Ligand ID: AQ4


Drugbank ID:
DB00530
(Erlotinib)


Indication:
For the treatment of patients with locally advanced or metastatic non-small cell lung cancer after failure of at least one prior chemotherapy regimen. Also for use, in combination with gemcitabine, as the first-line treatment of patients with locally advanced, unresectable or metastatic pancreatic cancer.

Get human targets for AQ4 in PDB (known and potential targets)

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'AQ4' 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.
1M17_A_AQ4A999_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		1ssk NUCLEOCAPSID PROTEIN
(SARSr-CoV)		5 / 12
LEU A  99
ALA A  97
THR A  93
LEU A  91
GLY A 102
1.48A18.69
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.
6DWN_A_AQ4A602_0
(CYTOCHROME P450 1A1)		1uk3 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
LEU B 141
ASN A 214
PHE A   3
PHE A 291
ILE A 259
1.50A22.49
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWN_A_AQ4A602_0
(CYTOCHROME P450 1A1)		1wnc E2 GLYCOPROTEIN
(SARSr-CoV)		5 / 12
ASN F 935
ASN B 935
ASN F1159
GLY F 928
ASP F 932
1.02A12.91
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.
6DWN_A_AQ4A602_1
(CYTOCHROME P450 1A1)		1wnc E2 GLYCOPROTEIN
(SARSr-CoV)		4 / 5
ILE E 913
SER E1177
ALA F 912
LEU F1174
1.48A12.91
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.
4HJO_A_AQ4A1001_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		1wnc E2 GLYCOPROTEIN
(SARSr)		5 / 12
LEU C 930
ALA C 926
THR C 923
LEU B 927
THR B 923
1.35A17.48
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.
1M17_A_AQ4A999_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		1wnc E2 GLYCOPROTEIN
(SARSr-CoV)		6 / 12
LEU B 930
ALA B 926
LEU B1167
THR B 923
GLY C 928
THR C 923
1.45A17.48
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.
4HJO_A_AQ4A1001_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		1wnc E2 GLYCOPROTEIN
(SARSr)		5 / 12
LEU B 930
ALA B 926
THR B 923
GLY C 928
THR C 923
1.33A17.48
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.
4HJO_A_AQ4A1001_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		1wnc E2 GLYCOPROTEIN
(SARSr)		5 / 12
LEU C 930
ALA C 926
THR C 923
GLY A 928
THR A 923
1.41A17.48
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.
6DWN_A_AQ4A602_0
(CYTOCHROME P450 1A1)		1wyy E2 GLYCOPROTEIN
(SARSr-CoV)		5 / 12
SER B1151
ASN B 951
ASP B1149
GLY B1148
ILE B1153
1.55A14.97
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.
6DWN_A_AQ4A602_0
(CYTOCHROME P450 1A1)		1x7q BETA-2-MICROGLOBULIN
HLA, A-11
(Homo
sapiens)		5 / 12
SER B  55
ASN A  66
GLY A  26
PHE A  33
ILE A  23
1.45A15.08
GOL  A5003 ( 4.6A)
None
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWN_B_AQ4B602_0
(CYTOCHROME P450 1A1)		1zv8 E2 GLYCOPROTEIN
(SARSr-CoV)		5 / 12
ILE K  13
PHE K   9
LEU J  33
ASN K  10
ILE I  13
1.58A7.84
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.
6DWN_A_AQ4A602_1
(CYTOCHROME P450 1A1)		1zv8 E2 GLYCOPROTEIN
(SARSr-CoV)		4 / 5
ILE G  13
SER L  29
ALA I  12
LEU H  26
1.41A7.84
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.
1M17_A_AQ4A999_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		1zv8 E2 GLYCOPROTEIN
(SARSr-CoV)		6 / 12
LEU E  30
ALA E  26
LEU D  19
THR E  23
GLY A  28
THR A  23
1.50A13.72
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4HJO_A_AQ4A1001_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		1zv8 E2 GLYCOPROTEIN
(SARSr-CoV)		5 / 12
LEU C  30
ALA C  26
THR C  23
GLY E  28
THR E  23
1.36A12.92
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1M17_A_AQ4A999_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		2a5k 3C-LIKE PEPTIDASE
(SARSr-CoV)		5 / 12
LEU B  57
LEU B  86
GLY B 146
LEU B  27
THR B  25
1.46A21.82
None
None
None
AZP  B 307 ( 4.4A)
AZP  B 307 (-3.5A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWN_D_AQ4D602_0
(CYTOCHROME P450 1A1)		2acf REPLICASE
POLYPROTEIN 1AB
(SARS-COV
Tor2)		5 / 12
ILE A 205
GLY A 312
ALA A 311
PHE A 314
ILE A 335
1.46A16.81
None
GOL  A1010 ( 4.8A)
GOL  A1010 ( 4.2A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWN_C_AQ4C602_1
(CYTOCHROME P450 1A1)		2acf REPLICASE
POLYPROTEIN 1AB
(SARS-COV
Tor2)		3 / 3
SER A 321
SER A 310
ALA A 293
1.03A16.81
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.
6DWN_D_AQ4D602_0
(CYTOCHROME P450 1A1)		2ahm REPLICASE
POLYPROTEIN 1AB,
LIGHT CHAIN
(SARSr-CoV)		5 / 12
ILE D  73
ASP D  72
GLY D  69
ALA D  70
LEU D  64
1.29A14.02
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.
6DWN_C_AQ4C602_1
(CYTOCHROME P450 1A1)		2ahm REPLICASE
POLYPROTEIN 1AB,
HEAVY CHAIN
REPLICASE
POLYPROTEIN 1AB,
LIGHT CHAIN
(SARSr-CoV)		3 / 3
SER H  12
SER H  13
ALA C  53
0.89A17.43
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWN_D_AQ4D602_0
(CYTOCHROME P450 1A1)		2ahm REPLICASE
POLYPROTEIN 1AB,
HEAVY CHAIN
REPLICASE
POLYPROTEIN 1AB,
LIGHT CHAIN
(SARSr-CoV)		5 / 12
ASP E 117
GLY E 118
ALA A  70
ILE E 112
LEU A  65
1.41A17.43
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4HJO_A_AQ4A1001_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		2ajf ACE2
(Homo
sapiens)		5 / 12
LEU A 266
ALA A 251
GLY A 268
LEU A 278
THR A 282
1.53A19.57
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.
