMIDYLATE SYNTHASE)		6ack SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 10
LYS A 715
ILE B 652
LEU A 846
GLY B 655
TYR A 855
1.74A13.63
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.
3K2H_B_LYAB514_2
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		6ack SPIKE GLYCOPROTEIN
(SARSr-CoV)		3 / 3
ARG C 544
THR B  51
THR B 215
1.12A17.98
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.
1JU6_B_LYAB315_1
(THYMIDYLATE SYNTHASE)		6ack SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 9
LYS A 715
ILE B 652
LEU A 846
GLY B 655
TYR A 855
1.77A13.63
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.
3K2H_A_LYAA513_1
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		6ack SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
ALA A 714
ILE A1000
LEU A1006
LEU A 930
GLY A1041
1.64A17.98
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.
3K2H_A_LYAA513_1
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		6ack ACE2
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARSr-CoV)		5 / 12
TRP D  69
LEU D  39
LEU D 351
GLY D 352
TYR C 484
1.39A20.16
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.
3K2H_B_LYAB514_1
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		6crv SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
ASP B 154
PHE B 153
ILE B 115
SER B 113
ARG B 232
1.38A17.35
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.
1JU6_C_LYAC315_1
(THYMIDYLATE SYNTHASE)		6crv SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 10
ASP C1023
GLY A 871
PHE A 870
MET A1011
ALA A1008
1.77A13.62
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2X9G_A_LYAA1270_2
(PTERIDINE REDUCTASE)		6crv SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		3 / 3
MET B 882
VAL B 893
GLU B 900
1.50A13.10
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.
1JUJ_A_LYAA315_1
(THYMIDYLATE SYNTHASE)		6crv SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 10
ASP B1023
LEU C1016
GLY C 871
PHE C 870
MET C1011
1.80A13.62
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JU6_A_LYAA317_1
(THYMIDYLATE SYNTHASE)		6crv SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 11
ASP C1023
GLY A 871
PHE A 870
MET A1011
ALA A1008
1.78A13.62
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KN2_C_LYAC304_2
(FOLATE RECEPTOR BETA)		6crv SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		3 / 3
TYR B1049
GLN B1088
TRP C 868
1.53A10.28
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.
3K2H_B_LYAB514_2
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		6crv SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		3 / 3
ARG C 544
THR A 215
THR A  51
1.18A17.35
NAG  A1302 (-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.
3K2H_A_LYAA514_1
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		6crv SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
ASP A 154
PHE A 153
ILE A 115
SER A 113
ARG A 232
1.45A17.35
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.
1JU6_C_LYAC315_1
(THYMIDYLATE SYNTHASE)		6crw SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 10
ILE A 702
LEU A 898
PHE A 700
MET A 884
ALA A 881
1.75A13.62
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K2H_B_LYAB514_2
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		6crw SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		3 / 3
ARG A 563
THR A 533
THR A 509
1.04A17.61
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K2H_B_LYAB514_1
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		6crw SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
ALA A 384
ILE A 345
PHE A 325
LEU A 355
LEU A 374
1.49A17.61
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FQS_A_LYAA302_1
(THYMIDYLATE SYNTHASE)		6crw SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
HIS A  74
ILE A  72
LEU A 235
GLY A  77
VAL A  97
1.54A12.41
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.
1JU6_A_LYAA317_1
(THYMIDYLATE SYNTHASE)		6crz SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 11
PHE A  89
ASN A 230
ASP A  85
GLY A  86
PHE A 187
1.32A13.62
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K2H_A_LYAA514_1
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		6crz SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
LEU B 927
ILE B 916
SER B 919
LEU B 920
LEU B 804
1.49A17.61
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K2H_A_LYAA513_1
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		6cs1 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
ALA C 754
ILE B 299
LEU B 636
LEU C 846
GLY B 653
1.54A17.61
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2X9G_A_LYAA1270_2
(PTERIDINE REDUCTASE)		6cs1 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		3 / 3
MET A 709
VAL A 808
GLU A 801
1.42A13.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K2H_A_LYAA513_1
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		6cs2 ACE2
SPIKE
GLYCOPROTEIN,FIBRITI
N
(Homo
sapiens;
SARSr-CoV)		5 / 12
TRP D  69
LEU D  39
LEU D 351
GLY D 352
TYR B 484
1.40A20.48
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.
