Ligand ID: THR


Drugbank ID:
DB00156
(L-Threonine)


Indication:
L-Threonine makes up collagen, elastin, and enamel protein. It aids proper fat metabolism in the liver, helps the digestive and intestinal tracts function more smoothly, and assists in metabolism and assimilation.

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

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'THR' 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.
2DTJ_B_THRB402_0
(ASPARTOKINASE)		1q2w 3C-LIKE PROTEASE
(SARSr-CoV)		5 / 9
ASP B 295
GLY A 124
ALA B   7
GLN B 127
THR B 111
1.75A21.20
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.
2DTJ_B_THRB402_0
(ASPARTOKINASE)		1wof 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 9
ASP A 295
GLY B 124
ALA A   7
GLN A 127
THR A 111
1.66A21.20
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.
2DTJ_B_THRB402_0
(ASPARTOKINASE)		1wyy E2 GLYCOPROTEIN
(SARSr-CoV)		5 / 9
ILE A1164
ILE B1164
ASP B1165
GLY A 928
GLN B1161
1.70A25.15
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.
2DTJ_B_THRB402_0
(ASPARTOKINASE)		1z1j 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 9
ASP A 295
GLY B1124
ALA A   7
GLN A 127
THR A 111
1.53A21.20
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.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		1z1j 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 8
ASP A 295
GLY B1124
ALA A   7
GLN A 127
THR A 111
1.56A21.20
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.
2DTJ_B_THRB402_0
(ASPARTOKINASE)		2a5k 3C-LIKE PEPTIDASE
(SARSr-CoV)		5 / 9
ASP B 295
GLY A 124
ALA B   7
GLN B 127
THR B 111
1.54A21.20
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.
5N9X_A_THRA601_0
(ADENYLATION DOMAIN)		2acf REPLICASE
POLYPROTEIN 1AB
(SARS-COV
Tor2)		4 / 7
PHE B 314
GLY B 230
GLY B 228
HIS B 227
1.27A15.51
GOL  B1004 (-4.5A)
None
GOL  B1004 (-3.6A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		2ahm REPLICASE
POLYPROTEIN 1AB,
HEAVY CHAIN
REPLICASE
POLYPROTEIN 1AB,
LIGHT CHAIN
(SARSr-CoV)		4 / 8
GLY F 118
ALA F 115
ASN B  74
ILE B  73
0.90A23.50
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.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		2amd 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 8
ASP A 295
GLY B 124
ALA A   7
GLN A 127
THR A 111
1.66A21.20
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.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		2bx4 3C-LIKE PROTEINASE
(SARS-COV
Sin2774)		4 / 8
ASP A 295
GLY A 109
ALA A 129
GLN A 127
1.11A21.20
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.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		2cjr NUCLEOCAPSID PROTEIN
(SARS-COV
TW1)		4 / 8
ASP C 359
GLY C 288
ASN C 286
ILE D 321
1.05A19.66
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.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		2dd8 IGG LIGHT CHAIN
(Homo
sapiens)		4 / 8
ASP L 139
ALA L 175
THR L 115
ASN L 170
1.12A22.69
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.
5N9X_A_THRA601_0
(ADENYLATION DOMAIN)		2fav REPLICASE
POLYPROTEIN 1AB
(PP1AB) (ORF1AB)
(SARSr-CoV)		4 / 7
PHE C 133
GLY C  49
GLY C  47
HIS C  46
1.26A16.31
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.
5N9X_A_THRA601_0
(ADENYLATION DOMAIN)		2gdt NSP1 (EC 3.4.22.-)
P65 HOMOLOG
LEADER PROTEIN
(SARSr)		4 / 7
ASP A  64
GLY A  71
GLY A  71
HIS A  70
0.88A13.52
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.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		2gib NUCLEOCAPSID PROTEIN
(SARSr-CoV)		4 / 8
ASP A 359
GLY A 288
ASN A 286
ILE B 321
1.16A16.27
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.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		2gtb 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 8
ASP A 295
GLY A 109
ALA A 129
GLN A 127
1.17A21.20
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.
5N9X_A_THRA601_0
(ADENYLATION DOMAIN)		2h85 PUTATIVE ORF1AB
POLYPROTEIN
(SARSr-CoV)		4 / 7
PHE A 123
PHE A 134
GLY A 140
GLY A 184
1.54A20.59
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.
