Ligand ID: 30B


Drugbank ID:
DB06290
(Simeprevir)


Indication:
Indicated for the treatment of adults with chronic hepatitis C virus (HCV) infection: typically in combination with sofosbuvir in patients with HCV genotype 1 without cirrhosis or with compensated cirrhosis and in combination with peginterferon alfa (Peg-IFN-alfa) and ribavirin (RBV) in patients with HCV genotype 1 or 4 without cirrhosis or with compensated cirrhosis.

Get human targets for 30B in PDB (known and potential targets)

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND '30B' 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.
3KEE_A_30BA500_1
(GENOME POLYPROTEIN)		1q2w 3C-LIKE PROTEASE
(SARSr-CoV)		5 / 12
GLY A 120
GLY A 146
PHE A 140
ALA A 116
CYH A 128
1.58A22.73
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KEE_B_30BB500_1
(GENOME POLYPROTEIN)		1uk4 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
GLN B 189
VAL B 171
PHE B 185
ALA B 193
ALA B 194
1.20A22.73
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KEE_C_30BC500_1
(GENOME POLYPROTEIN)		1wof 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
GLY B 138
GLY B 170
ARG B 131
ALA B 194
ASP B 197
1.53A22.73
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KEE_B_30BB500_2
(GENOME POLYPROTEIN)		1x7q BETA-2-MICROGLOBULIN
HLA, A-11
(Homo
sapiens)		3 / 3
PHE B  56
TYR A   9
LEU B  65
1.31A17.39
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.
3KEE_D_30BD500_1
(GENOME POLYPROTEIN)		1z1i 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
GLY A 138
GLY A 170
ARG A 131
ALA A 194
ASP A 197
1.26A22.73
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KEE_C_30BC500_1
(GENOME POLYPROTEIN)		1z1i 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
GLY A 138
GLY A 170
ARG A 131
ALA A 194
ASP A 197
1.25A22.73
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KEE_A_30BA500_1
(GENOME POLYPROTEIN)		1z1i 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
GLY A 138
GLY A 170
ARG A 131
ALA A 194
ASP A 197
1.23A22.73
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KEE_D_30BD500_1
(GENOME POLYPROTEIN)		1z1j 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
GLY B1138
GLY B1170
ARG B1131
ALA B1194
ASP B1197
1.51A22.80
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.
3KEE_A_30BA500_1
(GENOME POLYPROTEIN)		2a5k 3C-LIKE PEPTIDASE
(SARSr-CoV)		5 / 12
GLY B 120
GLY B 146
PHE B 140
ALA B 116
CYH B 128
1.59A22.73
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KEE_B_30BB500_2
(GENOME POLYPROTEIN)		2ajf ACE2
(Homo
sapiens)		3 / 3
PHE B 356
TYR B 381
LEU B 359
1.08A15.24
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KEE_A_30BA500_1
(GENOME POLYPROTEIN)		2alv REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
GLY A 120
GLY A 146
PHE A 140
ALA A 116
CYH A 128
1.56A22.73
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KEE_B_30BB500_1
(GENOME POLYPROTEIN)		2alv REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
GLN A 189
VAL A 171
PHE A 185
ALA A 193
ALA A 194
1.25A22.73
CY6  A1145 (-3.7A)
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.
3KEE_B_30BB500_1
(GENOME POLYPROTEIN)		2amq 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
GLN B 189
VAL B 171
PHE B 185
ALA B 193
ALA B 194
1.28A22.73
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KEE_D_30BD500_1
(GENOME POLYPROTEIN)		2cjr NUCLEOCAPSID PROTEIN
(SARS-COV
TW1)		5 / 12
GLY H 296
GLY G 317
PHE G 316
ALA H 306
ALA H 309
1.35A18.27
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.
3KEE_A_30BA500_1
(GENOME POLYPROTEIN)		2cjr NUCLEOCAPSID PROTEIN
(SARS-COV
TW1)		5 / 12
GLY B 296
GLY A 317
PHE A 316
ALA B 306
ALA B 309
1.29A18.27
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.
