Ligand ID: TEP


Drugbank ID:
DB00277
(Theophylline)


Indication:
For the treatment of the symptoms and reversible airflow obstruction associated with chronic asthma and other chronic lung diseases, such as emphysema and chronic bronchitis.

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

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'TEP' 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.
5MZJ_A_TEPA2401_1
(ADENOSINE RECEPTOR
A2A,SOLUBLE
CYTOCHROME
B562,ADENOSINE
RECEPTOR A2A)		1qz8 POLYPROTEIN 1AB
(SARSr-CoV)		4 / 8
PHE A  40
LEU A  94
ASN A  95
ILE A  91
1.36A13.19
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.
4EOH_A_TEPA402_1
(PYRIDOXAL KINASE)		1uk2 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 5
SER B 144
GLY B 146
THR B  26
VAL B  42
1.68A21.53
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.
2A3A_A_TEPA1436_1
(CHITINASE)		1uk3 3C-LIKE PROTEINASE
(SARSr-CoV)		3 / 3
ASP A 153
PHE A 294
ARG A 298
1.20A21.53
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.
5MZJ_A_TEPA2401_1
(ADENOSINE RECEPTOR
A2A,SOLUBLE
CYTOCHROME
B562,ADENOSINE
RECEPTOR A2A)		1uw7 NSP9
(SARS-COV
HKU-39849)		4 / 8
LEU A   9
LEU A  94
ASN A  98
ILE A  91
1.38A15.84
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.
4EOH_A_TEPA402_1
(PYRIDOXAL KINASE)		1wof 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 5
SER B   0
GLY B 215
THR A 169
ASP B 216
1.50A21.22
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.
2A3A_A_TEPA1435_1
(CHITINASE)		1x7q HLA, A-11
(Homo
sapiens)		3 / 3
TRP A 167
GLU A  63
TYR A  59
1.00A19.49
SO4  A4003 (-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.
5MZJ_A_TEPA2401_1
(ADENOSINE RECEPTOR
A2A,SOLUBLE
CYTOCHROME
B562,ADENOSINE
RECEPTOR A2A)		1z1j 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 8
LEU A 220
MET A 264
LEU A 271
ILE A 281
1.43A21.30
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.
4EOH_B_TEPB402_1
(PYRIDOXAL KINASE)		2ahm REPLICASE
POLYPROTEIN 1AB,
HEAVY CHAIN
(SARSr-CoV)		4 / 5
SER H 182
TYR H 140
VAL H 137
ASP H 139
1.39A21.97
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.
5MZJ_A_TEPA2401_1
(ADENOSINE RECEPTOR
A2A,SOLUBLE
CYTOCHROME
B562,ADENOSINE
RECEPTOR A2A)		2ahm REPLICASE
POLYPROTEIN 1AB,
LIGHT CHAIN
(SARSr-CoV)		4 / 8
LEU D  18
MET D  57
LEU D  65
ILE D  73
1.22A14.81
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.
3ROX_A_TEPA266_1
(APOLIPOPROTEIN
A-I-BINDING PROTEIN)		2ajf ACE2
(Homo
sapiens)		4 / 8
VAL A 226
ASP A 225
LEU A 222
THR A 517
0.89A17.47
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.
4EOH_B_TEPB402_1
(PYRIDOXAL KINASE)		2ajf SPIKE PROTEIN
(SARSr-CoV)		4 / 5
SER E 500
TYR E 383
VAL E 328
ASP E 385
1.64A18.83
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.
2A3A_A_TEPA1434_1
(CHITINASE)		2ajf ACE2
(Homo
sapiens)		3 / 3
TRP A 461
THR A 517
TYR A 516
1.73A21.77
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.
2A3A_A_TEPA1436_1
(CHITINASE)		2ajf SPIKE PROTEIN
(SARSr-CoV)		3 / 3
ASP F 385
PHE F 451
ARG F 342
1.70A16.95
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.
4EOH_A_TEPA402_1
(PYRIDOXAL KINASE)		2dd8 IGG LIGHT CHAIN
(Homo
sapiens)		4 / 5
SER L  67
GLY L  29
THR L  72
VAL L  33
1.26A20.57
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A3A_A_TEPA1436_1
(CHITINASE)		2dd8 IGG HEAVY CHAIN
(Homo
sapiens)		3 / 3
ASP H  86
PHE H  63
ARG H  38
1.72A21.30
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.
4EOH_B_TEPB402_1
(PYRIDOXAL KINASE)		2dd8 SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 5
SER S 500
TYR S 383
VAL S 328
ASP S 385
1.65A19.62
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.
2A3A_A_TEPA1434_1
(CHITINASE)		2dd8 IGG HEAVY CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARSr-CoV)		3 / 3
TRP H  47
THR H  33
TYR S 491
1.74A21.30
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.
5MZJ_A_TEPA2401_1
(ADENOSINE RECEPTOR
A2A,SOLUBLE
CYTOCHROME
B562,ADENOSINE
RECEPTOR A2A)		2fe8 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 8
LEU C 121
PHE C 148
LEU C 114
ILE C 105
1.41A20.14
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.