2DTJ_B_THRB402_0
(ASPARTOKINASE)		2h85 PUTATIVE ORF1AB
POLYPROTEIN
(SARSr-CoV)		5 / 9
ILE A  26
ILE A  42
ASP A  39
GLU A  41
THR A  33
1.61A19.83
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.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		2mm4 ENVELOPE SMALL
MEMBRANE PROTEIN
(SARSr)		4 / 8
GLY A  10
GLU A   8
ASN A  15
ILE A  13
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.
2DTJ_B_THRB402_0
(ASPARTOKINASE)		2op9 REPLICASE
POLYPROTEIN 1AB
(PP1AB, ORF1AB)
3C-LIKE PROTEINASE
(3CL-PRO, 3CLP)
(SARSr-CoV)		5 / 9
ASP B 295
GLY A 124
ALA B   7
GLN B 127
THR B 111
1.68A21.20
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.
5N9X_A_THRA601_0
(ADENYLATION DOMAIN)		2ozk URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		4 / 7
PHE D 123
PHE D 134
GLY D 140
GLY D 184
1.51A20.44
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.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		2q6g REPLICASE
POLYPROTEIN 1AB
(SARS-COV
BJ01)		4 / 8
ASP B 295
GLY B 109
ALA B 129
GLN B 127
1.16A21.20
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.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		2qiq REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 8
ASP A 295
GLY A 109
ALA A 129
GLN A 127
1.17A21.20
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.
5N9X_A_THRA601_0
(ADENYLATION DOMAIN)		2rhb URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		4 / 7
PHE C 123
PHE C 134
GLY C 140
GLY C 184
1.58A22.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		2vj1 MAIN PROTEINASE
(SARSr-CoV)		4 / 8
ASP B 295
GLY B 109
ALA B 129
GLN B 127
1.17A22.81
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.
2DTJ_B_THRB402_0
(ASPARTOKINASE)		2w2g NSP3
(SARSr-CoV)		5 / 9
ASN A 409
ILE A 484
ILE A 454
ASP A 453
GLU A 432
1.65A20.08
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.
5N9X_A_THRA601_0
(ADENYLATION DOMAIN)		2xyq PUTATIVE 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		4 / 7
PHE A 205
ASP A 130
GLY A  81
HIS A  69
1.56A19.96
None
SAH  A1293 (-3.7A)
SAH  A1293 (-3.6A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5N9X_A_THRA601_0
(ADENYLATION DOMAIN)		2xyr PUTATIVE 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		4 / 7
PHE A 205
ASP A 130
GLY A  81
HIS A  69
1.57A19.89
None
SFG  A1298 (-3.6A)
SFG  A1298 (-3.5A)
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.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		3aw1 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 8
ASP A 295
GLY B 124
ALA A   7
GLN A 127
THR A 111
1.68A21.20
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.
5N9X_A_THRA601_0
(ADENYLATION DOMAIN)		3d0h ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		4 / 7
PHE A 525
GLY A 399
GLY A 395
HIS A 401
1.56A20.64
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.
2DTJ_B_THRB402_0
(ASPARTOKINASE)		3e91 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 9
ASP B 295
GLY A 124
ALA B   7
GLN B 127
THR B 111
1.70A21.20
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.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		3ea7 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 8
ASP B 295
GLY B 109
ALA B 129
GLN B 127
1.00A21.20
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.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		3eaj 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 8
ASP B 295
GLY B 109
ALA B 129
GLN B 127
1.13A21.52
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.
2DTJ_B_THRB402_0
(ASPARTOKINASE)		3f9f 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 9
ASP B 295
GLY A 124
ALA B   7
GLN B 127
THR B 111
1.75A21.20
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.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		3f9g 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 8
ASP B 295
GLY B 109
ALA B 129
GLN B 127
1.16A21.20
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.
2DTJ_B_THRB402_0
(ASPARTOKINASE)		3iwm 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 9
ASP D 295
GLY A 124
ALA B   7
GLN B 127
THR B 111
1.51A21.20
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.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		3m3s 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 8
ASP B 295
GLY B 109
ALA B 129
GLN B 127
1.09A21.52
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.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		3m3v 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 8
ASP A 295
GLY A 109
ALA A 129
GLN A 127
1.07A21.20
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.
5N9X_A_THRA601_0
(ADENYLATION DOMAIN)		3r24 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		4 / 7
PHE A 205
ASP A 130
GLY A  81
HIS A  69
1.59A19.59
None
SAM  A 302 (-3.6A)
SAM  A 302 (-3.4A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5N9X_A_THRA601_0
(ADENYLATION DOMAIN)		3sck ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		4 / 7
ASP B 350
GLY B 561
GLY B 395
HIS B 401
1.61A20.50
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.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		3sna 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 8
ASP A 295
GLY A 109
ALA A 129
GLN A 127
1.15A21.20
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.