3KEE_A_30BA500_1
(GENOME POLYPROTEIN)		2d2d 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
GLY B 120
GLY B 146
PHE B 140
ALA B 116
CYH B 128
1.59A22.73
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KEE_A_30BA500_1
(GENOME POLYPROTEIN)		2dd8 IGG HEAVY CHAIN
IGG LIGHT CHAIN
(Homo
sapiens)		5 / 12
HIS H 164
SER L 138
PHE L 140
ALA L 175
ALA L 176
1.56A23.43
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.
3KEE_D_30BD500_1
(GENOME POLYPROTEIN)		2dd8 IGG HEAVY CHAIN
IGG LIGHT CHAIN
(Homo
sapiens)		5 / 12
HIS H 164
SER L 138
PHE L 140
ALA L 175
ALA L 176
1.49A23.43
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.
3KEE_B_30BB500_2
(GENOME POLYPROTEIN)		2dd8 SPIKE GLYCOPROTEIN
(SARSr-CoV)		3 / 3
PHE S 501
TYR S 367
LEU S 504
1.19A21.10
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.
3KEE_C_30BC500_1
(GENOME POLYPROTEIN)		2dd8 IGG HEAVY CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARSr-CoV)		5 / 12
GLY S 490
VAL H  37
GLY H  50
ALA H  93
ASP H 101
1.25A21.10
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.
3KEE_C_30BC500_1
(GENOME POLYPROTEIN)		2fxp SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
GLY A  15
VAL C   8
GLY C  11
SER C  14
ASP B  12
1.45A16.15
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.
3KEE_A_30BA500_1
(GENOME POLYPROTEIN)		2gdt NSP1 (EC 3.4.22.-)
P65 HOMOLOG
LEADER PROTEIN
(SARSr)		5 / 12
HIS A  70
GLY A  71
ALA A  65
ALA A  65
ASP A  64
1.20A22.67
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.
3KEE_A_30BA500_1
(GENOME POLYPROTEIN)		2gdt NSP1 (EC 3.4.22.-)
P65 HOMOLOG
LEADER PROTEIN
(SARSr)		5 / 12
HIS A   2
GLY A   1
ALA A  65
ALA A  65
ASP A  64
1.35A22.67
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.
3KEE_A_30BA500_1
(GENOME POLYPROTEIN)		2gdt NSP1 (EC 3.4.22.-)
P65 HOMOLOG
LEADER PROTEIN
(SARSr)		5 / 12
GLY A  71
ARG A  62
ALA A  65
ALA A  65
ASP A  64
1.05A22.67
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.
3KEE_A_30BA500_1
(GENOME POLYPROTEIN)		2gdt NSP1 (EC 3.4.22.-)
P65 HOMOLOG
LEADER PROTEIN
(SARSr)		5 / 12
HIS A  70
GLY A  71
ARG A  62
ALA A  65
ASP A  64
1.13A22.67
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.
3KEE_A_30BA500_1
(GENOME POLYPROTEIN)		2gdt NSP1 (EC 3.4.22.-)
P65 HOMOLOG
LEADER PROTEIN
(SARSr)		5 / 12
GLY A  71
SER A  67
ALA A  65
ALA A  65
ASP A  64
1.16A22.67
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.
3KEE_B_30BB500_1
(GENOME POLYPROTEIN)		2gdt NSP1 (EC 3.4.22.-)
P65 HOMOLOG
LEADER PROTEIN
(SARSr)		5 / 12
HIS A   2
GLY A   1
GLY A  71
SER A  67
ARG A 113
1.35A22.67
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.
3KEE_D_30BD500_1
(GENOME POLYPROTEIN)		2ghw ANTI-SCFV ANTIBODY,
80R
(Homo
sapiens)		5 / 12
GLN D 170
GLY D  42
ARG D  38
ALA D  92
ASP D  90
1.51A21.65
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KEE_B_30BB500_1
(GENOME POLYPROTEIN)		2gt8 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
GLN A 189
VAL A 171
PHE A 185
ALA A 193
ALA A 194
1.24A22.73
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KEE_A_30BA500_2
(GENOME POLYPROTEIN)		2h85 PUTATIVE ORF1AB
POLYPROTEIN
(SARSr-CoV)		4 / 4
GLN A   0
PHE A  15
TYR A   7
VAL A  51
1.52A19.71
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.
3KEE_C_30BC500_1
(GENOME POLYPROTEIN)		2jw8 NUCLEOCAPSID PROTEIN
(SARSr-CoV)		5 / 12
GLY B 296
GLY A 317
PHE A 316
ALA B 306
ALA B 309
1.35A18.27
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.