3ROX_A_TEPA266_1
(APOLIPOPROTEIN
A-I-BINDING PROTEIN)		2ga6 ORF1A POLYPROTEIN
(SARSr-CoV)		4 / 8
ALA M  20
VAL M  21
ASP M  22
ASP M  29
0.95A18.94
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EOH_B_TEPB402_1
(PYRIDOXAL KINASE)		2ghv SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 5
SER C 500
TYR C 383
VAL C 328
ASP C 385
1.63A19.23
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ROX_A_TEPA266_1
(APOLIPOPROTEIN
A-I-BINDING PROTEIN)		2ghw ANTI-SCFV ANTIBODY,
80R
(Homo
sapiens)		4 / 8
ALA D  92
ASP D  90
LEU D  86
LEU D  81
1.04A21.33
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.
2A3A_A_TEPA1434_1
(CHITINASE)		2ghw ANTI-SCFV ANTIBODY,
80R
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARSr-CoV)		3 / 3
TRP D  47
THR C 486
TYR C 484
1.39A19.39
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EOH_A_TEPA402_1
(PYRIDOXAL KINASE)		2jw8 NUCLEOCAPSID PROTEIN
(SARSr-CoV)		4 / 5
SER A 313
GLY A 317
THR B 297
VAL B 271
1.53A13.78
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.
5MZJ_A_TEPA2401_1
(ADENOSINE RECEPTOR
A2A,SOLUBLE
CYTOCHROME
B562,ADENOSINE
RECEPTOR A2A)		2jze REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 8
LEU A 596
PHE A 581
MET A 551
ILE A 549
1.38A15.59
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MZJ_A_TEPA2401_1
(ADENOSINE RECEPTOR
A2A,SOLUBLE
CYTOCHROME
B562,ADENOSINE
RECEPTOR A2A)		2ozk URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		4 / 8
LEU A 331
PHE A 302
LEU A 248
ILE A 295
1.13A23.01
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MZJ_A_TEPA2401_1
(ADENOSINE RECEPTOR
A2A,SOLUBLE
CYTOCHROME
B562,ADENOSINE
RECEPTOR A2A)		2w2g NSP3
(SARSr-CoV)		4 / 8
LEU B 599
PHE B 581
GLU B 571
ILE B 592
1.27A19.14
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.
3ROX_A_TEPA266_1
(APOLIPOPROTEIN
A-I-BINDING PROTEIN)		2xyq NSP10
(SARSr-CoV)		4 / 8
ALA B  20
VAL B  21
ASP B  22
ASP B  29
1.06A17.91
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.
4EOH_A_TEPA402_1
(PYRIDOXAL KINASE)		2xyr NSP10
PUTATIVE 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		4 / 5
SER B  72
GLY B  69
VAL A  84
ASP A 106
1.66A16.10
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.
4EOH_A_TEPA402_1
(PYRIDOXAL KINASE)		2xyv NSP10
PUTATIVE 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		4 / 5
SER B  72
GLY B  69
VAL A  84
ASP A 106
1.68A16.10
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.
5MZJ_A_TEPA2401_1
(ADENOSINE RECEPTOR
A2A,SOLUBLE
CYTOCHROME
B562,ADENOSINE
RECEPTOR A2A)		3atw 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 8
LEU B 287
GLU B 270
MET B 276
LEU B 272
1.36A20.00
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.
4EOH_A_TEPA402_1
(PYRIDOXAL KINASE)		3bgf SPIKE PROTEIN S1
(SARSr-CoV)		4 / 5
GLY S 490
THR S 363
VAL S 394
ASP S 392
1.57A19.61
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.
4EOH_B_TEPB402_1
(PYRIDOXAL KINASE)		3bgf SPIKE PROTEIN S1
(SARSr-CoV)		4 / 5
SER A 500
TYR A 383
VAL A 328
ASP A 385
1.64A19.61
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.
4EOH_B_TEPB402_1
(PYRIDOXAL KINASE)		3d0g SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 5
SER F 500
TYR F 383
VAL F 328
ASP F 385
1.71A18.27
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EOH_A_TEPA402_1
(PYRIDOXAL KINASE)		3d0g SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 5
GLY F 490
THR F 363
VAL F 394
ASP F 392
1.50A18.27
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EOH_A_TEPA402_1
(PYRIDOXAL KINASE)		3d0g ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		4 / 5
SER B 420
GLY B 422
THR B 414
VAL B 293
1.62A20.96
NDG  B 618 (-3.1A)
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.
2A3A_A_TEPA1434_1
(CHITINASE)		3d0g ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		3 / 3
TRP A 461
THR A 517
TYR A 516
1.65A21.38
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.
4EOH_A_TEPA402_1
(PYRIDOXAL KINASE)		3d0h SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 5
GLY F 490
THR F 363
VAL F 394
ASP F 392
1.46A18.91
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.
4EOH_B_TEPB402_1
(PYRIDOXAL KINASE)		3d0h SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 5
SER F 500
TYR F 383
VAL F 328
ASP F 385
1.75A18.91
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.
4EOH_A_TEPA402_1
(PYRIDOXAL KINASE)		3d0i SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 5
GLY F 490
THR F 363
VAL F 394
ASP F 392
1.52A18.59
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ROX_A_TEPA266_1
(APOLIPOPROTEIN
A-I-BINDING PROTEIN)		3d0i ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		4 / 8
VAL A 226
ASP A 225
LEU A 222
THR A 517
0.90A17.30
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.
4EOH_B_TEPB402_1
(PYRIDOXAL KINASE)		3d0i SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 5
SER F 500
TYR F 383
VAL F 328
ASP F 385
1.78A18.59
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MZJ_A_TEPA2401_1
(ADENOSINE RECEPTOR
A2A,SOLUBLE
CYTOCHROME
B562,ADENOSINE
RECEPTOR A2A)		3e9s NSP3
(SARSr-CoV)		4 / 8
LEU A 121
PHE A 148
LEU A 114
ILE A 105
1.45A20.48
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.
