Ligand ID: 1X9


Drugbank ID:
DB01034
(Cerulenin)


Indication:
For use as a biochemical tool, Cerulenin is shown to cause dramatic weight loss in animals

Get human targets for 1X9 in PDB (known and potential targets)

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND '1X9' 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.
4LS7_A_1X9A504_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		1wof 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
GLY A  11
GLU A  14
PHE A 150
GLY B 124
PHE A   8
1.45A23.23
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.
4LS7_A_1X9A504_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		1x7q BETA-2-MICROGLOBULIN
HLA, A-11
(Homo
sapiens)		6 / 12
GLY A 207
ALA A 205
SER B  11
THR A 190
HIS A 188
LEU A 206
1.79A20.85
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.
4LS7_A_1X9A504_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		2a5k 3C-LIKE PEPTIDASE
(SARSr-CoV)		5 / 12
GLY A  11
GLU A  14
PHE A 150
GLY B 124
PHE A   8
1.41A22.99
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.
4LS7_B_1X9B503_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		2ahm REPLICASE
POLYPROTEIN 1AB,
HEAVY CHAIN
REPLICASE
POLYPROTEIN 1AB,
LIGHT CHAIN
(SARSr-CoV)		5 / 12
ILE H 111
PHE H  97
THR H  89
LEU D  64
GLY D  69
1.55A19.06
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.
4LS7_B_1X9B503_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		2d2d 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
ILE A 281
ALA A 210
SER A 284
THR A 111
PHE A   3
1.62A23.23
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.
4LS7_A_1X9A504_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		2jw8 NUCLEOCAPSID PROTEIN
(SARSr-CoV)		5 / 12
GLY B 322
PHE A 308
LEU A 354
GLY B 317
PHE B 316
1.49A15.49
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.
4LS7_B_1X9B503_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		2kaf NSP3
(SARSr-CoV)		5 / 12
PHE A  50
HIS A   5
THR A   9
LEU A  59
GLY A   1
1.64A10.61
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.
4LS7_A_1X9A504_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		2kaf NSP3
(SARSr-CoV)		5 / 12
PHE A  50
HIS A   5
THR A   9
LEU A  59
GLY A   1
1.65A10.61
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.
4LS7_A_1X9A504_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		2ofz NUCLEOCAPSID PROTEIN
(SARS-COV
Tor2)		5 / 12
GLY A  86
ALA A 135
SER A  79
THR A 166
GLY A  70
1.41A17.29
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.
4LS7_B_1X9B503_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		2op9 REPLICASE
POLYPROTEIN 1AB
(PP1AB, ORF1AB)
3C-LIKE PROTEINASE
(3CL-PRO, 3CLP)
(SARSr-CoV)		5 / 12
SER B 301
HIS A 172
LEU A 141
GLY B   2
PHE B   3
1.33A22.02
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.
4LS7_A_1X9A504_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		2op9 REPLICASE
POLYPROTEIN 1AB
(PP1AB, ORF1AB)
3C-LIKE PROTEINASE
(3CL-PRO, 3CLP)
(SARSr-CoV)		5 / 12
SER B 301
HIS A 172
LEU A 141
GLY B   2
PHE B   3
1.35A22.02
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.
4LS7_A_1X9A504_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		2pwx 3C-LIKE PROTEINASE
(SARS-COV
BJ01)		5 / 12
GLY A 143
CYH A 145
HIS A 164
HIS A  41
GLY A 146
1.39A23.39
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.
4LS7_B_1X9B503_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		2q6g POLYPEPTIDE CHAIN
REPLICASE
POLYPROTEIN 1AB
(SARS-COV
BJ01)		5 / 12
CYH B 145
THR B 175
HIS B 164
LEU D   5
GLY B 146
1.63A22.58
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.
4LS7_A_1X9A504_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		2q6g POLYPEPTIDE CHAIN
REPLICASE
POLYPROTEIN 1AB
(SARS-COV
BJ01)		5 / 12
CYH B 145
THR B 175
HIS B 164
LEU D   5
GLY B 146
1.63A22.58
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.
4LS7_B_1X9B503_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		2qc2 3C-LIKE PROTEINASE
(-)		5 / 12
ILE A  43
CYH A  38
PHE A  66
LEU A  87
GLY A  29
1.63A23.39
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.