3KEE_B_30BB500_1
(GENOME POLYPROTEIN)		2jw8 NUCLEOCAPSID PROTEIN
(SARSr-CoV)		5 / 12
GLY B 296
GLY A 317
PHE A 316
ALA B 306
ALA B 309
1.33A18.27
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.
3KEE_B_30BB500_2
(GENOME POLYPROTEIN)		2kaf NSP3
(SARSr-CoV)		3 / 3
PHE A  50
TYR A  16
LEU A  28
1.40A20.61
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KEE_B_30BB500_2
(GENOME POLYPROTEIN)		2kqw NSP3
(SARSr-CoV)		3 / 3
PHE A 181
TYR A 147
LEU A 159
1.33A20.83
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.
3KEE_B_30BB500_1
(GENOME POLYPROTEIN)		2op9 REPLICASE
POLYPROTEIN 1AB
(PP1AB, ORF1AB)
3C-LIKE PROTEINASE
(3CL-PRO, 3CLP)
(SARSr-CoV)		5 / 12
GLN B 189
VAL B 171
PHE B 185
ALA B 193
ALA B 194
1.31A23.10
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.
3KEE_A_30BA500_1
(GENOME POLYPROTEIN)		2op9 REPLICASE
POLYPROTEIN 1AB
(PP1AB, ORF1AB)
3C-LIKE PROTEINASE
(3CL-PRO, 3CLP)
(SARSr-CoV)		5 / 12
GLY B 120
GLY B 146
PHE B 140
ALA B 116
CYH B 128
1.58A23.10
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.
3KEE_D_30BD500_2
(GENOME POLYPROTEIN)		2ozk URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		4 / 4
PHE D 329
TYR D 193
VAL B 275
LEU B 248
1.42A20.06
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.
3KEE_B_30BB500_2
(GENOME POLYPROTEIN)		2ozk URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		3 / 3
PHE B 240
TYR B 237
LEU B 245
1.41A20.06
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.
3KEE_D_30BD500_1
(GENOME POLYPROTEIN)		2q6g POLYPEPTIDE CHAIN
REPLICASE
POLYPROTEIN 1AB
(SARS-COV
BJ01)		5 / 12
GLN D   6
GLY B 174
PHE B 185
ALA B 193
ALA B 194
1.43A6.80
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.
3KEE_B_30BB500_2
(GENOME POLYPROTEIN)		2qc2 3C-LIKE PROTEINASE
(-)		3 / 3
PHE A 291
TYR B 126
LEU A 287
1.33A22.73
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KEE_B_30BB500_2
(GENOME POLYPROTEIN)		2qcy 3C-LIKE PROTEINASE
(SARSr-CoV)		3 / 3
PHE A   3
TYR A 126
LEU A 287
1.37A22.73
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KEE_B_30BB500_1
(GENOME POLYPROTEIN)		2qiq REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
GLN A 189
VAL A 171
PHE A 185
ALA A 193
ALA A 194
1.29A23.10
CYV  A 302 (-4.3A)
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.
3KEE_B_30BB500_2
(GENOME POLYPROTEIN)		2rhb URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		3 / 3
PHE A 341
TYR A 230
LEU A 248
1.37A20.29
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.
3KEE_D_30BD500_1
(GENOME POLYPROTEIN)		2xyr PUTATIVE 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		5 / 12
GLY A  81
GLY A  71
ARG A  86
ALA A 107
ASP A 108
1.49A21.69
SFG  A1298 (-3.5A)
SFG  A1298 (-3.9A)
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.
3KEE_A_30BA500_1
(GENOME POLYPROTEIN)		3aw1 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
GLY A 138
GLY A 170
ARG A 131
ALA A 194
ASP A 197
1.26A22.73
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KEE_C_30BC500_1
(GENOME POLYPROTEIN)		3aw1 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
GLY A 138
GLY A 170
ARG A 131
ALA A 194
ASP A 197
1.30A22.73
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KEE_D_30BD500_1
(GENOME POLYPROTEIN)		3aw1 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
GLY A 138
GLY A 170
ARG A 131
ALA A 194
ASP A 197
1.28A22.73
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KEE_D_30BD500_1
(GENOME POLYPROTEIN)		3bgf F26G19 FAB
SPIKE PROTEIN S1
(Mus
musculus;
SARSr-CoV)		5 / 12
GLN B  99
GLY A 488
LYS A 390
GLY A 391
PHE A 483
1.35A20.18
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.