5MZJ_A_TEPA2401_1
(ADENOSINE RECEPTOR
A2A,SOLUBLE
CYTOCHROME
B562,ADENOSINE
RECEPTOR A2A)		3ee7 REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		4 / 8
LEU C   9
LEU C  94
ASN C  95
ILE C  91
1.37A14.06
None
None
PO4  D 124 (-4.3A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A3A_A_TEPA1435_1
(CHITINASE)		3i6g HLA, A-2
(Homo
sapiens)		3 / 3
TRP A 167
GLU A  63
TYR A  59
0.86A19.44
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.
5MZJ_A_TEPA2401_1
(ADENOSINE RECEPTOR
A2A,SOLUBLE
CYTOCHROME
B562,ADENOSINE
RECEPTOR A2A)		3m3v 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 8
LEU A 220
MET A 264
LEU A 271
ILE A 281
1.43A20.91
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.
5MZJ_A_TEPA2401_1
(ADENOSINE RECEPTOR
A2A,SOLUBLE
CYTOCHROME
B562,ADENOSINE
RECEPTOR A2A)		3r24 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		4 / 8
LEU A 274
MET A 270
LEU A 262
ASN A 268
1.43A20.52
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EOH_A_TEPA402_1
(PYRIDOXAL KINASE)		3r24 2'-O-METHYL
TRANSFERASE
NSP10 AND NSP11
(SARSr-CoV)		4 / 5
SER B  72
GLY B  69
VAL A  84
ASP A 106
1.64A17.31
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.
3ROX_A_TEPA266_1
(APOLIPOPROTEIN
A-I-BINDING PROTEIN)		3r24 NSP10 AND NSP11
(SARSr-CoV)		4 / 8
ALA B  20
VAL B  21
ASP B  22
ASP B  29
1.02A18.08
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.
2A3A_A_TEPA1436_1
(CHITINASE)		3sci SPIKE GLYCOPROTEIN
(SARSr-CoV)		3 / 3
ASP F 385
PHE F 451
ARG F 342
1.80A20.05
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EOH_B_TEPB402_1
(PYRIDOXAL KINASE)		3scj SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 5
SER F 500
TYR F 383
VAL F 328
ASP F 385
1.71A19.61
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.
2A3A_A_TEPA1434_1
(CHITINASE)		3scj ACE2
(Homo
sapiens)		3 / 3
TRP B 461
THR B 517
TYR B 516
1.64A21.77
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.
2A3A_A_TEPA1434_1
(CHITINASE)		3sck ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		3 / 3
TRP A 461
THR A 517
TYR A 516
1.64A21.38
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.
3ROX_A_TEPA266_1
(APOLIPOPROTEIN
A-I-BINDING PROTEIN)		3scl ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		4 / 8
VAL A 226
ASP A 225
LEU A 222
THR A 517
1.01A18.12
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.
4EOH_A_TEPA402_1
(PYRIDOXAL KINASE)		3scl SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 5
GLY F 490
THR F 363
VAL F 394
ASP F 392
1.62A18.39
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EOH_A_TEPA402_1
(PYRIDOXAL KINASE)		3scl ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		4 / 5
SER B 420
GLY B 422
THR B 414
VAL B 293
1.64A21.13
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.
5MZJ_A_TEPA2401_1
(ADENOSINE RECEPTOR
A2A,SOLUBLE
CYTOCHROME
B562,ADENOSINE
RECEPTOR A2A)		3to2 BETA-2-MICROGLOBULIN
(Homo
sapiens)		4 / 8
LEU B  23
GLU B  77
LEU B  40
ILE B  92
1.43A10.60
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MZJ_A_TEPA2401_1
(ADENOSINE RECEPTOR
A2A,SOLUBLE
CYTOCHROME
B562,ADENOSINE
RECEPTOR A2A)		4mm3 PAPAIN-LIKE
PROTEINASE
(SARSr-CoV)		4 / 8
LEU B 121
PHE B 148
LEU B 114
ILE B 105
1.44A20.48
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.
5MZJ_A_TEPA2401_1
(ADENOSINE RECEPTOR
A2A,SOLUBLE
CYTOCHROME
B562,ADENOSINE
RECEPTOR A2A)		5c8s GUANINE-N7
METHYLTRANSFERASE
NSP10
(SARSr-CoV)		4 / 8
LEU B 192
PHE A  19
MET B  62
LEU B   7
1.31A21.69
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.
4EOH_A_TEPA402_1
(PYRIDOXAL KINASE)		5c8s GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		4 / 5
SER D 112
GLY D  88
THR D 173
VAL D 181
1.33A19.18
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.
5MZJ_A_TEPA2401_1
(ADENOSINE RECEPTOR
A2A,SOLUBLE
CYTOCHROME
B562,ADENOSINE
RECEPTOR A2A)		5c8u GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		4 / 8
LEU D 109
PHE D  89
LEU D 170
ILE D  87
1.32A21.69
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.
4EOH_A_TEPA402_1
(PYRIDOXAL KINASE)		5c8u GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		4 / 5
SER D 112
GLY D  88
THR D 173
VAL D 181
1.10A19.52
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EOH_A_TEPA402_1
(PYRIDOXAL KINASE)		5c8u NSP10
(SARSr-CoV)		4 / 5
SER A  72
GLY A  69
THR A 111
VAL A  97
1.46A18.83
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.