6DWN_B_AQ4B602_1
(CYTOCHROME P450 1A1)		2ajf ACE2
(Homo
sapiens)		5 / 7
SER A 409
PHE A 315
ALA A 403
VAL A 573
LEU A 554
1.54A21.27
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.
6DWN_A_AQ4A602_1
(CYTOCHROME P450 1A1)		2ajf ACE2
(Homo
sapiens)		4 / 5
ILE B 513
SER B 511
ALA B 403
LEU B 520
1.51A21.27
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.
6DWN_C_AQ4C602_1
(CYTOCHROME P450 1A1)		2ajf ACE2
(Homo
sapiens)		3 / 3
SER A  47
SER A  44
ALA A 348
1.19A21.27
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.
6DWN_C_AQ4C602_1
(CYTOCHROME P450 1A1)		2amd 3C-LIKE PROTEINASE
(SARSr-CoV)		3 / 3
SER A 147
SER A 144
ALA A 173
1.06A21.14
None
9IN  A1001 (-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.
6DWN_B_AQ4B602_0
(CYTOCHROME P450 1A1)		2amq 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
ILE A 152
SER A 158
PHE A   8
ASP A 153
ASP A 295
1.68A21.14
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.
1M17_A_AQ4A999_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		2beq SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
LEU B 920
THR B 923
GLY A 928
LEU A 927
THR C 923
1.47A8.90
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4HJO_A_AQ4A1001_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		2beq SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
LEU B 930
ALA B 926
THR B 923
GLY C 928
THR C 923
1.35A8.42
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.
6DWN_A_AQ4A602_1
(CYTOCHROME P450 1A1)		2beq SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 5
ILE C 916
SER C 919
ALA D1172
LEU D1179
1.37A5.56
ACE  C 913 ( 4.1A)
None
None
ACE  B 913 ( 4.8A)
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.
6DWN_A_AQ4A602_1
(CYTOCHROME P450 1A1)		2cjr NUCLEOCAPSID PROTEIN
(SARS-COV
TW1)		4 / 5
ILE G 321
SER G 319
ALA H 306
LEU H 353
1.38A13.44
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.
6DWN_C_AQ4C602_1
(CYTOCHROME P450 1A1)		2cjr NUCLEOCAPSID PROTEIN
(SARS-COV
TW1)		3 / 3
SER C 311
SER C 313
ALA D 255
0.74A13.44
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.
6DWN_C_AQ4C602_0
(CYTOCHROME P450 1A1)		2cjr NUCLEOCAPSID PROTEIN
(SARS-COV
TW1)		5 / 12
ILE F 321
ASN E 286
GLY F 317
ILE E 305
LEU E 292
1.39A13.44
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.
6DWN_B_AQ4B602_0
(CYTOCHROME P450 1A1)		2cjr NUCLEOCAPSID PROTEIN
(SARS-COV
TW1)		5 / 12
ILE F 321
ASN E 286
PHE E 364
ASP E 289
ILE E 305
1.69A13.44
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.
1M17_A_AQ4A999_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		2d2d 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
LEU B  57
LEU B  86
GLY B 146
LEU B  27
THR B  25
1.43A22.37
None
None
None
ENB  B1145 (-4.2A)
ENB  B1145 ( 4.7A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWN_A_AQ4A602_0
(CYTOCHROME P450 1A1)		2dd8 IGG HEAVY CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARSr-CoV)		5 / 12
ASN S 435
PHE S 483
ASP S 393
GLY S 391
ILE H  56
1.51A17.43
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1M17_A_AQ4A999_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		2dd8 IGG HEAVY CHAIN
IGG LIGHT CHAIN
(Homo
sapiens)		5 / 12
LEU L 133
ALA L 131
LEU L 182
GLY L 159
ASP H 144
1.49A18.13
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.
6DWN_D_AQ4D602_0
(CYTOCHROME P450 1A1)		2fav REPLICASE
POLYPROTEIN 1AB
(PP1AB) (ORF1AB)
(SARSr-CoV)		5 / 12
SER C  66
ASN B 100
ALA C  40
PHE C 133
ILE C  70
1.38A17.58
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWN_A_AQ4A602_0
(CYTOCHROME P450 1A1)		2fav REPLICASE
POLYPROTEIN 1AB
(PP1AB) (ORF1AB)
(SARSr-CoV)		5 / 12
ASN C 100
ASN C  41
ASN B 102
GLY C 131
ILE C  24
1.36A17.58
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWN_C_AQ4C602_1
(CYTOCHROME P450 1A1)		2fav REPLICASE
POLYPROTEIN 1AB
(PP1AB) (ORF1AB)
(SARSr-CoV)		3 / 3
SER A 140
SER A 129
ALA A 112
1.01A17.58
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1M17_A_AQ4A999_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		2fe8 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
LEU C 200
LEU B 163
GLY B 272
THR B 275
ASP B 287
1.46A21.14
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.
6DWN_D_AQ4D602_0
(CYTOCHROME P450 1A1)		2fe8 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
ASP B  41
GLY B  39
ALA B  40
ASP B  38
ILE B  45
1.42A20.89
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4HJO_A_AQ4A1001_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		2ghw ANTI-SCFV ANTIBODY,
80R
(Homo
sapiens)		5 / 12
LEU D 145
VAL D 236
ALA D 151
THR D 206
GLY D 148
1.59A20.29
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.
6DWN_A_AQ4A602_1
(CYTOCHROME P450 1A1)		2gib NUCLEOCAPSID PROTEIN
(SARSr-CoV)		4 / 5
ILE B 321
SER B 319
ALA A 337
LEU A 340
1.55A11.41
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.
4HJO_A_AQ4A1001_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		2gt8 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
LEU A  30
VAL A 148
CYH A  38
LEU A  86
THR A 175
1.62A20.78
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.