2DTJ_B_THRB402_0
(ASPARTOKINASE)		4hi3 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 9
ASP B 295
GLY A 124
ALA B   7
GLN B 127
THR B 111
1.67A20.57
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.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		4hi3 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 8
ASP B 295
GLY A 124
ALA B   7
GLN B 127
THR B 111
1.68A20.57
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.
2DTJ_B_THRB402_0
(ASPARTOKINASE)		4tww 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 9
ASP B 295
GLY A 124
ALA B   7
GLN B 127
THR B 111
1.42A21.20
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.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		4wme MERS-COV 3CL
PROTEASE
(MERS-CoV)		4 / 8
ALA B 213
THR B 258
ASN B 297
ILE B 300
1.32A20.39
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.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		4wme MERS-COV 3CL
PROTEASE
(MERS-CoV)		4 / 8
ALA D 213
THR D 258
ASN D 297
ILE D 300
1.23A20.39
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.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		4wme MERS-COV 3CL
PROTEASE
(MERS-CoV)		4 / 8
GLY B 173
GLU B 169
ALA B 171
GLN B 197
1.25A20.39
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.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		4wme MERS-COV 3CL
PROTEASE
(MERS-CoV)		4 / 8
GLY A 173
GLU A 169
ALA A 171
GLN A 197
1.03A20.39
None
EDO  A 404 (-3.7A)
EDO  A 404 (-4.9A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		4wme MERS-COV 3CL
PROTEASE
(MERS-CoV)		4 / 8
ALA A 213
THR A 258
ASN A 297
ILE A 300
1.32A20.39
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.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		4wme MERS-COV 3CL
PROTEASE
(MERS-CoV)		4 / 8
GLU D 169
ALA D 171
GLN D 197
THR D 138
1.21A20.39
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.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		4wme MERS-COV 3CL
PROTEASE
(MERS-CoV)		4 / 8
ALA C 213
THR C 258
ASN C 297
ILE C 300
1.34A20.39
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.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		5b6o 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 8
ASP A 295
GLY A 109
ALA A 129
GLN A 127
1.13A20.55
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.
2DTJ_B_THRB402_0
(ASPARTOKINASE)		5b6o 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 9
ASP B 295
GLY A 124
ALA B   7
GLN B 127
THR B 111
1.65A20.55
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.
5N9X_A_THRA601_0
(ADENYLATION DOMAIN)		5c8s GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		4 / 7
ASP B  41
PHE B  33
GLY B  44
HIS B  19
1.43A23.16
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5N9X_A_THRA601_0
(ADENYLATION DOMAIN)		5c8s GUANINE-N7
METHYLTRANSFERASE
NSP10
(SARSr-CoV)		4 / 7
ASP A  29
PHE A  16
GLY B 202
GLY B  68
1.50A12.22
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.
5N9X_A_THRA601_0
(ADENYLATION DOMAIN)		5c8u GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		4 / 7
ASP B  41
PHE B  33
GLY B  44
HIS B  19
1.44A22.71
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.
5N9X_A_THRA601_0
(ADENYLATION DOMAIN)		5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)		4 / 7
ASP N  29
PHE N  16
GLY B 202
GLY B  68
1.56A12.93
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5N9X_A_THRA601_0
(ADENYLATION DOMAIN)		5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)		4 / 7
ASP D  41
PHE D  33
GLY D  44
HIS D  19
1.45A22.55
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.
5N9X_A_THRA601_0
(ADENYLATION DOMAIN)		5tl7 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 7
ASP B  38
PHE B  56
GLY B  53
HIS B  51
1.26A20.80
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5N9X_A_THRA601_0
(ADENYLATION DOMAIN)		5wrg SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 7
ASP B 727
PHE B 837
GLY A 536
GLY A 534
1.48A18.10
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.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		5x4r S PROTEIN
(MERS-CoV)		4 / 8
ASP A 272
GLY A  55
ALA A  53
ILE A 333
1.14A20.62
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.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		4 / 8
GLY A1075
GLU A1074
THR A 894
ASN A1101
1.08A8.96
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DTJ_B_THRB402_0
(ASPARTOKINASE)		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		5 / 9
ILE C 687
ILE A 878
GLY A 862
ALA A 866
GLN A 877
1.37A8.96
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5N9X_A_THRA601_0
(ADENYLATION DOMAIN)		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		4 / 7
ASP B 727
PHE B 837
GLY A 536
GLY A 534
1.37A18.12
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.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		5x5c S PROTEIN
(MERS-CoV)		4 / 8
ASP A 272
GLY A  55
ALA A  53
ILE A 333
1.13A9.07
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.