4EOH_B_TEPB402_1
(PYRIDOXAL KINASE)		5f22 NSP8
(SARSr-CoV)		4 / 5
SER B 182
TYR B 140
VAL B 137
ASP B 139
1.43A19.78
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.
4EOH_A_TEPA402_1
(PYRIDOXAL KINASE)		5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)		4 / 5
SER B 112
GLY B  88
THR B 173
VAL B 181
1.26A19.67
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.
5MZJ_A_TEPA2401_1
(ADENOSINE RECEPTOR
A2A,SOLUBLE
CYTOCHROME
B562,ADENOSINE
RECEPTOR A2A)		5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)		4 / 8
LEU B 192
PHE N  19
MET B  62
LEU B   7
1.22A21.69
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.
5MZJ_A_TEPA2401_1
(ADENOSINE RECEPTOR
A2A,SOLUBLE
CYTOCHROME
B562,ADENOSINE
RECEPTOR A2A)		5tl6 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 8
LEU B 121
PHE B 148
LEU B 114
ILE B 105
1.41A20.84
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.
5MZJ_A_TEPA2401_1
(ADENOSINE RECEPTOR
A2A,SOLUBLE
CYTOCHROME
B562,ADENOSINE
RECEPTOR A2A)		5x59 S PROTEIN
(MERS-CoV)		4 / 8
LEU B 951
GLU B 944
LEU B1134
ASN B1129
1.16A16.36
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.
4EOH_A_TEPA402_1
(PYRIDOXAL KINASE)		5x59 S PROTEIN
(MERS-CoV)		4 / 5
SER C1114
GLY C1120
THR A 961
VAL C1181
1.69A13.60
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MZJ_A_TEPA2401_1
(ADENOSINE RECEPTOR
A2A,SOLUBLE
CYTOCHROME
B562,ADENOSINE
RECEPTOR A2A)		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		4 / 8
LEU A 920
GLU A 801
LEU A1045
ILE A 913
1.39A15.67
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.
4EOH_A_TEPA402_1
(PYRIDOXAL KINASE)		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		4 / 5
GLY B 400
THR C 372
VAL A 969
ASP B 414
1.40A13.88
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.
4EOH_A_TEPA402_1
(PYRIDOXAL KINASE)		5xlr SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 5
SER A 303
GLY A 580
THR C 743
ASP C 719
1.63A13.70
SER  A 303 ( 0.0A)
GLY  A 580 ( 0.0A)
THR  C 743 ( 0.8A)
ASP  C 719 ( 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.
5MZJ_A_TEPA2401_1
(ADENOSINE RECEPTOR
A2A,SOLUBLE
CYTOCHROME
B562,ADENOSINE
RECEPTOR A2A)		5xlr SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 8
LEU A 374
PHE A 379
LEU A 499
ILE A 345
1.42A15.62
LEU  A 374 ( 0.6A)
PHE  A 379 ( 1.3A)
LEU  A 499 ( 0.6A)
ILE  A 345 ( 0.7A)
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.
3ROX_A_TEPA266_1
(APOLIPOPROTEIN
A-I-BINDING PROTEIN)		6acd SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 8
ALA A1037
VAL A1043
LEU A1045
ASP A 802
LEU A 803
1.64A12.71
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.
3ROX_A_TEPA266_1
(APOLIPOPROTEIN
A-I-BINDING PROTEIN)		6acg ACE2
(Homo
sapiens)		4 / 8
VAL D 226
ASP D 225
LEU D 222
THR D 517
0.86A18.29
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.
4EOH_B_TEPB402_1
(PYRIDOXAL KINASE)		6acg SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 5
SER B 500
TYR B 383
VAL B 328
ASP B 385
1.59A13.79
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.
2A3A_A_TEPA1436_1
(CHITINASE)		6acj SPIKE GLYCOPROTEIN
(SARSr-CoV)		3 / 3
ASP B 385
PHE B 451
ARG B 342
1.27A16.64
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.
4EOH_A_TEPA402_1
(PYRIDOXAL KINASE)		6ack ACE2
(Homo
sapiens)		4 / 5
SER D 420
GLY D 422
THR D 414
VAL D 293
1.52A20.62
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.
5MZJ_A_TEPA2401_1
(ADENOSINE RECEPTOR
A2A,SOLUBLE
CYTOCHROME
B562,ADENOSINE
RECEPTOR A2A)		6ack SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 8
LEU A 734
GLU A 970
LEU A 963
ILE A 962
1.25A15.62
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.
4EOH_A_TEPA402_1
(PYRIDOXAL KINASE)		6ack SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 5
GLY C 928
THR C 809
VAL C 934
ASP C 932
0.92A13.79
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.
4EOH_A_TEPA402_1
(PYRIDOXAL KINASE)		6crv SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 5
SER B 861
GLY B 862
THR B 856
VAL B1015
1.62A13.78
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.
3ROX_A_TEPA266_1
(APOLIPOPROTEIN
A-I-BINDING PROTEIN)		6crw SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 8
ALA B1038
VAL B1043
LEU B1045
LEU B 803
1.06A12.17
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EOH_A_TEPA402_1
(PYRIDOXAL KINASE)		6crw SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 5
SER B 861
GLY B 862
THR B 856
VAL B1015
1.51A13.78
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.