3K2H_B_LYAB514_1
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		6cs2 ACE2
(Homo
sapiens)		5 / 12
ALA D 372
ILE D 307
LEU D 370
ILE D 421
LEU D 418
1.42A20.48
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.
3K2H_A_LYAA514_1
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		6iex MHC CLASS I ANTIGEN
(Homo
sapiens;
SARSr-CoV)		5 / 12
LEU C   8
ILE A 124
SER A 143
LEU A 147
LEU A 156
1.27A3.56
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.
3K2H_A_LYAA513_1
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		6jyt HELICASE
(SARSr-CoV)		5 / 12
ALA B 520
SER B 523
LEU B 158
ASP B 207
GLY B 206
1.45A22.56
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.
4KN2_C_LYAC304_2
(FOLATE RECEPTOR BETA)		6m0j ACE2
(Homo
sapiens)		3 / 3
TYR A 196
GLN A 102
TRP A 203
1.50A16.97
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.
3K2H_B_LYAB514_2
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		6m17 ACE2
(Homo
sapiens)		3 / 3
ARG D 518
THR D 567
THR D 229
1.17A20.73
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.
1JU6_D_LYAD315_1
(THYMIDYLATE SYNTHASE)		6m17 SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		5 / 11
PHE C 546
ILE C 492
ASP C 270
LEU C 269
GLY C 272
1.65A20.18
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2X9G_A_LYAA1270_2
(PTERIDINE REDUCTASE)		6m17 ACE2
(Homo
sapiens)		3 / 3
MET D  82
VAL D  93
GLU D  23
1.46A16.97
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.
3K2H_A_LYAA513_1
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		6m17 SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		5 / 12
SER C 186
ILE C 187
LEU C 485
LEU C 475
GLY C 478
1.38A20.47
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.
3K2H_B_LYAB514_1
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		6m17 ACE2
(Homo
sapiens)		5 / 12
ALA D 528
ARG D 559
LEU D 554
SER D 547
LEU D 320
1.44A20.73
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.
1JU6_A_LYAA317_1
(THYMIDYLATE SYNTHASE)		6m17 SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		5 / 11
PHE C 546
ILE C 492
ASP C 270
LEU C 269
GLY C 272
1.65A20.18
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K2H_B_LYAB514_1
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		6m18 SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		5 / 12
ALA C 498
LEU C  88
SER C 100
ILE C 287
SER C 290
1.41A20.47
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.
4KN2_C_LYAC304_2
(FOLATE RECEPTOR BETA)		6m18 ACE2
(Homo
sapiens)		3 / 3
TYR D 196
GLN D 102
TRP D 203
1.65A13.25
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.
4KN2_A_LYAA304_1
(FOLATE RECEPTOR BETA)		6m18 SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		5 / 12
THR C 559
SER C  64
GLY C 397
SER C 487
TYR C 488
1.73A14.42
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K2H_A_LYAA513_1
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		6m1d ACE2
(Homo
sapiens)		5 / 12
ILE D 379
ASP D 355
GLY D 326
PHE D 327
TYR D  41
1.55A20.73
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.
1JUJ_A_LYAA315_1
(THYMIDYLATE SYNTHASE)		6m1d ACE2
(Homo
sapiens)		5 / 10
ILE D 379
ASP D 355
GLY D 326
PHE D 327
TYR D  41
1.55A16.30
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.
1JU6_D_LYAD315_1
(THYMIDYLATE SYNTHASE)		6m1d ACE2
(Homo
sapiens)		5 / 11
PHE B 327
ILE B 379
ASN B 394
LEU B 351
GLY B 352
1.54A16.30
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.