6DWN_B_AQ4B602_0
(CYTOCHROME P450 1A1)		2gtb 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
ILE A 152
SER A 158
PHE A   8
ASP A 153
ASP A 295
1.65A22.49
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWN_C_AQ4C602_0
(CYTOCHROME P450 1A1)		2h85 PUTATIVE ORF1AB
POLYPROTEIN
(SARSr-CoV)		5 / 12
ILE A 143
PHE A 123
GLY A 140
ILE A  71
LEU A  72
1.42A21.15
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.
6DWN_D_AQ4D602_0
(CYTOCHROME P450 1A1)		2h85 PUTATIVE ORF1AB
POLYPROTEIN
(SARSr-CoV)		5 / 12
ILE A 143
PHE A 123
GLY A 140
ILE A  71
LEU A  72
1.46A21.15
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.
1M17_A_AQ4A999_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		2liz 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
LEU A 202
ALA A 206
GLU A 288
MET A 264
LEU A 268
1.50A15.41
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.
6DWN_D_AQ4D602_0
(CYTOCHROME P450 1A1)		2ozk URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		5 / 12
ILE D 143
PHE D 123
GLY D 140
ILE D  71
LEU D  72
1.42A21.14
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.
6DWN_C_AQ4C602_0
(CYTOCHROME P450 1A1)		2ozk URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		5 / 12
ILE D 143
PHE D 123
GLY D 140
ILE D  71
LEU D  72
1.39A21.14
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.
4HJO_A_AQ4A1001_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		2pwx 3C-LIKE PROTEINASE
(SARS-COV
BJ01)		5 / 12
LEU A 167
VAL A 171
LYS A 137
GLY A 195
ASP A 289
1.42A21.27
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.
6DWN_B_AQ4B602_0
(CYTOCHROME P450 1A1)		2q6g REPLICASE
POLYPROTEIN 1AB
(SARS-COV
BJ01)		5 / 12
ILE A 152
SER A 158
PHE A   8
ASP A 153
ASP A 295
1.72A21.94
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.
6DWN_B_AQ4B602_0
(CYTOCHROME P450 1A1)		2qc2 3C-LIKE PROTEINASE
(-)		5 / 12
ILE A 152
SER A 158
PHE A   8
ASP A 153
ASP A 295
1.71A20.78
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.
4HJO_A_AQ4A1001_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		2qcy 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
LEU A 167
VAL A 171
LYS A 137
GLY A 195
ASP A 289
1.41A20.99
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWN_C_AQ4C602_0
(CYTOCHROME P450 1A1)		2rhb URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		5 / 12
ILE E 143
PHE E 123
GLY E 140
ILE E  71
LEU E  72
1.40A21.14
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.
1M17_A_AQ4A999_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		2vj1 MAIN PROTEINASE
(SARSr-CoV)		5 / 12
LEU B  57
LEU B  86
GLY B 146
LEU B  27
THR B  25
1.46A21.43
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWN_C_AQ4C602_0
(CYTOCHROME P450 1A1)		2xyq PUTATIVE 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		5 / 12
ILE A  68
PHE A  70
GLY A  71
ILE A 167
LEU A 153
1.46A19.60
None
None
SAH  A1293 (-3.8A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWN_D_AQ4D602_0
(CYTOCHROME P450 1A1)		2xyq PUTATIVE 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		5 / 12
ILE A  68
SER A  98
PHE A 156
ALA A 116
LEU A 153
1.36A19.60
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.
6DWN_D_AQ4D602_0
(CYTOCHROME P450 1A1)		2xyr PUTATIVE 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		5 / 12
SER A 129
GLY A  73
ALA A  72
ILE A 128
LEU A  85
1.45A19.96
None
SFG  A1298 (-4.3A)
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.
6DWN_C_AQ4C602_0
(CYTOCHROME P450 1A1)		2xyv PUTATIVE 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		5 / 12
ILE A  68
PHE A  70
GLY A  71
ILE A 167
LEU A 153
1.45A19.96
None
None
SAH  A1300 (-3.8A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWN_C_AQ4C602_1
(CYTOCHROME P450 1A1)		2z9j 3C-LIKE PROTEINASE
(SARSr-CoV)		3 / 3
SER B   1
SER A 139
ALA B 210
0.77A22.49
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1M17_A_AQ4A999_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		3aw1 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
LEU B  57
LEU B  86
GLY B 146
LEU B  27
THR B  25
1.46A22.22
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.
6DWN_C_AQ4C602_0
(CYTOCHROME P450 1A1)		3bgf F26G19 FAB
(Mus
musculus)		5 / 12
ILE H  37
PHE L  98
GLY H  44
ILE L  44
LEU L  36
1.44A18.38
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.
6DWN_D_AQ4D602_0
(CYTOCHROME P450 1A1)		3bgf F26G19 FAB
(Mus
musculus)		5 / 12
ILE H  37
PHE L  98
GLY H  44
ILE L  44
LEU L  36
1.38A18.38
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.
6DWN_B_AQ4B602_1
(CYTOCHROME P450 1A1)		3d0h ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 7
PHE A 314
GLY A 405
ALA A 403
VAL A 573
LEU A 554
1.61A21.27
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.
6DWN_A_AQ4A602_1
(CYTOCHROME P450 1A1)		3d0h ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		4 / 5
ILE B 513
SER B 511
ALA B 403
LEU B 520
1.48A21.27
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.
6DWN_C_AQ4C602_1
(CYTOCHROME P450 1A1)		3d0h ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		3 / 3
SER A 105
SER A 106
ALA A  71
0.98A21.27
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.
4HJO_A_AQ4A1001_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		3d0i ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 12
LEU A 266
ALA A 251
GLY A 268
LEU A 278
THR A 282
1.49A19.40
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWN_C_AQ4C602_1
(CYTOCHROME P450 1A1)		3e91 3C-LIKE PROTEINASE
(SARSr-CoV)		3 / 3
SER A   1
SER B 139
ALA A 210
0.90A22.49
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWN_B_AQ4B602_0
(CYTOCHROME P450 1A1)		3e91 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
ILE A 152
SER A 158
PHE A   8
ASP A 153
ASP A 295
1.69A22.49
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWN_D_AQ4D602_0
(CYTOCHROME P450 1A1)		3e9s NSP3
(SARSr-CoV)		6 / 12
PHE A  57
ASP A  41
GLY A  39
ALA A  40
ASP A  38
ILE A  45
1.29A21.05
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.