5MZJ_A_TEPA2401_1
(ADENOSINE RECEPTOR
A2A,SOLUBLE
CYTOCHROME
B562,ADENOSINE
RECEPTOR A2A)		6crz SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 8
LEU C 222
PHE C 161
ASN B 347
ILE C 164
1.35A15.52
None
None
None
NAG  C1302 ( 4.0A)
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.
4EOH_B_TEPB402_1
(PYRIDOXAL KINASE)		6cs1 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 5
HIS A 445
TYR A 408
VAL A 458
ASP A 454
1.57A13.78
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.
2A3A_A_TEPA1436_1
(CHITINASE)		6cs2 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		3 / 3
ASP A 802
PHE A 805
ARG A 797
1.38A16.60
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MZJ_A_TEPA2401_1
(ADENOSINE RECEPTOR
A2A,SOLUBLE
CYTOCHROME
B562,ADENOSINE
RECEPTOR A2A)		6cs2 ACE2
(Homo
sapiens)		4 / 8
LEU D 520
GLU D 457
LEU D 222
ILE D 223
1.39A19.32
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A3A_A_TEPA1435_1
(CHITINASE)		6iex MHC CLASS I ANTIGEN
(Homo
sapiens)		3 / 3
TRP A 167
GLU A  63
TYR A  59
0.89A20.14
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.
5MZJ_A_TEPA2401_1
(ADENOSINE RECEPTOR
A2A,SOLUBLE
CYTOCHROME
B562,ADENOSINE
RECEPTOR A2A)		6jyt HELICASE
(SARSr-CoV)		4 / 8
LEU B  25
LEU B 130
ASN B 102
ILE B 109
1.38A21.14
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.
4EOH_A_TEPA402_1
(PYRIDOXAL KINASE)		6jyt HELICASE
(SARSr-CoV)		4 / 5
SER B 539
GLY B 538
THR B 532
VAL B 563
1.62A19.12
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.
3ROX_A_TEPA266_1
(APOLIPOPROTEIN
A-I-BINDING PROTEIN)		6m17 ACE2
(Homo
sapiens)		4 / 8
VAL B 226
ASP B 225
LEU B 222
THR B 517
0.95A14.32
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A3A_A_TEPA1433_1
(CHITINASE)		6m1d SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		5 / 11
TYR C 292
GLY C 215
GLU C 437
TYR C  41
TRP C  35
1.74A21.52
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A3A_A_TEPA1436_1
(CHITINASE)		6m1d ACE2
(Homo
sapiens)		3 / 3
ASP D 719
PHE D 724
ARG D 708
1.47A20.12
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.
5MZJ_A_TEPA2401_1
(ADENOSINE RECEPTOR
A2A,SOLUBLE
CYTOCHROME
B562,ADENOSINE
RECEPTOR A2A)		6m1d SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		4 / 8
LEU C 485
PHE C 473
LEU C 127
ILE C 469
1.29A21.75
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.
2A3A_A_TEPA1434_1
(CHITINASE)		6m1d ACE2
(Homo
sapiens)		3 / 3
TRP D 594
THR D 282
TYR D 279
1.58A20.12
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.
2A3A_A_TEPA1436_1
(CHITINASE)		6nb6 SPIKE GLYCOPROTEIN
(SARSr-CoV)		3 / 3
ASP C 802
PHE C 805
ARG C 797
1.63A16.60
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A3A_A_TEPA1436_1
(CHITINASE)		6nb8 S230 ANTIGEN-BINDING
(FAB) FRAGMENT,
HEAVY CHAIN
(Homo
sapiens)		3 / 3
ASP H  74
PHE H  29
ARG H  72
1.38A21.66
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.
4EOH_B_TEPB402_1
(PYRIDOXAL KINASE)		6nur NSP8
(SARSr-CoV)		4 / 5
SER D 177
TYR D 135
VAL D 132
ASP D 134
1.39A19.63
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.
4EOH_A_TEPA402_1
(PYRIDOXAL KINASE)		6nur NSP12
(SARSr)		4 / 5
GLY A 446
THR A 556
VAL A 410
ASP A 445
1.31A15.44
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.
5MZJ_A_TEPA2401_1
(ADENOSINE RECEPTOR
A2A,SOLUBLE
CYTOCHROME
B562,ADENOSINE
RECEPTOR A2A)		6nur NSP7
(SARSr-CoV)		4 / 8
LEU C  13
MET C  52
LEU C  60
ILE C  68
1.24A13.86
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.
3ROX_A_TEPA266_1
(APOLIPOPROTEIN
A-I-BINDING PROTEIN)		6nur NSP12
(SARSr)		4 / 8
VAL A 476
ASP A 477
ASP A 304
LEU A 636
1.26A14.33
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.
3ROX_A_TEPA266_1
(APOLIPOPROTEIN
A-I-BINDING PROTEIN)		6nus NSP12
NSP8
(SARSr-CoV)		5 / 8
VAL B 130
ASP A 390
LEU A 389
ASP B 134
THR B 141
1.76A20.50
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.
4EOH_B_TEPB402_1
(PYRIDOXAL KINASE)		6vw1 SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 5
SER F 514
TYR F 396
VAL F 341
ASP F 398
1.74A21.79
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.
4EOH_A_TEPA402_1
(PYRIDOXAL KINASE)		6vw1 ACE2
(Homo
sapiens)		4 / 5
SER B 420
GLY B 422
THR B 414
VAL B 293
1.53A20.62
NAG  B 708 (-3.2A)
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.
