Ligand ID: DXT


Drugbank ID:
DB00254
(Doxycycline)


Indication:
Doxycycline is indicated for use in respiratory tract infections caused by Mycoplasma pneumoniae, Haemophilus influenzae, Streptococcus pneumoniae, Legionella spp., or Klebsiella spp. It is also used for prophylaxis of malaria. Doxycycline is indicated for a variety of bacterial infections, from Mycobacterium fortuitum and M. marinum, to susceptible E. coli and Brucella spp. It can be used as an alternative to treating plague, tetanus, Campylobacter fetus

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

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'DXT' 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.
5OM3_B_DXTB501_1
(ALPHA-1-ANTICHYMOTRY
PSIN)		1xak ORF7A ACCESSORY
PROTEIN
(SARSr-CoV)		4 / 6
LEU A  41
SER A  29
PHE A  48
HIS A  47
1.44A16.79
18.75
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.
2XRL_A_DXTA1211_1
(TETRACYCLINE
REPRESSOR PROTEIN
CLASS D)		1zv8 E2 GLYCOPROTEIN
(SARSr-CoV)		5 / 12
THR G  43
GLN G  47
LEU G  48
ILE H   2
SER I  49
1.61A11.56
None
ACT  H 202 ( 4.2A)
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.
2O7O_A_DXTA222_1
(TETRACYCLINE
REPRESSOR PROTEIN
CLASS D)		1zv8 E2 GLYCOPROTEIN
(SARSr-CoV)		5 / 12
ASN F  27
THR A  21
GLN A  17
ILE A  13
SER F  29
1.78A10.63
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.
5OM3_B_DXTB501_1
(ALPHA-1-ANTICHYMOTRY
PSIN)		2acf REPLICASE
POLYPROTEIN 1AB
(SARS-COV
Tor2)		4 / 6
LEU C 265
SER C 247
ASP C 248
HIS C 224
1.43A19.58
12.71
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.
5OM2_B_DXTB501_1
(ALPHA-1-ANTICHYMOTRY
PSIN)		2acf REPLICASE
POLYPROTEIN 1AB
(SARS-COV
Tor2)		5 / 9
VAL A 337
LEU A 308
ALA A 311
VAL A 346
ILE A 200
1.45A20.11
14.29
GOL  A1010 (-3.8A)
None
GOL  A1010 ( 4.2A)
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.
5OM2_B_DXTB501_1
(ALPHA-1-ANTICHYMOTRY
PSIN)		2dd8 SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 9
LEU S 412
PHE S 416
ASP S 415
VAL S 420
ILE S 397
1.52A19.78
12.15
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.
5OM2_B_DXTB501_1
(ALPHA-1-ANTICHYMOTRY
PSIN)		2fav REPLICASE
POLYPROTEIN 1AB
(PP1AB) (ORF1AB)
(SARSr-CoV)		5 / 9
VAL B 156
LEU B 127
ALA B 130
VAL B 165
ILE B  19
1.34A19.84
14.29
APR  B 477 ( 4.9A)
APR  B 477 (-4.7A)
APR  B 477 (-3.5A)
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.
5OM3_B_DXTB501_1
(ALPHA-1-ANTICHYMOTRY
PSIN)		2fav REPLICASE
POLYPROTEIN 1AB
(PP1AB) (ORF1AB)
(SARSr-CoV)		4 / 6
LEU B  84
SER B  66
ASP B  67
HIS B  43
1.40A19.79
11.76
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.
5OM2_B_DXTB501_1
(ALPHA-1-ANTICHYMOTRY
PSIN)		2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		6 / 9
VAL A 108
LEU A  75
ALA A  24
ASP A  22
VAL A  13
ILE A  38
1.53A16.89
11.48
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.
5OM2_B_DXTB501_1
(ALPHA-1-ANTICHYMOTRY
PSIN)		2ga6 ORF1A POLYPROTEIN
(SARSr-CoV)		6 / 9
VAL B 108
LEU B  75
ALA B  24
ASP B  22
VAL B  13
ILE B  38
1.37A17.62
14.95
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.
5OM2_B_DXTB501_1
(ALPHA-1-ANTICHYMOTRY
PSIN)		2ghv SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 9
LEU E 412
PHE E 416
ASP E 415
VAL E 420
ILE E 397
1.51A19.41
12.15
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.