6DWN_B_AQ4B602_1
(CYTOCHROME P450 1A1)		3f9e 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 7
SER A  10
PHE A 150
GLY A  15
VAL A  36
LEU A  30
1.64A22.49
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWN_B_AQ4B602_1
(CYTOCHROME P450 1A1)		3iwm 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 7
ASN C 274
PHE A 223
ALA C 234
VAL A 204
LEU C 268
1.67A22.49
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4HJO_A_AQ4A1001_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		3iwm 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
LEU B 167
VAL B 171
ALA B 173
LYS B 137
ASP B 197
1.34A20.78
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.
6DWN_B_AQ4B602_0
(CYTOCHROME P450 1A1)		3m3s 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
ILE A 152
SER A 158
PHE A   8
ASP A 153
ASP A 295
1.71A22.49
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1M17_A_AQ4A999_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		3m3t 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
LEU A  57
LEU A  86
GLY A 146
LEU A  27
THR A  25
1.49A22.25
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.
6DWN_C_AQ4C602_0
(CYTOCHROME P450 1A1)		3mj5 REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		5 / 12
ILE B 223
ASN A 110
LEU A 163
ASP B 230
GLY B 228
1.38A21.05
None
None
GRM  A 801 (-4.6A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWN_D_AQ4D602_0
(CYTOCHROME P450 1A1)		3r24 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		5 / 12
SER A 129
GLY A  73
ALA A  72
ILE A 128
LEU A  85
1.46A20.04
None
SAM  A 302 (-4.1A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWN_C_AQ4C602_1
(CYTOCHROME P450 1A1)		3sck ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		3 / 3
SER A 113
SER A 109
ALA A 193
1.17A22.17
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.
6DWN_A_AQ4A602_1
(CYTOCHROME P450 1A1)		3sck ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		4 / 5
ILE B 513
SER B 511
ALA B 403
LEU B 520
1.55A22.17
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.
4HJO_A_AQ4A1001_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		3sck ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 12
LEU A 266
ALA A 251
GLY A 268
LEU A 278
THR A 282
1.45A19.90
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWN_B_AQ4B602_1
(CYTOCHROME P450 1A1)		3scl ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 7
PHE B 314
GLY B 405
ALA B 403
VAL B 573
LEU B 529
1.60A22.17
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.
4HJO_A_AQ4A1001_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		3sna 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
LEU A  30
VAL A 148
CYH A  38
LEU A  86
THR A 175
1.60A20.66
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.
6DWN_B_AQ4B602_0
(CYTOCHROME P450 1A1)		3sna 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
ILE A 152
SER A 158
PHE A   8
ASP A 153
ASP A 295
1.58A21.19
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.
6DWN_B_AQ4B602_1
(CYTOCHROME P450 1A1)		3to2 BETA-2-MICROGLOBULIN
MD3-C9 PEPTIDE
DERIVED FROM
MEMBRANE
GLYCOPROTEIN
MHC CLASS I ANTIGEN
(Homo
sapiens;
SARS-COV
TJF)		5 / 7
SER B  33
GLY A 120
ALA A 117
VAL C   9
LEU A  81
1.64A13.72
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWN_B_AQ4B602_0
(CYTOCHROME P450 1A1)		3vb6 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
ILE A 152
SER A 158
PHE A   8
ASP A 153
ASP A 295
1.57A22.49
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWN_D_AQ4D602_0
(CYTOCHROME P450 1A1)		4m0w REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		6 / 12
PHE A  57
ASP A  41
GLY A  39
ALA A  40
ASP A  38
ILE A  45
1.32A21.66
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.
1M17_A_AQ4A999_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		4mm3 UBIQUITIN
(Homo
sapiens)		5 / 12
LEU A  67
LYS A  27
THR A  22
LEU A  56
ASP A  52
1.38A13.03
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWN_A_AQ4A602_0
(CYTOCHROME P450 1A1)		4ovz PAPAIN-LIKE
PROTEINASE
(SARS-COV
Urbani)		5 / 12
PHE A  57
ASP A  41
GLY A  39
ASP A  38
ILE A  45
1.38A21.05
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.
1M17_A_AQ4A999_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		4ovz PAPAIN-LIKE
PROTEINASE
(SARS-COV
Urbani)		6 / 12
LEU A  81
LEU A  37
THR A  35
LEU A  59
LEU A  65
THR A  10
1.77A20.87
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWN_D_AQ4D602_0
(CYTOCHROME P450 1A1)		4ovz PAPAIN-LIKE
PROTEINASE
(SARS-COV
Urbani)		6 / 12
PHE A  57
ASP A  41
GLY A  39
ALA A  40
ASP A  38
ILE A  45
1.29A21.05
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.
4HJO_A_AQ4A1001_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		5c5n 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
LEU A  30
VAL A 148
CYH A  38
LEU A  86
THR A 175
1.62A21.05
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.
6DWN_C_AQ4C602_1
(CYTOCHROME P450 1A1)		5c8s GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		3 / 3
SER D 450
SER D 448
ALA D 488
1.22A21.45
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWN_B_AQ4B602_1
(CYTOCHROME P450 1A1)		5c8s GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		5 / 7
PHE B 436
GLY B 505
ALA B 504
VAL B 312
LEU B 508
1.40A21.45
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWN_B_AQ4B602_0
(CYTOCHROME P450 1A1)		5c8s GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		5 / 12
SER D 369
LEU D 439
ASN D 438
PHE D 436
ASP D 390
1.73A21.45
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWN_B_AQ4B602_1
(CYTOCHROME P450 1A1)		5c8t GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		5 / 7
PHE B 436
GLY B 505
ALA B 504
VAL B 312
LEU B 508
1.50A21.74
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWN_B_AQ4B602_0
(CYTOCHROME P450 1A1)		5c8t GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		5 / 12
SER D 369
LEU D 439
ASN D 438
PHE D 436
ASP D 390
1.70A21.74
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWN_C_AQ4C602_0
(CYTOCHROME P450 1A1)		5e6j POLYUBIQUITIN-B
REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV;
synthetic
construct)		5 / 12
ILE F  13
LEU A  17
PHE A   9
ILE F  30
LEU F  69
1.39A9.69
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.