1JU6_A_LYAA317_1
(THYMIDYLATE SYNTHASE)		6m1d ACE2
(Homo
sapiens)		5 / 11
ILE D 379
ASP D 355
GLY D 326
PHE D 327
TYR D  41
1.46A16.30
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.
1JU6_C_LYAC315_1
(THYMIDYLATE SYNTHASE)		6m1d ACE2
(Homo
sapiens)		5 / 10
ILE D 379
ASP D 355
GLY D 326
PHE D 327
TYR D  41
1.47A16.30
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.
1JU6_A_LYAA317_1
(THYMIDYLATE SYNTHASE)		6nb7 SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 11
LEU A1016
GLY A 871
PHE A 870
MET A1011
ALA A1008
1.63A13.35
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.
1JU6_C_LYAC315_1
(THYMIDYLATE SYNTHASE)		6nb7 SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 10
LEU A1016
GLY A 871
PHE A 870
MET A1011
ALA A1008
1.63A13.35
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.
1JU6_C_LYAC315_1
(THYMIDYLATE SYNTHASE)		6nus NSP12
(SARSr-CoV)		5 / 10
ILE A 299
ASN A 356
LEU A 351
GLY A 352
ALA A 660
1.13A16.04
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FQS_A_LYAA302_1
(THYMIDYLATE SYNTHASE)		6nus NSP12
(SARSr-CoV)		5 / 12
HIS A 295
ILE A 299
LEU A 351
GLY A 352
ALA A 660
1.56A13.66
 ZN  A1001 (-3.6A)
None
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JU6_D_LYAD315_1
(THYMIDYLATE SYNTHASE)		6nus NSP12
(SARSr-CoV)		5 / 11
ILE A 299
ASN A 356
LEU A 351
GLY A 352
ALA A 660
1.13A16.04
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JU6_A_LYAA317_1
(THYMIDYLATE SYNTHASE)		6nus NSP12
(SARSr-CoV)		5 / 11
ILE A 299
ASN A 356
LEU A 351
GLY A 352
ALA A 660
1.13A16.04
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K2H_A_LYAA513_1
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		6nus NSP12
(SARSr-CoV)		5 / 12
ALA A 375
LEU A 498
GLY A 503
PHE A 506
MET A 566
1.60A20.10
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.
3K2H_B_LYAB514_1
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		6nus NSP12
(SARSr-CoV)		5 / 12
ILE A 466
PHE A 313
LEU A 316
SER A 239
LEU A 186
1.27A20.10
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.
2X9G_A_LYAA1270_2
(PTERIDINE REDUCTASE)		6vw1 ACE2
(Homo
sapiens)		3 / 3
MET B  82
VAL B  93
GLU B  87
1.13A20.96
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.
3K2H_B_LYAB514_2
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		6vw1 ACE2
(Homo
sapiens)		3 / 3
ARG A 518
THR A 567
THR A 229
1.15A20.42
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FQS_A_LYAA302_1
(THYMIDYLATE SYNTHASE)		6vw1 ACE2
(Homo
sapiens)		5 / 12
HIS B 540
GLU B 589
LEU B 584
TYR B 516
VAL B 447
1.59A17.89
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.
3K2H_B_LYAB514_1
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		6yla HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		5 / 12
ALA L  90
LEU L  84
SER L 174
LEU L  15
TYR B  27
1.66A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K2H_B_LYAB514_1
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		6yla LIGHT CHAIN
(Homo
sapiens)		5 / 12
LEU C  39
SER C  99
ILE C   2
SER C  26
LEU C   4
1.79A
None
DMS  C 303 (-4.1A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KN2_C_LYAC304_2
(FOLATE RECEPTOR BETA)		6ym0 HEAVY CHAIN
(Homo
sapiens)		3 / 3
TYR H  32
GLN H   1
TRP H 109
1.63A19.75
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.
2X9G_A_LYAA1270_2
(PTERIDINE REDUCTASE)		6yor IGG H CHAIN
(Homo
sapiens)		3 / 3
MET H  40
VAL H  11
GLU H 152
1.78A22.26
None