2A3A_A_TEPA1436_1
(CHITINASE)		6vw1 SPIKE GLYCOPROTEIN
(SARS-CoV-2)		3 / 3
ASP E 398
PHE E 464
ARG E 355
1.79A22.55
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ROX_A_TEPA266_1
(APOLIPOPROTEIN
A-I-BINDING PROTEIN)		6w41 CR3022 FAB HEAVY
CHAIN
(Homo
sapiens)		4 / 8
ALA H  88
ASP H  86
LEU H  82
LEU H  80
1.10A21.07
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.
3ROX_A_TEPA266_1
(APOLIPOPROTEIN
A-I-BINDING PROTEIN)		6w41 CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		5 / 8
ALA L  84
VAL L  83
ASP L  82
LEU L  78
LEU L  73
1.55A20.46
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.
3ROX_A_TEPA266_1
(APOLIPOPROTEIN
A-I-BINDING PROTEIN)		6w41 CR3022 FAB HEAVY
CHAIN
CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		4 / 8
VAL H 181
LEU L 135
ASP L 167
THR L 164
1.75A21.07
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.
5MZJ_A_TEPA2401_1
(ADENOSINE RECEPTOR
A2A,SOLUBLE
CYTOCHROME
B562,ADENOSINE
RECEPTOR A2A)		6w41 CR3022 FAB HEAVY
CHAIN
(Homo
sapiens)		4 / 8
LEU H  80
GLU H  46
MET H  48
ILE H  89
1.55A15.38
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.
3ROX_A_TEPA266_1
(APOLIPOPROTEIN
A-I-BINDING PROTEIN)		6w41 CR3022 FAB HEAVY
CHAIN
(Homo
sapiens)		4 / 8
ALA H  88
VAL H 109
ASP H  86
LEU H  82
1.44A21.07
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.
2A3A_A_TEPA1434_1
(CHITINASE)		6w41 CR3022 FAB HEAVY
CHAIN
CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		3 / 3
TRP H  33
THR L  94
TYR L  96
1.72A18.20
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.
3ROX_A_TEPA266_1
(APOLIPOPROTEIN
A-I-BINDING PROTEIN)		6w41 CR3022 FAB HEAVY
CHAIN
(Homo
sapiens)		4 / 8
ALA H  88
VAL H 109
ASP H  86
LEU H  18
1.40A21.07
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.
3ROX_A_TEPA266_1
(APOLIPOPROTEIN
A-I-BINDING PROTEIN)		6w41 CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		4 / 8
ALA L  84
VAL L  83
ASP L  82
LEU L  11
1.49A20.46
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.
3ROX_A_TEPA266_1
(APOLIPOPROTEIN
A-I-BINDING PROTEIN)		6w41 CR3022 FAB HEAVY
CHAIN
CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		4 / 8
ALA H  93
VAL H  37
LEU H  45
LEU L  46
1.69A21.07
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.
4EOH_A_TEPA402_1
(PYRIDOXAL KINASE)		6w41 CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		4 / 5
SER L  76
GLY L  16
THR L  20
VAL L  13
1.73A19.75
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.
4EOH_A_TEPA402_1
(PYRIDOXAL KINASE)		6w41 CR3022 FAB HEAVY
CHAIN
(Homo
sapiens)		4 / 5
SER H 203
GLY H 118
THR H 151
VAL H 142
1.09A19.55
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ROX_A_TEPA266_1
(APOLIPOPROTEIN
A-I-BINDING PROTEIN)		6w41 CR3022 FAB HEAVY
CHAIN
(Homo
sapiens)		4 / 8
ALA H  88
VAL H 109
LEU H  18
THR H 107
1.62A21.07
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.
3ROX_A_TEPA266_1
(APOLIPOPROTEIN
A-I-BINDING PROTEIN)		6w41 CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		4 / 8
ALA L  84
VAL L 104
LEU L  78
LEU L  47
1.78A20.46
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.