6DWN_B_AQ4B602_1
(CYTOCHROME P450 1A1)		5e6j REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 7
SER D 181
ASN A  14
GLY A  53
VAL A  42
LEU A  37
1.33A21.66
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.
6DWN_D_AQ4D602_0
(CYTOCHROME P450 1A1)		5e6j POLYUBIQUITIN-B
REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV;
synthetic
construct)		5 / 12
GLY C  47
ALA C  46
PHE A  70
ILE C  61
LEU C  67
1.35A9.69
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.
6DWN_D_AQ4D602_0
(CYTOCHROME P450 1A1)		5e6j REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
ASP A  41
GLY A  39
ALA A  40
ASP A  38
ILE A  45
1.43A21.66
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.
6DWN_C_AQ4C602_1
(CYTOCHROME P450 1A1)		5f22 NSP8
NSP7
(SARSr-CoV)		3 / 3
SER A  62
SER A  59
ALA B 131
0.82A14.02
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.
1M17_A_AQ4A999_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		5n19 MAIN PROTEASE
(SARSr-CoV)		5 / 12
LEU A  57
LEU A  86
GLY A 146
LEU A  27
THR A  25
1.45A21.94
None
None
None
D03  A 401 ( 4.9A)
D03  A 401 (-3.7A)
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.
6DWN_B_AQ4B602_1
(CYTOCHROME P450 1A1)		5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)		5 / 7
PHE B 436
GLY B 505
ALA B 504
VAL B 312
LEU B 508
1.61A21.53
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.
1M17_A_AQ4A999_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)		5 / 12
GLU C 191
LEU C 185
THR C 277
LEU C 280
GLY C 251
1.47A20.64
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.
4HJO_A_AQ4A1001_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)		6 / 12
LEU B 105
VAL B 136
ALA B 138
GLY B 102
CYH B  11
ASP B  99
1.76A21.12
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.
6DWN_C_AQ4C602_1
(CYTOCHROME P450 1A1)		5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)		3 / 3
SER B 450
SER B 448
ALA B 488
1.23A21.53
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.
6DWN_A_AQ4A602_0
(CYTOCHROME P450 1A1)		5tl7 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
ASN B  89
ASP B  41
GLY B  39
ASP B  38
ILE B  45
1.40A21.26
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWN_D_AQ4D602_0
(CYTOCHROME P450 1A1)		5tl7 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
ASP B  41
GLY B  39
ALA B  40
ASP B  38
ILE B  45
1.17A21.26
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWN_A_AQ4A602_1
(CYTOCHROME P450 1A1)		5x29 ENVELOPE SMALL
MEMBRANE PROTEIN
(SARSr-CoV)		4 / 5
ILE E  46
SER E  50
ALA E  41
LEU E  34
1.47A10.77
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.
6DWN_A_AQ4A602_0
(CYTOCHROME P450 1A1)		5x4r S PROTEIN
(MERS-CoV)		5 / 12
SER A  51
PHE A 341
ASP A  49
GLY A  79
ILE A 337
1.56A21.49
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWN_C_AQ4C602_1
(CYTOCHROME P450 1A1)		5x4r S PROTEIN
(MERS-CoV)		3 / 3
SER A  88
SER A 299
ALA A  92
1.22A21.49
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1M17_A_AQ4A999_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		5x4r S PROTEIN
(MERS-CoV)		5 / 12
LEU A 265
ALA A 182
LEU A 172
LEU A 284
LEU A 149
1.37A20.70
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWN_C_AQ4C602_1
(CYTOCHROME P450 1A1)		5x58 SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		3 / 3
SER A 703
SER A 701
ALA B 874
0.90A17.39
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.
6DWN_C_AQ4C602_0
(CYTOCHROME P450 1A1)		5x59 S PROTEIN
(MERS-CoV)		5 / 12
ILE B 976
ASN B1002
PHE B1001
GLY B 866
ILE B 955
1.47A16.38
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.
6DWN_D_AQ4D602_0
(CYTOCHROME P450 1A1)		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		5 / 12
ILE C 787
SER C 785
PHE C 880
ILE C 800
LEU C1045
1.34A17.39
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.
6DWN_A_AQ4A602_1
(CYTOCHROME P450 1A1)		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		4 / 5
ILE A 228
SER A 105
ALA A 127
LEU A 222
1.46A17.39
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.
6DWN_C_AQ4C602_0
(CYTOCHROME P450 1A1)		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		5 / 12
ILE C 787
SER C 785
PHE C 880
ILE C 800
LEU C1045
1.32A17.39
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.
1M17_A_AQ4A999_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		5 / 12
ALA A 858
LYS A 772
LEU A 859
GLY A 871
THR A 865
1.40A13.68
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1M17_A_AQ4A999_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		5x5c S PROTEIN
(MERS-CoV)		5 / 12
LEU A 265
ALA A 182
LEU A 172
LEU A 284
LEU A 149
1.36A14.78
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.
6DWN_B_AQ4B602_0
(CYTOCHROME P450 1A1)		5x5f S PROTEIN
(MERS-CoV)		5 / 12
ILE C1165
LEU C 780
ASN C1169
PHE C1172
ASP C1182
1.64A16.38
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.
6DWN_A_AQ4A602_0
(CYTOCHROME P450 1A1)		5x5f S PROTEIN
(MERS-CoV)		5 / 12
PHE A 341
ASP A  49
GLY A  79
ASP A  80
ILE A  56
1.45A16.38
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.
6DWN_D_AQ4D602_0
(CYTOCHROME P450 1A1)		5x5f S PROTEIN
(MERS-CoV)		6 / 12
SER C 859
ASN C1002
PHE C 869
GLY C 866
ILE C 861
LEU C 874
1.70A16.38
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.
6DWN_C_AQ4C602_1
(CYTOCHROME P450 1A1)		5x5f S PROTEIN
(MERS-CoV)		3 / 3
SER B1091
SER B1095
ALA B1025
0.97A16.38
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.