4LS7_A_1X9A504_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		2qc2 3C-LIKE PROTEINASE
(-)		5 / 12
GLY A  11
GLU A  14
PHE A 150
GLY B 124
PHE A   8
1.51A23.39
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.
4LS7_A_1X9A504_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		2qcy 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
GLY A 143
CYH A 145
HIS A 164
HIS A  41
GLY A 146
1.36A21.43
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.
4LS7_A_1X9A504_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		2vj1 MAIN PROTEINASE
(SARSr-CoV)		5 / 12
GLY B 143
CYH B 145
HIS B 164
HIS B  41
GLY B 146
1.41A22.95
XP1  B1304 (-3.8A)
XP1  B1304 (-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.
4LS7_A_1X9A504_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		2w2g NSP3
(SARSr-CoV)		5 / 12
GLY B 491
ALA B 493
SER B 652
THR B 467
GLY A 465
1.46A20.19
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.
4LS7_B_1X9B503_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		3avz 3C-LIKE PROTEINASE
PEPTIDE
ACE-SER-ALA-VAL-ALC-
HIS-H
(SARSr-CoV)		5 / 12
ILE A 188
SER B   2
HIS A 163
GLY A 174
PHE A 185
1.50A22.58
None
ACE  B   1 ( 4.5A)
HSV  B   6 (-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.
4LS7_A_1X9A504_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		3aw1 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
GLY A  11
GLU A  14
PHE A 150
GLY B 124
PHE A   8
1.44A22.58
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.
4LS7_A_1X9A504_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		3ea7 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
GLY A  11
GLU A  14
PHE A 150
GLY B 124
PHE A   8
1.45A22.35
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LS7_B_1X9B503_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		3ea7 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
ILE A  43
CYH A  38
PHE A  66
LEU A  87
GLY A  29
1.61A22.35
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LS7_A_1X9A504_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		3ee7 REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		5 / 12
SER C  35
PHE C  40
THR C  67
LEU C  42
GLY C  93
1.57A14.51
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LS7_B_1X9B503_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		3ee7 REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		5 / 12
SER C  35
PHE C  40
THR C  67
LEU C  42
GLY C  93
1.58A14.51
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LS7_A_1X9A504_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		3f9e 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
GLY A 143
CYH A 145
HIS A 164
HIS A  41
GLY A 146
1.43A22.88
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LS7_A_1X9A504_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		3f9f 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
GLY B  11
GLU B  14
PHE B 150
GLY A 124
PHE B   8
1.43A22.94
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.
4LS7_B_1X9B503_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		3f9h 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
ILE B  43
CYH B  38
PHE B  66
LEU B  87
GLY B  29
1.66A22.94
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.
4LS7_A_1X9A504_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		3i6l BETA-2-MICROGLOBULIN
HLA, A-24
(Homo
sapiens)		6 / 12
GLY D 207
ALA D 205
SER E  11
THR D 190
HIS D 188
LEU D 206
1.79A18.96
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LS7_B_1X9B503_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		3iwm 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
CYH C  38
PHE C  66
THR C  35
LEU C  87
GLY C  29
1.51A22.58
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.
4LS7_A_1X9A504_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		3m3s 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
GLY A  11
GLU A  14
PHE A 150
GLY B 124
PHE A   8
1.47A22.58
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.
4LS7_A_1X9A504_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		3m3t 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
GLY A 143
CYH A 145
HIS A 164
HIS A  41
GLY A 146
1.33A22.25
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.
4LS7_B_1X9B503_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		3m3t 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
MET A 130
ILE A 136
PHE A 185
LEU A 167
GLY A 195
1.52A22.25
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.
4LS7_B_1X9B503_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		3m3v 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
ILE B  43
CYH B  38
PHE B  66
LEU B  87
GLY B  29
1.60A23.17
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.
4LS7_A_1X9A504_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		3m3v 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
GLY B  11
GLU B  14
PHE B 150
GLY A 124
PHE B   8
1.40A23.17
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.
4LS7_A_1X9A504_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		3vb5 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
GLY B  11
GLU B  14
PHE B 150
GLY A 124
PHE B   8
1.43A22.58
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.
4LS7_A_1X9A504_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		4m0w REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		5 / 12
GLY A 164
SER A 156
THR A  91
LEU A 114
GLY A 161
1.65A21.18
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.
4LS7_A_1X9A504_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		4mm3 PAPAIN-LIKE
PROTEINASE
(SARSr-CoV)		5 / 12
GLY B 164
SER B 156
THR B  91
LEU B 114
GLY B 161
1.60A22.37
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.