2O7O_A_DXTA222_1
(TETRACYCLINE
REPRESSOR PROTEIN
CLASS D)		2h85 PUTATIVE ORF1AB
POLYPROTEIN
(SARSr-CoV)		5 / 12
SER A 273
ASN A  74
PRO A 343
VAL A 275
ILE A 322
1.79A22.22
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XRL_A_DXTA1211_1
(TETRACYCLINE
REPRESSOR PROTEIN
CLASS D)		2h85 PUTATIVE ORF1AB
POLYPROTEIN
(SARSr-CoV)		5 / 12
SER A 273
ASN A  74
PRO A 343
LEU A 297
ILE A 322
1.35A21.91
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.
5OM2_B_DXTB501_1
(ALPHA-1-ANTICHYMOTRY
PSIN)		2q6g REPLICASE
POLYPROTEIN 1AB
(SARS-COV
BJ01)		5 / 9
VAL B 171
LEU B 167
ALA B 193
PHE B 185
HIS B 134
1.55A21.70
7.82
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.
2O7O_A_DXTA222_1
(TETRACYCLINE
REPRESSOR PROTEIN
CLASS D)		2rhb URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		5 / 12
SER C 273
ASN C  74
PRO C 343
VAL C 275
ILE C 322
1.59A21.13
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XRL_A_DXTA1211_1
(TETRACYCLINE
REPRESSOR PROTEIN
CLASS D)		2rhb URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		5 / 12
SER C 273
ASN C  74
PRO C 343
LEU C 297
ILE C 322
1.32A20.85
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.
5OM2_B_DXTB501_1
(ALPHA-1-ANTICHYMOTRY
PSIN)		2xyq NSP10
(SARSr)		5 / 9
VAL B 108
LEU B  75
ALA B  24
VAL B  13
ILE B  38
1.39A16.00
12.82
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.
2O7O_A_DXTA222_1
(TETRACYCLINE
REPRESSOR PROTEIN
CLASS D)		2xyr PUTATIVE 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		5 / 12
ASN A 196
PHE A 193
PRO A  12
GLN A   3
ILE A 237
1.77A21.89
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.
5OM2_B_DXTB501_1
(ALPHA-1-ANTICHYMOTRY
PSIN)		2xyr NSP10
(SARSr-CoV)		6 / 9
VAL B 108
LEU B  75
ALA B  24
ASP B  22
VAL B  13
ILE B  38
1.39A16.00
12.82
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.
5OM2_B_DXTB501_1
(ALPHA-1-ANTICHYMOTRY
PSIN)		2xyv NSP10
(SARSr-CoV)		6 / 9
VAL B 108
LEU B  75
ALA B  24
ASP B  22
VAL B  13
ILE B  38
1.42A14.00
9.84
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.
5OM2_B_DXTB501_1
(ALPHA-1-ANTICHYMOTRY
PSIN)		3bgf SPIKE PROTEIN S1
(SARSr-CoV)		5 / 9
LEU S 412
PHE S 416
ASP S 415
VAL S 420
ILE S 397
1.48A20.23
12.15
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.
2XRL_A_DXTA1211_1
(TETRACYCLINE
REPRESSOR PROTEIN
CLASS D)		3d0i ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 12
ASN B  33
THR B  92
VAL B  93
GLN B  96
LEU B  97
0.88A15.99
None
NDG  B 616 ( 4.6A)
NDG  B 616 ( 4.8A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5OM3_B_DXTB501_1
(ALPHA-1-ANTICHYMOTRY
PSIN)		3ee7 REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		4 / 6
LEU B  29
SER B  13
ASP B  26
HIS B 118
1.66A14.48
18.18
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.
2O7O_A_DXTA222_1
(TETRACYCLINE
REPRESSOR PROTEIN
CLASS D)		3f9h 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
ASN B 119
HIS B  41
THR B  21
VAL B  20
SER B 144
1.69A20.37
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.
2O7O_A_DXTA222_1
(TETRACYCLINE
REPRESSOR PROTEIN
CLASS D)		3i6k BETA-2-MICROGLOBULIN
HLA, A-2
(Homo
sapiens)		5 / 12
PHE B  62
ARG A  17
THR B  86
VAL B  85
ILE B  35
1.75A19.34
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.