6DWN_A_AQ4A602_0
(CYTOCHROME P450 1A1)		5xlr SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
SER A1033
PHE A 870
LEU A 876
GLY A1017
ASP B1023
1.59A17.41
SER  A1033 ( 0.0A)
PHE  A 870 ( 1.3A)
LEU  A 876 ( 0.6A)
GLY  A1017 ( 0.0A)
ASP  B1023 ( 0.5A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWN_D_AQ4D602_0
(CYTOCHROME P450 1A1)		5xlr SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
ILE B 656
PHE B 629
GLY B 634
ASP B 600
ILE B 299
1.46A17.41
ILE  B 656 ( 0.7A)
PHE  B 629 ( 1.3A)
GLY  B 634 ( 0.0A)
ASP  B 600 ( 0.5A)
ILE  B 299 ( 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.
6DWN_A_AQ4A602_1
(CYTOCHROME P450 1A1)		5xlr SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 5
ILE A 800
SER A 798
ALA A1038
LEU A 927
1.41A17.41
ILE  A 800 ( 0.7A)
SER  A 798 ( 0.0A)
ALA  A1038 ( 0.0A)
LEU  A 927 ( 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.
6DWN_D_AQ4D602_0
(CYTOCHROME P450 1A1)		5y3e REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		6 / 12
PHE A  57
ASP A  41
GLY A  39
ALA A  40
ASP A  38
ILE A  45
1.29A21.46
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.
4HJO_A_AQ4A1001_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		5zvm SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
LEU A 930
ALA A 926
THR A 923
GLY C 928
THR C 923
1.47A14.53
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.
1M17_A_AQ4A999_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		5zvm PAN-COV INHIBITORY
PEPTIDE EK1
SPIKE GLYCOPROTEIN
(SARSr-CoV;
synthetic
construct)		5 / 12
LEU C 920
LEU c  18
GLY A 928
LEU A 927
THR B 923
1.39A15.26
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWN_B_AQ4B602_1
(CYTOCHROME P450 1A1)		6acc SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 7
SER C 607
PHE C 305
GLY C 638
ALA C 639
LEU C 597
1.67A17.41
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.
6DWN_C_AQ4C602_0
(CYTOCHROME P450 1A1)		6acd SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
SER B 165
ASN C 347
ASP B 166
ILE B 125
LEU B 222
1.25A17.41
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.
6DWN_B_AQ4B602_0
(CYTOCHROME P450 1A1)		6acd SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
SER C 568
ASN C 528
PHE C 529
ASN C 530
ILE C 570
1.51A17.41
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.
6DWN_D_AQ4D602_0
(CYTOCHROME P450 1A1)		6acg SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
ILE B 674
ASP B 649
GLY B 298
ILE B 652
LEU B 597
1.36A17.41
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.
6DWN_A_AQ4A602_0
(CYTOCHROME P450 1A1)		6acg SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
ASN B 746
ASN C 304
PHE C 578
ASP B 727
GLY B 726
1.33A17.41
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.
6DWN_B_AQ4B602_1
(CYTOCHROME P450 1A1)		6acg ACE2
(Homo
sapiens)		5 / 7
PHE D 314
GLY D 405
ALA D 403
VAL D 573
LEU D 529
1.38A22.17
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.
6DWN_C_AQ4C602_1
(CYTOCHROME P450 1A1)		6acj ACE2
(Homo
sapiens)		3 / 3
SER D  47
SER D  44
ALA D 348
1.02A22.17
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.
6DWN_A_AQ4A602_1
(CYTOCHROME P450 1A1)		6acj SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 5
ILE B 800
SER B 798
ALA B1038
LEU B 927
1.14A17.41
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.
6DWN_C_AQ4C602_1
(CYTOCHROME P450 1A1)		6acj SPIKE GLYCOPROTEIN
(SARSr-CoV)		3 / 3
SER B 113
SER B 111
ALA B 156
1.24A17.41
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.
1M17_A_AQ4A999_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		6ack ACE2
(Homo
sapiens)		5 / 12
LEU D 240
ALA D 443
LEU D 444
GLY D 448
THR D 519
1.41A19.97
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.
1M17_A_AQ4A999_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		6ack SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
LEU B 681
ALA A 854
LEU A 859
THR A 856
LEU A 847
1.39A14.21
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWN_A_AQ4A602_0
(CYTOCHROME P450 1A1)		6ack ACE2
(Homo
sapiens)		5 / 12
LEU D 391
PHE D 390
GLY D 352
PHE D  40
ILE D 379
1.56A22.17
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.
6DWN_A_AQ4A602_1
(CYTOCHROME P450 1A1)		6ack ACE2
(Homo
sapiens)		4 / 5
ILE D 544
SER D 545
ALA D 413
LEU D 410
1.35A22.17
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.
4HJO_A_AQ4A1001_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		6ack ACE2
(Homo
sapiens)		5 / 12
LEU D 222
VAL D 226
THR D 453
GLY D 399
THR D 519
1.45A20.07
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.
6DWN_B_AQ4B602_0
(CYTOCHROME P450 1A1)		6crv SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
SER C 541
ASN C 522
ASP C 572
PHE C 529
ASP C 564
1.65A18.55
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.
6DWN_C_AQ4C602_0
(CYTOCHROME P450 1A1)		6crv SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
SER B 701
ASN B1090
GLY B1028
ILE B 702
LEU B1031
1.44A18.55
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.
6DWN_A_AQ4A602_1
(CYTOCHROME P450 1A1)		6crv SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 5
ILE A 800
SER A 798
ALA A1038
LEU A 927
1.56A18.55
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.
6DWN_A_AQ4A602_0
(CYTOCHROME P450 1A1)		6crv SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
ASN C 602
PHE C 305
GLY C 580
ASP C 600
ILE C 652
1.45A18.55
NAG  C1311 (-1.9A)
None
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWN_D_AQ4D602_0
(CYTOCHROME P450 1A1)		6crv SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
GLY C 634
ALA C 633
ASP C 600
ILE A 826
LEU A 831
1.41A18.55
None
None
None
None
NAG  C1311 (-4.7A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4HJO_A_AQ4A1001_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		6crw SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
LEU A 377
VAL A 510
ALA A 350
GLY A 418
LEU A 499
1.29A14.97
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.