4EOH_A_TEPA402_1
(PYRIDOXAL KINASE)		6yla HEAVY CHAIN
(Homo
sapiens)		4 / 5
SER H  25
GLY H  24
THR H   0
VAL H 108
1.21A
None
None
MLI  B 303 (-4.8A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ROX_A_TEPA266_1
(APOLIPOPROTEIN
A-I-BINDING PROTEIN)		6yla LIGHT CHAIN
(Homo
sapiens)		5 / 8
ALA L  90
VAL L  89
ASP L  88
LEU L  84
LEU L  79
1.49A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A3A_B_TEPB2434_1
(CHITINASE)		6yla HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		3 / 3
TRP B  33
THR C 100
TYR C 102
1.79A21.52
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ROX_A_TEPA266_1
(APOLIPOPROTEIN
A-I-BINDING PROTEIN)		6yla LIGHT CHAIN
(Homo
sapiens)		5 / 8
ALA C  90
VAL C  89
ASP C  88
LEU C  84
LEU C  79
1.45A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ROX_A_TEPA266_1
(APOLIPOPROTEIN
A-I-BINDING PROTEIN)		6yla HEAVY CHAIN
(Homo
sapiens)		4 / 8
ALA H  92
ASP H  90
LEU H  86
LEU H  81
1.11A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ROX_A_TEPA266_1
(APOLIPOPROTEIN
A-I-BINDING PROTEIN)		6yla HEAVY CHAIN
(Homo
sapiens)		4 / 8
ALA H  92
VAL H 115
ASP H  90
LEU H  18
1.36A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EOH_A_TEPA402_1
(PYRIDOXAL KINASE)		6yla HEAVY CHAIN
(Homo
sapiens)		4 / 5
SER H 207
GLY H 122
THR H 155
VAL H 146
1.14A
None
None
MLI  H 305 ( 4.1A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A3A_A_TEPA1434_1
(CHITINASE)		6yla HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		3 / 3
TRP H  33
THR L 100
TYR L 102
1.69A21.52
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MZJ_A_TEPA2401_1
(ADENOSINE RECEPTOR
A2A,SOLUBLE
CYTOCHROME
B562,ADENOSINE
RECEPTOR A2A)		6yla HEAVY CHAIN
(Homo
sapiens)		4 / 8
LEU B  81
GLU B  46
MET B  48
ILE B  93
1.58A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EOH_A_TEPA402_1
(PYRIDOXAL KINASE)		6yla HEAVY CHAIN
(Homo
sapiens)		4 / 5
SER B 207
GLY B 122
THR B 155
VAL B 146
1.12A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EOH_A_TEPA402_1
(PYRIDOXAL KINASE)		6yla LIGHT CHAIN
(Homo
sapiens)		4 / 5
SER C  83
GLY C  16
THR C  80
VAL C  13
1.48A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EOH_A_TEPA402_1
(PYRIDOXAL KINASE)		6yla HEAVY CHAIN
(Homo
sapiens)		4 / 5
SER B  25
GLY B  24
THR B   0
VAL B 108
1.08A
None
None
MLI  B 303 (-4.2A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A3A_B_TEPB2434_1
(CHITINASE)		6yla HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		3 / 3
TRP H  33
THR L 100
TYR L 102
1.78A21.52
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ROX_A_TEPA266_1
(APOLIPOPROTEIN
A-I-BINDING PROTEIN)		6yla LIGHT CHAIN
(Homo
sapiens)		4 / 8
ALA L  90
VAL L  89
ASP L  88
LEU L  11
1.42A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ROX_A_TEPA266_1
(APOLIPOPROTEIN
A-I-BINDING PROTEIN)		6yla HEAVY CHAIN
(Homo
sapiens)		4 / 8
ALA B  92
VAL B 115
ASP B  90
LEU B  18
1.30A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EOH_A_TEPA402_1
(PYRIDOXAL KINASE)		6yla LIGHT CHAIN
(Homo
sapiens)		4 / 5
SER C  82
GLY C  16
THR C  20
VAL C  13
1.75A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MZJ_A_TEPA2401_1
(ADENOSINE RECEPTOR
A2A,SOLUBLE
CYTOCHROME
B562,ADENOSINE
RECEPTOR A2A)		6yla HEAVY CHAIN
(Homo
sapiens)		4 / 8
LEU H  81
GLU H  46
MET H  48
ILE H  93
1.57A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EOH_A_TEPA402_1
(PYRIDOXAL KINASE)		6yla LIGHT CHAIN
(Homo
sapiens)		4 / 5
SER L  83
GLY L  16
THR L  80
VAL L  13
1.54A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A3A_A_TEPA1434_1
(CHITINASE)		6yla HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		3 / 3
TRP B  33
THR C 100
TYR C 102
1.71A21.52
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ROX_A_TEPA266_1
(APOLIPOPROTEIN
A-I-BINDING PROTEIN)		6yla HEAVY CHAIN
(Homo
sapiens)		4 / 8
ALA B  92
ASP B  90
LEU B  86
LEU B  81
1.11A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ROX_A_TEPA266_1
(APOLIPOPROTEIN
A-I-BINDING PROTEIN)		6ym0 HEAVY CHAIN
(Homo
sapiens)		4 / 8
ALA H  92
ASP H  90
LEU H  86
LEU H  81
1.13A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ROX_A_TEPA266_1
(APOLIPOPROTEIN
A-I-BINDING PROTEIN)		6ym0 LIGHT CHAIN
(Homo
sapiens)		5 / 8
ALA L  90
VAL L  89
ASP L  88
LEU L  84
LEU L  79
1.60A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ROX_A_TEPA266_1
(APOLIPOPROTEIN
A-I-BINDING PROTEIN)		6ym0 HEAVY CHAIN
(Homo
sapiens)		4 / 8
ALA H  92
VAL H 115
ASP H  90
LEU H  86
1.42A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EOH_A_TEPA402_1
(PYRIDOXAL KINASE)		6ym0 LIGHT CHAIN
(Homo
sapiens)		4 / 5
SER L  83