3KEE_B_30BB500_2
(GENOME POLYPROTEIN)		3d0g SPIKE GLYCOPROTEIN
(SARSr-CoV)		3 / 3
PHE F 387
TYR F 494
LEU F 478
1.36A22.73
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KEE_B_30BB500_2
(GENOME POLYPROTEIN)		3d0g ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		3 / 3
PHE A 356
TYR A 381
LEU A 359
1.15A14.10
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.
3KEE_B_30BB500_2
(GENOME POLYPROTEIN)		3d0h SPIKE GLYCOPROTEIN
(SARSr-CoV)		3 / 3
PHE F 387
TYR F 494
LEU F 478
1.37A22.73
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KEE_C_30BC500_2
(GENOME POLYPROTEIN)		3d0h ACE2
SPIKE GLYCOPROTEIN
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		4 / 4
GLN A  76
PHE A  32
TYR E 442
LEU A  85
1.75A14.10
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.
3KEE_A_30BA500_2
(GENOME POLYPROTEIN)		3d0h ACE2
SPIKE GLYCOPROTEIN
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		4 / 4
GLN B  37
PHE B 390
TYR B 385
VAL F 404
1.79A14.10
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.
3KEE_A_30BA500_1
(GENOME POLYPROTEIN)		3d62 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
GLY A 120
GLY A 146
PHE A 140
ALA A 116
CYH A 128
1.62A23.10
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.
3KEE_C_30BC500_1
(GENOME POLYPROTEIN)		3d62 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
GLY A 138
GLY A 170
ARG A 131
ALA A 194
ASP A 197
1.44A23.10
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.
3KEE_B_30BB500_1
(GENOME POLYPROTEIN)		3e91 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
GLN A 189
VAL A 171
PHE A 185
ALA A 193
ALA A 194
1.29A22.73
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KEE_D_30BD500_1
(GENOME POLYPROTEIN)		3e91 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
GLY B 138
GLY B 170
ARG B 131
ALA B 194
ASP B 197
1.37A22.73
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KEE_A_30BA500_1
(GENOME POLYPROTEIN)		3e91 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
GLY B 138
GLY B 170
ARG B 131
ALA B 194
ASP B 197
1.35A22.73
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KEE_C_30BC500_1
(GENOME POLYPROTEIN)		3ea7 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
HIS B 172
GLY B 170
GLY A   2
SER A   1
ALA B 116
1.39A22.73
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KEE_B_30BB500_1
(GENOME POLYPROTEIN)		3f9f 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
GLN B 189
VAL B 171
PHE B 185
ALA B 193
ALA B 194
1.36A22.73
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KEE_C_30BC500_1
(GENOME POLYPROTEIN)		3fzd 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
GLY A 138
GLY A 170
ARG A 131
ALA A 194
ASP A 197
1.46A23.10
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.
3KEE_D_30BD500_1
(GENOME POLYPROTEIN)		3i6k HLA, A-2
(Homo
sapiens)		5 / 12
ASP E  39
LYS E  68
PHE E  22
ARG E  21
ALA E  24
1.51A20.38
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.
3KEE_B_30BB500_2
(GENOME POLYPROTEIN)		3m3s 3C-LIKE PROTEINASE
(SARSr-CoV)		3 / 3
PHE A 291
TYR B 126
LEU A 287
1.36A22.73
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KEE_A_30BA500_1
(GENOME POLYPROTEIN)		3m3s 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
GLY B 120
GLY B 146
PHE B 140
ALA B 116
CYH B 128
1.62A22.73
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KEE_B_30BB500_2
(GENOME POLYPROTEIN)		3m3t 3C-LIKE PROTEINASE
(SARSr-CoV)		3 / 3
PHE A   3
TYR A 126
LEU A 287
1.35A22.73
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KEE_C_30BC500_1
(GENOME POLYPROTEIN)		3m3v 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
GLY B 138
GLY B 170
SER A   1
ARG B 131
ASP B 197
1.29A22.73
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KEE_D_30BD500_1
(GENOME POLYPROTEIN)		3m3v 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
GLY B 138
SER A   1
ARG B 131
ALA B 194
ASP B 197
1.29A22.73
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KEE_D_30BD500_1
(GENOME POLYPROTEIN)		3r24 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		5 / 12
GLY A  81
GLY A  71
ARG A  86
ALA A 107
ASP A 108
1.45A19.94
SAM  A 302 (-3.4A)
SAM  A 302 (-3.7A)
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.