5OM3_B_DXTB501_1
(ALPHA-1-ANTICHYMOTRY
PSIN)		3r24 2'-O-METHYL
TRANSFERASE
NSP10 AND NSP11
(SARSr-CoV)		4 / 6
LEU A 111
SER A  98
ASP A  97
HIS B  80
1.77A22.92
8.58
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.
5OM2_B_DXTB501_1
(ALPHA-1-ANTICHYMOTRY
PSIN)		3r24 NSP10 AND NSP11
(SARSr-CoV)		6 / 9
VAL B 108
LEU B  75
ALA B  24
ASP B  22
VAL B  13
ILE B  38
1.43A19.09
13.08
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.
2O7O_A_DXTA222_1
(TETRACYCLINE
REPRESSOR PROTEIN
CLASS D)		3sci ACE2
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARSr-CoV)		5 / 12
PHE E 460
HIS E 445
THR A  20
GLN A  24
SER E 461
1.65A21.12
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XRL_A_DXTA1211_1
(TETRACYCLINE
REPRESSOR PROTEIN
CLASS D)		3sci ACE2
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARSr-CoV)		5 / 12
PHE E 460
HIS E 445
THR A  20
GLN A  24
SER E 461
1.63A21.12
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2O7O_A_DXTA222_1
(TETRACYCLINE
REPRESSOR PROTEIN
CLASS D)		3scj ACE2
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARSr-CoV)		5 / 12
PHE F 460
HIS F 445
THR B  20
GLN B  24
SER F 461
1.75A20.83
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.
2XRL_A_DXTA1211_1
(TETRACYCLINE
REPRESSOR PROTEIN
CLASS D)		3scl ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 12
ASN A  33
THR A  92
VAL A  93
GLN A  96
LEU A  97
1.05A16.33
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.
5OM2_B_DXTB501_1
(ALPHA-1-ANTICHYMOTRY
PSIN)		3vb5 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 9
VAL B 171
LEU B 167
ALA B 193
PHE B 185
HIS B 134
1.55A21.70
7.82
None
None
None
None
EDO  B 402 (-3.6A)
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.
5OM2_B_DXTB501_1
(ALPHA-1-ANTICHYMOTRY
PSIN)		4hi3 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 9
VAL B 171
LEU B 167
ALA B 193
PHE B 185
HIS B 134
1.55A21.99
7.47
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.
2O7O_A_DXTA222_1
(TETRACYCLINE
REPRESSOR PROTEIN
CLASS D)		4rna PAPAIN-LIKE PROTEASE
(Human
betacoronavirus
2c
EMC/2012)		5 / 12
SER A 247
PHE A 312
THR A 308
VAL A 307
GLN A 213
1.65A18.89
None
None
None
PO4  A 404 (-4.5A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5OM2_B_DXTB501_1
(ALPHA-1-ANTICHYMOTRY
PSIN)		4rna PAPAIN-LIKE PROTEASE
(Human
betacoronavirus
2c
EMC/2012)		5 / 9
LEU A 284
ALA A 265
PHE A 263
VAL A 255
ILE A 289
1.32A24.04
9.12
None
None
PO4  A 404 (-3.7A)
PO4  A 404 (-3.9A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5OM2_B_DXTB501_1
(ALPHA-1-ANTICHYMOTRY
PSIN)		4tww 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 9
VAL A 171
LEU A 167
ALA A 193
PHE A 185
HIS A 134
1.53A21.70
7.82
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.
5OM2_B_DXTB501_1
(ALPHA-1-ANTICHYMOTRY
PSIN)		5b6o 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 9
LEU A 220
ALA A 267
PHE A 219
VAL A 212
ILE A 259
1.56A21.45
7.62
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.
5OM2_B_DXTB501_1
(ALPHA-1-ANTICHYMOTRY
PSIN)		5c8s NSP10
(SARSr-CoV)		5 / 9
LEU C  75
ALA C  24
ASP C  22
VAL C  13
ILE C  38
1.27A15.45
17.43
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.
5OM3_B_DXTB501_1
(ALPHA-1-ANTICHYMOTRY
PSIN)		5c8s GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		4 / 6
LEU D 253
SER D 255
ASP D 258
HIS D 268
1.56A20.39
6.45
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XRL_A_DXTA1211_1
(TETRACYCLINE
REPRESSOR PROTEIN
CLASS D)		5c8s GUANINE-N7
METHYLTRANSFERASE
NSP10
(SARSr-CoV)		5 / 12
SER A  11
ASN A  10
THR B   5
VAL B   4
LEU B  27
1.51A20.00
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.