4LS7_B_1X9B503_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		5c8s GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		5 / 12
ILE D 363
ALA D 353
THR D 372
HIS D 373
LEU D 366
1.59A23.77
None
SAH  D 605 (-3.3A)
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.
4LS7_B_1X9B503_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		5c8t GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		5 / 12
ILE B 363
ALA B 353
THR B 372
HIS B 373
LEU B 366
1.60A23.91
None
SAM  B 605 (-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.
4LS7_A_1X9A504_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		5c8u GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		5 / 12
GLY B 333
ALA B 353
THR B 372
HIS B 373
PHE B 367
1.60A23.91
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.
4LS7_A_1X9A504_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		5e6j REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
GLY D 164
SER D 156
THR D  91
LEU D 114
GLY D 161
1.59A22.37
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.
4LS7_B_1X9B503_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)		5 / 12
ALA D 504
THR D 428
LEU D 409
GLY D 505
PHE D 506
1.62A24.60
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.
4LS7_A_1X9A504_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		5tl6 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
GLY D 164
SER D 156
THR D  91
LEU D 114
GLY D 161
1.57A22.83
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.
4LS7_A_1X9A504_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		5 / 12
GLY B 839
SER A 556
PHE A 558
THR A 535
GLY B 726
1.19A16.60
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.
4LS7_A_1X9A504_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		5xlr SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
GLY C 839
SER A 556
PHE A 558
THR A 535
GLY C 726
1.67A16.47
GLY  C 839 ( 0.0A)
SER  A 556 ( 0.0A)
PHE  A 558 ( 1.3A)
THR  A 535 ( 0.8A)
GLY  C 726 ( 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.
4LS7_B_1X9B503_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		5xlr SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
ILE A 687
ALA C 874
SER C 861
GLY C 871
PHE C 870
1.70A16.47
ILE  A 687 ( 0.7A)
ALA  C 874 ( 0.0A)
SER  C 861 ( 0.0A)
GLY  C 871 ( 0.0A)
PHE  C 870 ( 1.3A)
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.
4LS7_A_1X9A504_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		5y3e REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		5 / 12
GLY A 164
SER A 156
THR A  91
LEU A 114
GLY A 161
1.61A22.37
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.
4LS7_B_1X9B503_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		6acg SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
ILE A 979
THR B 988
LEU A 983
GLY B 981
PHE B 952
1.18A16.47
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LS7_A_1X9A504_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		6ack SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
PHE A 741
THR B 988
LEU A 983
GLY B 981
PHE B 952
1.60A16.47
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LS7_B_1X9B503_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		6crv SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
MET C 882
ILE B 694
ALA C 866
SER B 690
GLY C 862
1.56A17.06
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.
4LS7_B_1X9B503_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		6crx SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
ILE A 979
THR C 988
LEU A 983
GLY C 981
PHE C 952
1.22A17.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LS7_A_1X9A504_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		6crz SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
GLY A 839
SER C 556
PHE C 558
THR C 535
GLY A 726
1.31A17.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LS7_A_1X9A504_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		6m17 SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		5 / 12
GLY C 113
ALA C 601
SER C 504
HIS C 108
LEU C 111
1.51A20.40
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.
4LS7_A_1X9A504_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		6m1d ACE2
(Homo
sapiens)		5 / 12
GLY D 422
PHE D 369
THR D 414
LEU D 423
PHE D 314
1.56A19.73
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.
4LS7_B_1X9B503_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		6m1d SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		5 / 12
ILE A 107
SER A 504
THR A 596
LEU A 111
GLY A 115
1.66A20.40
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.
4LS7_B_1X9B503_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		6nb6 SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
MET C 884
ALA C 864
PHE C1034
THR C 856
GLY C 862
1.68A15.86
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LS7_A_1X9A504_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		6nb6 SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
GLY A 839
SER B 556
PHE B 558
THR B 535
GLY A 726
1.17A15.86
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LS7_A_1X9A504_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		6nur NSP12
(SARSr-CoV)		5 / 12
GLU A 254
PHE A 317
THR A 246
LEU A 251
PHE A 287
1.52A18.29
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.
4LS7_B_1X9B503_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		6nus NSP12
(SARSr-CoV)		5 / 12
ILE A 837
ALA A 863
PHE A 419
LEU A 883
PHE A 859
1.35A18.29
None