3KEE_C_30BC500_1
(GENOME POLYPROTEIN)		3r24 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		5 / 12
GLY A  81
GLY A  71
ARG A  86
ALA A 107
ASP A 108
1.46A19.94
SAM  A 302 (-3.4A)
SAM  A 302 (-3.7A)
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.
3KEE_A_30BA500_1
(GENOME POLYPROTEIN)		3r24 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		5 / 12
GLY A  81
GLY A  71
ARG A  86
ALA A 107
ASP A 108
1.45A19.94
SAM  A 302 (-3.4A)
SAM  A 302 (-3.7A)
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.
3KEE_B_30BB500_2
(GENOME POLYPROTEIN)		3sci ACE2
(Homo
sapiens)		3 / 3
PHE A 356
TYR A 381
LEU A 359
1.14A14.36
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KEE_D_30BD500_1
(GENOME POLYPROTEIN)		3sck ACE2
SPIKE GLYCOPROTEIN
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 12
GLN B 325
GLY B 326
GLY F 488
ALA B 386
ASP B 382
1.53A13.37
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KEE_B_30BB500_2
(GENOME POLYPROTEIN)		3sck ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		3 / 3
PHE A 356
TYR A 381
LEU A 359
1.10A13.37
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KEE_D_30BD500_1
(GENOME POLYPROTEIN)		3sna 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
GLY A 138
GLY A 170
ARG A 131
ALA A 194
ASP A 197
1.40A23.10
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.
3KEE_D_30BD500_1
(GENOME POLYPROTEIN)		4hi3 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
GLY B 138
GLY B 170
ARG B 131
ALA B 194
ASP B 197
1.47A23.91
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.
3KEE_A_30BA500_1
(GENOME POLYPROTEIN)		4hi3 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
HIS A 172
GLY A 170
GLY B   2
SER B   1
ALA A 116
1.62A23.91
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.
3KEE_C_30BC500_1
(GENOME POLYPROTEIN)		4hi3 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
GLY B 138
GLY B 170
ARG B 131
ALA B 194
ASP B 197
1.49A23.91
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.
3KEE_C_30BC500_1
(GENOME POLYPROTEIN)		4ow0 PAPAIN-LIKE PROTEASE
(SARS-COV
Urbani)		5 / 12
HIS B 192
VAL B 188
GLY B 194
ARG B 229
ALA B 231
1.54A21.05
 ZN  B 901 ( 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.
3KEE_B_30BB500_1
(GENOME POLYPROTEIN)		5b6o 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
GLN A 189
VAL A 171
PHE A 185
ALA A 193
ALA A 194
1.30A23.03
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.
3KEE_A_30BA500_1
(GENOME POLYPROTEIN)		5b6o 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
GLY B 138
GLY B 170
ARG B 131
ALA B 194
ASP B 197
1.37A23.03
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.
3KEE_D_30BD500_1
(GENOME POLYPROTEIN)		5b6o 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
GLY B 138
GLY B 170
ARG B 131
ALA B 194
ASP B 197
1.40A23.03
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.
3KEE_B_30BB500_1
(GENOME POLYPROTEIN)		5c5o 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
GLN B 189
VAL B 171
PHE B 185
ALA B 193
ALA B 194
1.27A22.73
SDJ  B 401 ( 4.2A)
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.
3KEE_B_30BB500_2
(GENOME POLYPROTEIN)		5c8s GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		3 / 3
PHE D 240
TYR D 237
LEU D 177
1.07A17.18
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.
3KEE_B_30BB500_2
(GENOME POLYPROTEIN)		5c8t GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		3 / 3
PHE D 240
TYR D 237
LEU D 177
1.03A17.59
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.