GLY L  16
THR L  80
VAL L  13
1.57A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EOH_A_TEPA402_1
(PYRIDOXAL KINASE)		6ym0 HEAVY CHAIN
(Homo
sapiens)		4 / 5
SER H 207
GLY H 122
THR H 155
VAL H 146
1.16A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ROX_A_TEPA266_1
(APOLIPOPROTEIN
A-I-BINDING PROTEIN)		6ym0 HEAVY CHAIN
(Homo
sapiens)		4 / 8
ALA H  92
VAL H 115
ASP H  90
LEU H  18
1.34A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MZJ_A_TEPA2401_1
(ADENOSINE RECEPTOR
A2A,SOLUBLE
CYTOCHROME
B562,ADENOSINE
RECEPTOR A2A)		6ym0 HEAVY CHAIN
(Homo
sapiens)		4 / 8
LEU H  81
GLU H  46
MET H  48
ILE H  93
1.65A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EOH_A_TEPA402_1
(PYRIDOXAL KINASE)		6ym0 LIGHT CHAIN
(Homo
sapiens)		4 / 5
SER L  82
GLY L  16
THR L  20
VAL L  13
1.64A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ROX_A_TEPA266_1
(APOLIPOPROTEIN
A-I-BINDING PROTEIN)		6yor IGG L CHAIN
(Homo
sapiens)		5 / 8
ALA L  90
VAL L  89
ASP L  88
LEU L  84
LEU L  79
1.49A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ROX_A_TEPA266_1
(APOLIPOPROTEIN
A-I-BINDING PROTEIN)		6yor IGG H CHAIN
(Homo
sapiens)		4 / 8
ALA B  92
ASP B  90
LEU B  86
LEU B  81
1.09A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ROX_A_TEPA266_1
(APOLIPOPROTEIN
A-I-BINDING PROTEIN)		6yor IGG L CHAIN
(Homo
sapiens)		4 / 8
ALA C  90
VAL C  89
ASP C  88
LEU C  11
1.42A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MZJ_A_TEPA2401_1
(ADENOSINE RECEPTOR
A2A,SOLUBLE
CYTOCHROME
B562,ADENOSINE
RECEPTOR A2A)		6yor IGG H CHAIN
(Homo
sapiens)		4 / 8
LEU H  81
GLU H  46
MET H  48
ILE H  93
1.57A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A3A_A_TEPA1434_1
(CHITINASE)		6yor IGG H CHAIN
IGG L CHAIN
(Homo
sapiens)		3 / 3
TRP H  33
THR L 100
TYR L 102
1.69A21.52
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EOH_A_TEPA402_1
(PYRIDOXAL KINASE)		6yor IGG H CHAIN
(Homo
sapiens)		4 / 5
SER B  25
GLY B  24
THR B   0
VAL B 108
1.21A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EOH_A_TEPA402_1
(PYRIDOXAL KINASE)		6yor IGG H CHAIN
(Homo
sapiens)		4 / 5
SER H  25
GLY H  24
THR H   0
VAL H 108
1.21A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EOH_A_TEPA402_1
(PYRIDOXAL KINASE)		6yor IGG L CHAIN
(Homo
sapiens)		4 / 5
SER C  83
GLY C  16
THR C  80
VAL C  13
1.54A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ROX_A_TEPA266_1
(APOLIPOPROTEIN
A-I-BINDING PROTEIN)		6yor IGG H CHAIN
(Homo
sapiens)		4 / 8
ALA H  92
ASP H  90
LEU H  86
LEU H  81
1.11A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EOH_A_TEPA402_1
(PYRIDOXAL KINASE)		6yor IGG H CHAIN
(Homo
sapiens)		4 / 5
SER H 207
GLY H 122
THR H 155
VAL H 146
1.14A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A3A_B_TEPB2434_1
(CHITINASE)		6yor IGG H CHAIN
IGG L CHAIN
(Homo
sapiens)		3 / 3
TRP B  33
THR C 100
TYR C 102
1.77A21.52
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ROX_A_TEPA266_1
(APOLIPOPROTEIN
A-I-BINDING PROTEIN)		6yor IGG L CHAIN
(Homo
sapiens)		5 / 8
ALA C  90
VAL C  89
ASP C  88
LEU C  84
LEU C  79
1.50A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A3A_A_TEPA1434_1
(CHITINASE)		6yor IGG H CHAIN
IGG L CHAIN
(Homo
sapiens)		3 / 3
TRP B  33
THR C 100
TYR C 102
1.69A21.52
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A3A_B_TEPB2434_1
(CHITINASE)		6yor IGG H CHAIN
IGG L CHAIN
(Homo
sapiens)		3 / 3
TRP H  33
THR L 100
TYR L 102
1.77A21.52
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EOH_A_TEPA402_1
(PYRIDOXAL KINASE)		6yor IGG L CHAIN
(Homo
sapiens)		4 / 5
SER L  83
GLY L  16
THR L  80
VAL L  13
1.54A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EOH_A_TEPA402_1
(PYRIDOXAL KINASE)		6yor IGG H CHAIN
(Homo
sapiens)		4 / 5
SER B 207
GLY B 122
THR B 155
VAL B 146
1.14A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ROX_A_TEPA266_1
(APOLIPOPROTEIN
A-I-BINDING PROTEIN)		6yor IGG H CHAIN
(Homo
sapiens)		4 / 8
ALA B  92
VAL B 115
ASP B  90
LEU B  18
1.35A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ROX_A_TEPA266_1
(APOLIPOPROTEIN
A-I-BINDING PROTEIN)		6yor IGG H CHAIN
(Homo
sapiens)		4 / 8
ALA H  92
VAL H 115
ASP H  90
LEU H  18
1.36A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ROX_A_TEPA266_1
(APOLIPOPROTEIN
A-I-BINDING PROTEIN)		6yor IGG L CHAIN
(Homo
sapiens)		4 / 8
ALA L  90
VAL L  89
ASP L  88
LEU L  11
1.41A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MZJ_A_TEPA2401_1
(ADENOSINE RECEPTOR
A2A,SOLUBLE
CYTOCHROME
B562,ADENOSINE
RECEPTOR A2A)		6yor IGG H CHAIN
(Homo
sapiens)		4 / 8
LEU B  81
GLU B  46
MET B  48
ILE B  93
1.57A
None