6DWN_C_AQ4C602_0
(CYTOCHROME P450 1A1)		6crx SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
SER A 701
ASN A1090
GLY A1028
ILE A 702
LEU A1031
1.38A17.90
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWN_A_AQ4A602_0
(CYTOCHROME P450 1A1)		6crx SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
ASN A 602
PHE A 305
GLY A 580
ASP A 600
ILE A 652
1.43A17.90
NAG  A1308 (-1.8A)
None
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWN_D_AQ4D602_0
(CYTOCHROME P450 1A1)		6crz SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
ILE C 826
ASN B 602
GLY B 634
ALA B 633
ASP B 600
1.27A17.90
None
NAG  B1309 (-1.8A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWN_B_AQ4B602_1
(CYTOCHROME P450 1A1)		6cs1 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 7
PHE B 364
GLY B 512
ALA B 350
VAL B 382
LEU B 499
1.67A17.90
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWN_A_AQ4A602_1
(CYTOCHROME P450 1A1)		6cs2 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 5
ILE B 687
SER B 685
ALA C 874
LEU C 876
1.26A17.90
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWN_B_AQ4B602_0
(CYTOCHROME P450 1A1)		6cs2 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
SER B 541
ASN B 522
ASP B 572
PHE B 529
ASP B 564
1.48A17.90
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWN_A_AQ4A602_0
(CYTOCHROME P450 1A1)		6cs2 ACE2
(Homo
sapiens)		5 / 12
ASN D 394
LEU D 391
PHE D 390
GLY D 352
ASP D 350
1.58A21.16
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.
6DWN_A_AQ4A602_1
(CYTOCHROME P450 1A1)		6cs2 ACE2
(Homo
sapiens)		4 / 5
ILE D 544
SER D 545
ALA D 413
LEU D 410
1.51A21.16
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.
6DWN_C_AQ4C602_1
(CYTOCHROME P450 1A1)		6cs2 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		3 / 3
SER A 703
SER A 701
ALA B 872
1.06A17.90
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWN_C_AQ4C602_1
(CYTOCHROME P450 1A1)		6jyt HELICASE
(SARSr-CoV)		3 / 3
SER A 148
SER B  36
ALA B 108
1.19A21.95
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.
4HJO_A_AQ4A1001_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		6jyt HELICASE
(SARSr-CoV)		5 / 12
LEU B  83
VAL B  60
GLY B  91
CYH B  27
LEU B  14
1.49A20.63
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.
4HJO_A_AQ4A1001_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		6m17 ACE2
(Homo
sapiens)		5 / 12
LEU D 266
ALA D 251
GLY D 268
LEU D 278
THR D 282
1.53A16.89
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWN_B_AQ4B602_1
(CYTOCHROME P450 1A1)		6m18 ACE2
(Homo
sapiens)		5 / 7
SER B 409
PHE B 315
ALA B 403
VAL B 573
LEU B 554
1.50A19.23
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.
6DWN_C_AQ4C602_1
(CYTOCHROME P450 1A1)		6m18 SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		3 / 3
SER A 561
SER A 573
ALA A 392
1.12A21.38
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.
6DWN_A_AQ4A602_1
(CYTOCHROME P450 1A1)		6m18 SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		4 / 5
ILE C 287
SER C 100
ALA C 498
LEU C  88
1.41A21.38
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.
6DWN_B_AQ4B602_1
(CYTOCHROME P450 1A1)		6m18 SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		5 / 7
SER A 491
ASN A  54
GLY A 272
ALA A 271
LEU A  61
1.68A21.38
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.
6DWN_B_AQ4B602_0
(CYTOCHROME P450 1A1)		6m18 SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		5 / 12
ASN C 386
LEU C 389
ASN C 249
ASP C 334
ASP C 384
1.73A21.38
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.
6DWN_A_AQ4A602_1
(CYTOCHROME P450 1A1)		6m1d ACE2
(Homo
sapiens)		4 / 5
ILE B 622
SER B 721
ALA B 632
LYS D 657
1.22A19.23
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.
6DWN_D_AQ4D602_0
(CYTOCHROME P450 1A1)		6m1d SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		5 / 12
ILE C 544
PHE C 548
GLY C 272
ALA C 271
ASP C 270
1.27A21.38
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.
6DWN_A_AQ4A602_1
(CYTOCHROME P450 1A1)		6nb6 SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 5
ILE A 299
SER A 582
ALA A 633
LEU C 846
1.55A17.69
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.
6DWN_C_AQ4C602_1
(CYTOCHROME P450 1A1)		6nb7 SPIKE GLYCOPROTEIN
(SARSr-CoV)		3 / 3
SER B 703
SER B 701
ALA A 874
1.11A17.69
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.
6DWN_C_AQ4C602_1
(CYTOCHROME P450 1A1)		6nur NSP7
NSP8
(SARSr-CoV)		3 / 3
SER C  57
SER C  54
ALA D 152
1.24A12.92
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWN_B_AQ4B602_0
(CYTOCHROME P450 1A1)		6nur NSP12
(SARSr-CoV)		5 / 12
SER A 578
ASN A 643
ASP A 484
ASP A 481
ILE A 579
1.67A19.49
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWN_A_AQ4A602_0
(CYTOCHROME P450 1A1)		6nur NSP12
(SARSr-CoV)		5 / 12
SER A 578
ASN A 489
ASN A 491
ASP A 484
GLY A 486
1.30A19.49
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1M17_A_AQ4A999_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		6nus NSP12
(SARSr-CoV)		5 / 12
LEU A 401
ALA A 399
LEU A 387
LEU A 673
GLY A 670
1.48A14.90
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWN_B_AQ4B602_1
(CYTOCHROME P450 1A1)		6w41 CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		4 / 7
SER L 203
GLY L 200
ALA L 112
LEU L 136
1.46A15.94
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.