3KEE_A_30BA500_1
(GENOME POLYPROTEIN)		5c8u GUANINE-N7
METHYLTRANSFERASE
NSP10
(SARSr-CoV)		5 / 12
HIS C  80
ASP D 126
ARG D  53
ALA C   4
ASP D  10
1.49A25.70
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.
3KEE_D_30BD500_1
(GENOME POLYPROTEIN)		5c8u GUANINE-N7
METHYLTRANSFERASE
NSP10
(SARSr-CoV)		5 / 12
HIS C  80
ASP D 126
ARG D  53
ALA C   4
ASP D  10
1.43A25.70
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.
3KEE_B_30BB500_2
(GENOME POLYPROTEIN)		5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)		3 / 3
PHE B 240
TYR B 237
LEU B 177
1.07A17.14
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.
3KEE_D_30BD500_1
(GENOME POLYPROTEIN)		5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)		5 / 12
HIS N  80
ASP B 126
ARG B  53
ALA N   4
ASP B  10
1.41A21.21
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.
3KEE_A_30BA500_1
(GENOME POLYPROTEIN)		5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)		5 / 12
HIS N  80
ASP B 126
ARG B  53
ALA N   4
ASP B  10
1.47A21.21
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.
3KEE_C_30BC500_1
(GENOME POLYPROTEIN)		5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)		5 / 12
VAL C   4
GLY C  59
SER C  56
ALA P   4
ASP C  10
1.41A17.14
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.
3KEE_C_30BC500_1
(GENOME POLYPROTEIN)		5wrg SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
GLY A1041
ASP A 849
VAL A 860
ALA A 853
ALA A 857
1.31A10.14
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.
3KEE_B_30BB500_1
(GENOME POLYPROTEIN)		5wrg SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
GLY A1041
ASP A 849
VAL A 860
ALA A 853
ALA A 857
1.29A10.14
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.
3KEE_B_30BB500_2
(GENOME POLYPROTEIN)		5x4s SPIKE GLYCOPROTEIN
(SARSr-CoV)		3 / 3
PHE A 231
TYR A  88
LEU A 224
1.44A22.30
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.
3KEE_B_30BB500_2
(GENOME POLYPROTEIN)		5x58 SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		3 / 3
PHE A 501
TYR A 367
LEU A 504
1.27A9.85
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KEE_A_30BA500_1
(GENOME POLYPROTEIN)		5x59 S PROTEIN
(MERS-CoV)		5 / 12
ASP B 771
GLY C 953
SER C 858
ALA C 969
ALA C 968
1.36A9.75
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KEE_D_30BD500_1
(GENOME POLYPROTEIN)		5x59 S PROTEIN
(MERS-CoV)		5 / 12
ASP B 771
GLY C 953
SER C 858
ALA C 969
ALA C 968
1.36A9.75
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KEE_B_30BB500_1
(GENOME POLYPROTEIN)		5x59 S PROTEIN
(MERS-CoV)		5 / 12
ASP B 771
GLY C 953
SER C 858
ALA C 969
ALA C 968
1.37A9.75
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KEE_C_30BC500_1
(GENOME POLYPROTEIN)		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		5 / 12
GLY C1041
ASP C 849
VAL C 860
ALA C 853
ALA C 857
1.27A9.85
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KEE_A_30BA500_1
(GENOME POLYPROTEIN)		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		5 / 12
GLY B 512
ASP B 376
ALA B 371
CYH B 366
ASP C 967
1.52A9.85
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KEE_B_30BB500_1
(GENOME POLYPROTEIN)		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		5 / 12
GLY C1041
ASP C 849
VAL C 860
ALA C 853
ALA C 857
1.25A9.85
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KEE_B_30BB500_2
(GENOME POLYPROTEIN)		5x5c S PROTEIN
(MERS-CoV)		3 / 3
PHE C 254
TYR C 243
LEU C 251
1.42A9.75
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KEE_C_30BC500_1
(GENOME POLYPROTEIN)		5x5f S PROTEIN
(MERS-CoV)		6 / 12
GLY C 864
VAL C 958
GLY C 953
SER C 859
ALA C 969
ALA C 968
1.70A9.75
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KEE_D_30BD500_2
(GENOME POLYPROTEIN)		5x5f S PROTEIN
(MERS-CoV)		4 / 4
PHE A 323
TYR A  71
VAL A 356
LEU A 347
1.62A9.75
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KEE_D_30BD500_1
(GENOME POLYPROTEIN)		5xlr SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
GLY A  39
GLY A 199
PHE A 185
ALA A  90
ALA A  91
1.36A10.14
GLY  A  39 ( 0.0A)
GLY  A 199 ( 0.0A)
PHE  A 185 ( 1.3A)
ALA  A  90 ( 0.0A)
ALA  A  91 ( 0.0A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KEE_A_30BA500_1
(GENOME POLYPROTEIN)		5xlr SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
GLY A  39
GLY A 199
PHE A 185
ALA A  90
ALA A  91
1.36A10.14
GLY  A  39 ( 0.0A)
GLY  A 199 ( 0.0A)
PHE  A 185 ( 1.3A)
ALA  A  90 ( 0.0A)
ALA  A  91 ( 0.0A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KEE_B_30BB500_2
(GENOME POLYPROTEIN)		5xlr SPIKE GLYCOPROTEIN
(SARSr-CoV)		3 / 3
PHE C 185
TYR C 200
LEU C 257
1.35A10.14
PHE  C 185 ( 1.3A)
TYR  C 200 ( 1.3A)
LEU  C 257 ( 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.