5OM3_B_DXTB501_1
(ALPHA-1-ANTICHYMOTRY
PSIN)		5c8t GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		4 / 6
LEU D 253
SER D 255
ASP D 258
HIS D 268
1.48A20.36
6.45
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2O7O_A_DXTA222_1
(TETRACYCLINE
REPRESSOR PROTEIN
CLASS D)		5c8t GUANINE-N7
METHYLTRANSFERASE
NSP10
(SARSr-CoV)		5 / 12
SER B  28
PHE B  33
HIS B  19
THR B  25
VAL A  42
1.68A17.06
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.
5OM3_B_DXTB501_1
(ALPHA-1-ANTICHYMOTRY
PSIN)		5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)		4 / 6
LEU D   7
SER O  11
PHE D  60
HIS D 188
1.71A21.24
6.45
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2O7O_A_DXTA222_1
(TETRACYCLINE
REPRESSOR PROTEIN
CLASS D)		5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)		5 / 12
SER C  28
PHE C  33
HIS C  19
THR C  25
VAL P  42
1.78A17.06
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.
2XRL_A_DXTA1211_1
(TETRACYCLINE
REPRESSOR PROTEIN
CLASS D)		5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)		5 / 12
SER O  11
ASN O  10
THR D   5
VAL D   4
LEU D  27
1.39A16.45
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5OM2_B_DXTB501_1
(ALPHA-1-ANTICHYMOTRY
PSIN)		5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)		6 / 9
VAL P 108
LEU P  75
ALA P  24
ASP P  22
VAL P  13
ILE P  38
1.43A16.62
14.41
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.
5OM3_B_DXTB501_1
(ALPHA-1-ANTICHYMOTRY
PSIN)		5tl6 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 6
SER B  79
PHE B  80
ASP B  77
HIS B 172
1.67A24.21
7.20
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.
5OM2_B_DXTB501_1
(ALPHA-1-ANTICHYMOTRY
PSIN)		5tl7 UBIQUITIN-LIKE
PROTEIN ISG15
(Mus
musculus)		5 / 9
LEU A 105
ASP A 131
VAL A  84
HIS A 149
ILE A  82
1.46A11.49
20.78
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.
2XRL_A_DXTA1211_1
(TETRACYCLINE
REPRESSOR PROTEIN
CLASS D)		5x58 SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		5 / 12
SER C 703
THR C1048
LEU C1045
ILE C 916
SER C 919
1.52A10.20
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.
5OM3_B_DXTB501_1
(ALPHA-1-ANTICHYMOTRY
PSIN)		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		4 / 6
LEU A 235
PHE A  76
ASP A  77
TRP A 245
1.71A14.26
3.48
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.
5OM3_B_DXTB501_1
(ALPHA-1-ANTICHYMOTRY
PSIN)		5x5c S PROTEIN
(MERS-CoV)		4 / 6
LEU A 324
SER A 353
PHE A 354
ASP A 355
1.46A14.30
2.90
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XRL_A_DXTA1211_1
(TETRACYCLINE
REPRESSOR PROTEIN
CLASS D)		5xlr SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
SER B 703
THR B 705
LEU B1045
ILE B 913
SER B 914
1.60A10.81
SER  B 703 ( 0.0A)
THR  B 705 ( 0.8A)
LEU  B1045 ( 0.6A)
ILE  B 913 ( 0.4A)
SER  B 914 ( 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.
5OM3_B_DXTB501_1
(ALPHA-1-ANTICHYMOTRY
PSIN)		5xlr SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 6
LEU A 948
SER B 556
PHE B 558
ASP B 554
1.55A15.07
3.44
LEU  A 948 ( 0.6A)
SER  B 556 ( 0.0A)
PHE  B 558 ( 1.3A)
ASP  B 554 ( 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.
5OM3_B_DXTB501_1
(ALPHA-1-ANTICHYMOTRY
PSIN)		5y3e REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		4 / 6
SER A  79
PHE A  80
ASP A  77
HIS A 172
1.62A23.82
11.48
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.