5N9X_A_THRA601_0
(ADENYLATION DOMAIN)		5x5f S PROTEIN
(MERS-CoV)		4 / 7
ASP B 633
PHE C 327
GLY C 331
GLY B 624
1.56A17.81
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.
2DTJ_B_THRB402_0
(ASPARTOKINASE)		5xlr SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 9
ILE A 687
GLY C 862
ALA C 866
GLN C 877
THR A 693
1.54A9.31
ILE  A 687 ( 0.7A)
GLY  C 862 ( 0.0A)
ALA  C 866 ( 0.0A)
GLN  C 877 ( 0.6A)
THR  A 693 ( 0.8A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		5xlr SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 8
GLY C 862
ALA C 866
GLN C 877
THR A 693
ILE A 687
1.56A9.31
GLY  C 862 ( 0.0A)
ALA  C 866 ( 0.0A)
GLN  C 877 ( 0.6A)
THR  A 693 ( 0.8A)
ILE  A 687 ( 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.
2DTJ_B_THRB402_0
(ASPARTOKINASE)		6acd SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 9
ILE A 687
ILE C 878
GLY C 862
ALA C 875
GLN C 877
1.47A9.31
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.
5N9X_A_THRA601_0
(ADENYLATION DOMAIN)		6acg SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 7
ASP A 572
PHE A 558
GLY A 534
GLY A 536
1.58A18.18
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.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		6acj SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 8
GLY C 862
ALA C 875
GLN C 877
THR A 693
ILE A 687
1.61A9.31
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.
5N9X_A_THRA601_0
(ADENYLATION DOMAIN)		6crv SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 7
ASP B 727
PHE B 837
GLY A 536
GLY A 534
1.35A18.50
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.
5N9X_A_THRA601_0
(ADENYLATION DOMAIN)		6crx SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 7
ASP C 727
PHE C 837
GLY B 536
GLY B 534
1.32A19.13
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.
2DTJ_B_THRB402_0
(ASPARTOKINASE)		6cs1 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 9
ILE A 687
ILE A 694
GLY B 867
GLN B 877
THR A 693
1.44A9.06
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.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		6jyt HELICASE
(SARSr-CoV)		4 / 8
ASP B 374
ALA B 379
THR B 307
ILE B 376
1.12A13.41
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.
5N9X_A_THRA601_0
(ADENYLATION DOMAIN)		6lzg ACE2
(Homo
sapiens)		4 / 7
PHE A 525
GLY A 399
GLY A 395
HIS A 401
1.47A21.25
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5N9X_A_THRA601_0
(ADENYLATION DOMAIN)		6m0j ACE2
(Homo
sapiens)		4 / 7
PHE A 525
GLY A 399
GLY A 395
HIS A 401
1.52A21.10
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.
5N9X_A_THRA601_0
(ADENYLATION DOMAIN)		6m18 SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		4 / 7
PHE A  48
PHE A 283
GLY A 284
GLY A 438
1.44A21.04
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DTJ_B_THRB402_0
(ASPARTOKINASE)		6m18 SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		5 / 9
ILE A 187
ILE A 183
ASP A 189
GLY A 478
THR A 185
1.68A12.69
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.
5N9X_A_THRA601_0
(ADENYLATION DOMAIN)		6nb6 SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 7
ASP A 727
PHE A 837
GLY B 536
GLY B 534
1.23A18.42
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		6nur NSP7
NSP8
(SARSr)		4 / 8
GLY D 113
ALA D 110
ASN C  69
ILE C  68
1.44A24.02
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		6nur NSP12
(SARSr-CoV)		4 / 8
ASP A 684
GLY A 559
ALA A 558
THR A 687
1.08A12.67
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.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		6vw1 ACE2
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		4 / 8
ASP B  38
GLY B 352
GLU B  37
GLN F 498
1.13A13.30
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.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		6w41 CR3022 FAB HEAVY
CHAIN
(Homo
sapiens)		4 / 8
GLY H 157
ALA H 158
GLN H 192
THR H 193
1.78A20.00
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.
5N9X_A_THRA601_0
(ADENYLATION DOMAIN)		6yla HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		4 / 7
PHE B  29
GLY B  26
GLY B  28
LYS L  45
1.56A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5N9X_A_THRA601_0
(ADENYLATION DOMAIN)		6yla HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		4 / 7
PHE H  29
GLY H  26
GLY H  28
LYS C  45
1.53A
None