3KEE_C_30BC500_1
(GENOME POLYPROTEIN)		6acg SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
GLY B1041
ARG B 797
ALA B 853
ALA B 854
ASP B 850
1.42A10.14
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.
3KEE_A_30BA500_1
(GENOME POLYPROTEIN)		6acg SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
GLY B1041
ARG B 797
ALA B 853
ALA B 854
ASP B 850
1.38A10.14
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.
3KEE_D_30BD500_1
(GENOME POLYPROTEIN)		6acg SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
GLY B1041
ARG B 797
ALA B 853
ALA B 854
ASP B 850
1.37A10.14
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.
3KEE_B_30BB500_2
(GENOME POLYPROTEIN)		6ack SPIKE GLYCOPROTEIN
(SARSr-CoV)		3 / 3
PHE A 187
TYR A 252
LEU A  58
1.25A10.14
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.
3KEE_A_30BA500_1
(GENOME POLYPROTEIN)		6crx SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
GLY A  39
GLY A 199
PHE A 185
ALA A  90
ALA A  91
1.25A9.63
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.
3KEE_D_30BD500_1
(GENOME POLYPROTEIN)		6crx SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
GLY A  39
GLY A 199
PHE A 185
ALA A  90
ALA A  91
1.26A9.63
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.
3KEE_B_30BB500_2
(GENOME POLYPROTEIN)		6cs2 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		3 / 3
PHE B 379
TYR B 383
LEU B 374
1.15A9.63
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.
3KEE_B_30BB500_1
(GENOME POLYPROTEIN)		6cs2 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
GLY C1041
ASP C 849
VAL C 860
ALA C 853
ALA C 857
1.23A9.63
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.
3KEE_B_30BB500_2
(GENOME POLYPROTEIN)		6cs2 ACE2
(Homo
sapiens)		3 / 3
PHE D 356
TYR D 381
LEU D 359
0.87A13.16
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.
3KEE_C_30BC500_1
(GENOME POLYPROTEIN)		6cs2 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
GLY C1041
ASP C 849
VAL C 860
ALA C 853
ALA C 857
1.25A9.63
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.
3KEE_B_30BB500_2
(GENOME POLYPROTEIN)		6m17 ACE2
(Homo
sapiens)		3 / 3
PHE D 356
TYR D 381
LEU D 359
1.14A11.30
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.
3KEE_A_30BA500_1
(GENOME POLYPROTEIN)		6m18 SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		5 / 12
GLY A 438
GLY A 115
SER A 118
ALA A 282
ALA A 498
1.36A14.05
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.
3KEE_B_30BB500_1
(GENOME POLYPROTEIN)		6m18 SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		5 / 12
VAL C 207
GLY C 428
SER C 430
PHE C 433
ALA C 222
1.32A14.05
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.
3KEE_C_30BC500_1
(GENOME POLYPROTEIN)		6m18 ACE2
(Homo
sapiens)		5 / 12
HIS B 417
ASP B 543
VAL B 293
GLY B 422
SER B 420
1.44A11.30
NAG  B 910 ( 4.6A)
NAG  B 910 ( 4.9A)
None
None
NAG  B 910 (-3.3A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KEE_C_30BC500_1
(GENOME POLYPROTEIN)		6m18 SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		5 / 12
VAL C 207
GLY C 428
SER C 430
PHE C 433
ALA C 222
1.30A14.05
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.