1M17_A_AQ4A999_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		6w41 CR3022 FAB HEAVY
CHAIN
CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		5 / 12
LEU L 135
LEU L 179
THR L 178
GLY H 139
LEU H 124
1.49A17.27
None
None
GOL  L 301 (-3.6A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWN_B_AQ4B602_1
(CYTOCHROME P450 1A1)		6w41 CR3022 FAB HEAVY
CHAIN
CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		4 / 7
SER H 177
ALA L 130
VAL L 150
LEU L 179
1.56A16.02
GOL  L 301 (-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.
6DWN_B_AQ4B602_1
(CYTOCHROME P450 1A1)		6w41 CR3022 FAB HEAVY
CHAIN
CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		4 / 7
SER H 172
GLY L 157
VAL L 150
LEU L 179
1.27A16.02
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.
6DWN_B_AQ4B602_1
(CYTOCHROME P450 1A1)		6w41 CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		4 / 7
SER L  52
ASN L  22
GLY L  68
LEU L   4
1.46A15.94
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.
6DWN_B_AQ4B602_1
(CYTOCHROME P450 1A1)		6yla HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		4 / 7
SER B 176
GLY C 163
VAL C 156
LEU C 185
1.14A
None
None
MLI  C 305 ( 4.5A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1M17_A_AQ4A999_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		6yla HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		5 / 12
LEU L 141
LEU L 185
THR L 184
GLY H 143
LEU H 128
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.
6DWN_B_AQ4B602_1
(CYTOCHROME P450 1A1)		6yla HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		4 / 7
SER H 176
GLY L 163
VAL L 156
LEU L 185
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.
6DWN_C_AQ4C602_1
(CYTOCHROME P450 1A1)		6yla LIGHT CHAIN
(Homo
sapiens)		3 / 3
SER L  71
SER L  69
ALA L  19
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.
6DWN_C_AQ4C602_0
(CYTOCHROME P450 1A1)		6yla HEAVY CHAIN
(Homo
sapiens)		5 / 12
ILE B  51
ASN B  77
ASP B  55
GLY B  54
ILE B 102
1.77A20.00
None
None
MLI  B 302 ( 4.1A)
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.
1M17_A_AQ4A999_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		6yla HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		5 / 12
LEU C 131
ALA C 136
THR C 186
LEU B 145
ASP B 148
1.53A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1M17_A_AQ4A999_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		6yla HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		5 / 12
LEU L 131
ALA L 136
THR L 186
LEU H 145
ASP H 148
1.52A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWN_C_AQ4C602_0
(CYTOCHROME P450 1A1)		6yla HEAVY CHAIN
(Homo
sapiens)		5 / 12
ILE H  51
ASN H  77
ASP H  55
GLY H  54
ILE H 102
1.75A20.00
None
None
MLI  E 908 (-3.9A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1M17_A_AQ4A999_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		6yla HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		5 / 12
LEU C 141
LEU C 185
THR C 184
GLY B 143
LEU B 128
1.51A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1M17_A_AQ4A999_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		6ym0 HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		5 / 12
LEU L 141
LEU L 185
THR L 184
GLY H 143
LEU H 128
1.59A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWN_C_AQ4C602_0
(CYTOCHROME P450 1A1)		6ym0 HEAVY CHAIN
(Homo
sapiens)		5 / 12
ILE H  51
ASN H  77
ASP H  55
GLY H  54
ILE H 102
1.72A20.20
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.
6DWN_A_AQ4A602_1
(CYTOCHROME P450 1A1)		6ym0 HEAVY CHAIN
(Homo
sapiens)		4 / 5
ILE H  20
SER H   7
ALA H  92
LEU H  86
1.79A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1M17_A_AQ4A999_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		6ym0 HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		5 / 12
LEU L 131
ALA L 136
THR L 186
LEU H 145
ASP H 148
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.
6DWN_B_AQ4B602_1
(CYTOCHROME P450 1A1)		6ym0 HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		4 / 7
SER H 176
GLY L 163
VAL L 156
LEU L 185
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.
1M17_A_AQ4A999_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		6yor IGG H CHAIN
IGG L CHAIN
(Homo
sapiens)		5 / 12
LEU L 141
LEU L 185
THR L 184
GLY H 143
LEU H 128
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.
6DWN_C_AQ4C602_1
(CYTOCHROME P450 1A1)		6yor IGG L CHAIN
(Homo
sapiens)		3 / 3
SER C  71
SER C  69
ALA C  19
1.44A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWN_C_AQ4C602_0
(CYTOCHROME P450 1A1)		6yor IGG H CHAIN
(Homo
sapiens)		5 / 12
ILE B  51
ASN B  77
ASP B  55
GLY B  54
ILE B 102
1.75A20.00
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.
6DWN_C_AQ4C602_1
(CYTOCHROME P450 1A1)		6yor IGG L CHAIN
(Homo
sapiens)		3 / 3
SER L  71
SER L  69
ALA L  19
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.
1M17_A_AQ4A999_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		6yor IGG H CHAIN
IGG L CHAIN
(Homo
sapiens)		5 / 12
LEU C 141
LEU C 185
THR C 184
GLY B 143
LEU B 128
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.
6DWN_B_AQ4B602_1
(CYTOCHROME P450 1A1)		6yor IGG H CHAIN
IGG L CHAIN
(Homo
sapiens)		4 / 7
SER H 176
GLY L 163
VAL L 156
LEU L 185
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.
6DWN_B_AQ4B602_1
(CYTOCHROME P450 1A1)		6yor IGG H CHAIN
IGG L CHAIN
(Homo
sapiens)		4 / 7
SER B 176
GLY C 163
VAL C 156
LEU C 185
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.
1M17_A_AQ4A999_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		6yor IGG H CHAIN
IGG L CHAIN
(Homo
sapiens)		5 / 12
LEU C 131
ALA C 136
THR C 186
LEU B 145
ASP B 148
1.51A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1M17_A_AQ4A999_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		6yor IGG H CHAIN
IGG L CHAIN
(Homo
sapiens)		5 / 12
LEU L 131
ALA L 136
THR L 186
LEU H 145
ASP H 148
1.52A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWN_C_AQ4C602_0
(CYTOCHROME P450 1A1)		6yor IGG H CHAIN
(Homo
sapiens)		5 / 12
ILE H  51
ASN H  77
ASP H  55
GLY H  54
ILE H 102
1.75A20.00
None