2XRL_A_DXTA1211_1
(TETRACYCLINE
REPRESSOR PROTEIN
CLASS D)		6acg ACE2
(Homo
sapiens)		5 / 12
ASN D  33
THR D  92
VAL D  93
GLN D  96
LEU D  97
0.90A15.82
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.
2O7O_A_DXTA222_1
(TETRACYCLINE
REPRESSOR PROTEIN
CLASS D)		6acg ACE2
(Homo
sapiens)		5 / 12
PRO D 583
THR D 519
GLN D 522
ILE D 407
SER D 411
1.61A15.99
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XRL_A_DXTA1211_1
(TETRACYCLINE
REPRESSOR PROTEIN
CLASS D)		6acj SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
SER A 703
THR A1048
LEU A1045
ILE A 916
SER A 919
1.30A10.81
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5OM3_B_DXTB501_1
(ALPHA-1-ANTICHYMOTRY
PSIN)		6acj ACE2
(Homo
sapiens)		4 / 6
LEU D 410
SER D 411
ASP D 543
HIS D 540
1.55A21.63
4.67
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.
2O7O_A_DXTA222_1
(TETRACYCLINE
REPRESSOR PROTEIN
CLASS D)		6ack SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
SER A 303
ASN C 746
VAL A 581
GLN A 301
SER C 717
1.75A10.92
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5OM3_B_DXTB501_1
(ALPHA-1-ANTICHYMOTRY
PSIN)		6crw SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 6
LEU B 355
SER B 353
PHE B 325
ASP B 351
1.47A14.91
3.48
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.
2O7O_A_DXTA222_1
(TETRACYCLINE
REPRESSOR PROTEIN
CLASS D)		6cs0 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
ASN A 118
THR A 236
VAL A 140
GLN A 147
SER A 169
1.56A10.48
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.
2XRL_A_DXTA1211_1
(TETRACYCLINE
REPRESSOR PROTEIN
CLASS D)		6cs1 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
THR C 809
VAL C 808
GLN C 931
LEU C 930
SER C 924
1.53A10.38
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XRL_A_DXTA1211_1
(TETRACYCLINE
REPRESSOR PROTEIN
CLASS D)		6cs2 ACE2
(Homo
sapiens)		5 / 12
ASN D  33
THR D  92
VAL D  93
GLN D  96
LEU D  97
0.88A15.40
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5OM3_B_DXTB501_1
(ALPHA-1-ANTICHYMOTRY
PSIN)		6cs2 ACE2
(Homo
sapiens)		4 / 6
LEU D 333
PHE D 308
ASP D 303
TRP D 328
1.73A21.88
4.67
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.
2XRL_A_DXTA1211_1
(TETRACYCLINE
REPRESSOR PROTEIN
CLASS D)		6m18 ACE2
(Homo
sapiens)		5 / 12
ASN D  33
THR D  92
VAL D  93
GLN D  96
LEU D  97
0.97A13.13
None
NAG  D 903 ( 4.8A)
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.
2O7O_A_DXTA222_1
(TETRACYCLINE
REPRESSOR PROTEIN
CLASS D)		6nb8 S230 ANTIGEN-BINDING
(FAB) FRAGMENT,
HEAVY CHAIN
S230 ANTIGEN-BINDING
(FAB) FRAGMENT,
LIGHT CHAIN
(Homo
sapiens)		5 / 12
SER L 181
THR L 183
VAL L 137
ILE L 122
SER H 144
1.63A22.86
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5OM3_B_DXTB501_1
(ALPHA-1-ANTICHYMOTRY
PSIN)		6nur NSP12
(SARSr-CoV)		4 / 6
LEU A 245
ASP A 465
HIS A 309
TRP A 290
1.44A18.09
4.28
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.
5OM2_B_DXTB501_1
(ALPHA-1-ANTICHYMOTRY
PSIN)		6vw1 SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 9
LEU E 425
PHE E 429
ASP E 428
VAL E 433
ILE E 410
1.48A20.35
14.47
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.
2XRL_A_DXTA1211_1
(TETRACYCLINE
REPRESSOR PROTEIN
CLASS D)		6vw1 ACE2
(Homo
sapiens)		5 / 12
ASN A  33
THR A  92
VAL A  93
GLN A  96
LEU A  97
0.92A15.82
None