3KEE_D_30BD500_1
(GENOME POLYPROTEIN)		6m18 SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		5 / 12
GLY A 438
GLY A 115
SER A 118
ALA A 282
ALA A 498
1.35A14.05
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.
3KEE_A_30BA500_2
(GENOME POLYPROTEIN)		6nb6 SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 4
GLN C 769
PHE C 870
TYR C 855
VAL A1050
1.67A10.06
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.
3KEE_B_30BB500_2
(GENOME POLYPROTEIN)		6nb8 S230 ANTIGEN-BINDING
(FAB) FRAGMENT,
HEAVY CHAIN
(Homo
sapiens)		3 / 3
PHE H  59
TYR H 106
LEU H  48
1.25A24.18
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.
3KEE_D_30BD500_2
(GENOME POLYPROTEIN)		6nur NSP12
(SARSr-CoV)		4 / 4
PHE A 326
TYR A 273
VAL A 662
LEU A 663
1.75A11.95
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.
3KEE_C_30BC500_1
(GENOME POLYPROTEIN)		6vw1 ACE2
(Homo
sapiens)		5 / 12
HIS A 417
ASP A 543
VAL A 293
GLY A 422
SER A 420
1.49A15.24
None
None
None
None
NAG  A 707 (-3.8A)
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.
3KEE_D_30BD500_1
(GENOME POLYPROTEIN)		6vw1 ACE2
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		5 / 12
GLN B 325
GLY B 326
GLY F 502
ALA B 386
ASP B 382
1.45A15.24
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KEE_B_30BB500_2
(GENOME POLYPROTEIN)		6vw1 SPIKE GLYCOPROTEIN
(SARS-CoV-2)		3 / 3
PHE E 515
TYR E 380
LEU E 518
1.37A21.74
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.
3KEE_B_30BB500_2
(GENOME POLYPROTEIN)		6w41 CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		3 / 3
PHE L  71
TYR L  92
LEU L  47
0.80A20.66
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.
3KEE_B_30BB500_2
(GENOME POLYPROTEIN)		6w41 CR3022 FAB HEAVY
CHAIN
CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		3 / 3
PHE H 166
TYR L 173
LEU H 170
1.39A20.32
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KEE_B_30BB500_2
(GENOME POLYPROTEIN)		6yla HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		3 / 3
PHE H 170
TYR L 179
LEU H 174
1.40A
None
None
MLI  H 304 (-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.
3KEE_B_30BB500_2
(GENOME POLYPROTEIN)		6yla LIGHT CHAIN
(Homo
sapiens)		3 / 3
PHE C  77
TYR C  98
LEU C  53
0.72A
None
DMS  C 303 (-3.8A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KEE_B_30BB500_2
(GENOME POLYPROTEIN)		6yla LIGHT CHAIN
(Homo
sapiens)		3 / 3
PHE L  77
TYR L  98
LEU L  53
0.68A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KEE_B_30BB500_2
(GENOME POLYPROTEIN)		6ym0 LIGHT CHAIN
(Homo
sapiens)		3 / 3
PHE L  77
TYR L  98
LEU L  53
0.70A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KEE_B_30BB500_2
(GENOME POLYPROTEIN)		6yor IGG H CHAIN
IGG L CHAIN
(Homo
sapiens)		3 / 3
PHE B 170
TYR C 179
LEU B 174
1.41A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KEE_B_30BB500_2
(GENOME POLYPROTEIN)		6yor IGG L CHAIN
(Homo
sapiens)		3 / 3
PHE L  77
TYR L  98
LEU L  53
0.69A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KEE_B_30BB500_2
(GENOME POLYPROTEIN)		6yor IGG L CHAIN
(Homo
sapiens)		3 / 3
PHE C  77
TYR C  98
LEU C  53
0.69A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KEE_B_30BB500_2
(GENOME POLYPROTEIN)		6yor IGG H CHAIN
IGG L CHAIN
(Homo
sapiens)		3 / 3
PHE H 170
TYR L 179
LEU H 174
1.41A
None