Ligand ID: CTY


Drugbank ID:
DB01211
(Clarithromycin)


Indication:
An alternative medication for the treatment of acute otitis media caused by H. influenzae, M. catarrhalis, or S. pneumoniae in patients with a history of type I penicillin hypersensitivity. Also for the treatment of pharyngitis and tonsillitis caused by susceptible Streptococcus pyogenes, as well as respiratory tract infections including acute maxillary sinusitis, acute bacterial exacerbations of chronic bronchitis, mild to moderate community-acquired pneuomia, Legionnaires' disease, and pertussis. Other indications include treatment of uncomplicated skin or skin structure infections, helicobacter pylori infection, duodenal ulcer disease, bartonella infections, early Lyme disease, and encephalitis caused by Toxoplasma gondii (in HIV infected patients in conjunction with pyrimethamine). Clarithromycin may also decrease the incidence of cryptosporidiosis, prevent the occurence of α-hemolytic (viridans group) streptococcal endocarditis, as well as serve as a primary prevention for Mycobacterium avium complex (MAC) bacteremia or disseminated infections (in adults, adolescents, and children with advanced HIV infection).

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

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'CTY' 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.
5IGJ_A_CTYA402_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		1q2w 3C-LIKE PROTEASE
(SARSr-CoV)		6 / 12
TYR B  37
VAL B  36
GLU B 178
MET B  17
VAL B  18
GLY B 149
1.77A21.83
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.
5IGW_A_CTYA404_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E II)		1uj1 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
ILE B 136
TYR B 161
HIS B 163
SER B 123
PHE B 140
1.45A20.42
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.
5IGJ_A_CTYA402_2
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		1x7q BETA-2-MICROGLOBULIN
HLA, A-11
(Homo
sapiens)		4 / 5
PRO A 185
HIS A 188
LEU A 230
TYR B  10
1.55A19.82
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IGJ_A_CTYA402_2
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		1z1i 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 5
PRO A 132
HIS A 246
LEU A 208
PHE A 294
1.56A21.97
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.
5IGJ_A_CTYA402_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		1z1j 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
ILE B1249
VAL B1297
GLU B1288
ALA B1211
ALA B1210
1.38A21.97
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.
5IGW_A_CTYA404_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E II)		2ajf ACE2
(Homo
sapiens)		5 / 12
ILE B 421
GLY B 422
ASP B 543
HIS B 417
ILE B 291
1.79A19.33
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IGJ_A_CTYA402_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		2alv REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		6 / 12
TYR A  37
VAL A  36
GLU A 178
MET A  17
VAL A  18
GLY A 149
1.80A21.37
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.
5IGW_A_CTYA404_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E II)		2cjr NUCLEOCAPSID PROTEIN
(SARS-COV
TW1)		5 / 12
GLY F 285
ARG F 263
ILE E 338
PHE F 315
TYR F 334
1.63A16.50
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IGJ_A_CTYA402_2
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		2cjr NUCLEOCAPSID PROTEIN
(SARS-COV
TW1)		4 / 5
PRO E 259
LEU F 354
TYR E 334
PHE F 315
1.73A16.61
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.
5IGJ_A_CTYA402_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		2d2d 3C-LIKE PROTEINASE
(SARSr-CoV)		6 / 12
TYR A  37
VAL A  36
GLU A 178
MET A  17
VAL A  18
GLY A 149
1.72A21.81
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.
5IGJ_A_CTYA402_2
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		2fe8 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 5
PRO A 248
LEU A 174
TYR A 306
PHE A 259
1.70A20.47
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.
5IGJ_A_CTYA402_2
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		2ga6 ORF1A POLYPROTEIN
(SARSr-CoV)		4 / 5
PRO T 107
HIS S  48
LEU T  45
TYR S  96
1.74A18.64
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.
5IGJ_A_CTYA402_2
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		2ghw ANTI-SCFV ANTIBODY,
80R
(Homo
sapiens)		4 / 5
PRO D 172
LEU D 153
TYR D 168
PHE D 230
1.67A19.00
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.
5IGJ_A_CTYA402_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		2gz8 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		6 / 12
TYR A  37
VAL A  36
GLU A 178
MET A  17
VAL A  18
GLY A 149
1.75A21.97
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.
5IGJ_A_CTYA402_2
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		2h85 PUTATIVE ORF1AB
POLYPROTEIN
(SARSr-CoV)		4 / 5
PRO A 343
LEU A 200
TYR A 237
PHE A 221
1.69A21.10
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.
5IGW_A_CTYA404_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E II)		2jzd REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
ILE A 608
TYR A 583
HIS A 613
GLU A 619
TYR A 644
1.69A16.83
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.
5IGW_A_CTYA404_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E II)		2jzf REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
GLY A 609
GLU A 601
ILE A 549
PHE A 581
TYR A 583
1.46A18.36
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.
5IGJ_A_CTYA402_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		2op9 REPLICASE
POLYPROTEIN 1AB
(PP1AB, ORF1AB)
3C-LIKE PROTEINASE
(3CL-PRO, 3CLP)
(SARSr-CoV)		6 / 12
TYR B  37
VAL B  36
GLU B 178
MET B  17
VAL B  18
GLY B 149
1.79A19.09
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.
5IGJ_A_CTYA402_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		2pwx 3C-LIKE PROTEINASE
(SARS-COV
BJ01)		6 / 12
TYR A  37
VAL A  36
GLU A 178
MET A  17
VAL A  18
GLY A 149
1.80A22.22
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.
5IGJ_A_CTYA402_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		2q6g REPLICASE
POLYPROTEIN 1AB
(SARS-COV
BJ01)		5 / 12
ILE B 106
ASP B 197
ALA B 193
ALA B 194
GLY B 170
1.24A21.97
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.
5IGJ_A_CTYA402_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		2qc2 3C-LIKE PROTEINASE
(-)		6 / 12
TYR A  37
VAL A  36
GLU A 178
MET A  17
VAL A  18
GLY A 149
1.74A21.10
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.
5IGJ_A_CTYA402_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		2qcy 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
ILE A 249
VAL A 297
GLU A 290
ALA A 211
ALA A 210
1.41A22.25
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.
5IGJ_A_CTYA402_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		2qiq REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		6 / 12
TYR A  37
VAL A  36
GLU A 178
MET A  17
VAL A  18
GLY A 149
1.76A18.54
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IGJ_A_CTYA402_2
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		2rhb URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		4 / 5
PRO A 343
LEU A 299
TYR A 193
PHE A 194
1.74A20.88
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.
5IGJ_A_CTYA402_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		2vj1 MAIN PROTEINASE
(SARSr-CoV)		6 / 12
TYR A  37
VAL A  36
GLU A 178
MET A  17
VAL A  18
GLY A 149
1.78A21.37
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.
5IGJ_A_CTYA402_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		2w2g NSP3
(SARSr-CoV)		5 / 12
VAL B 478
ALA B 474
VAL B 457
GLY B 466
THR B 467
1.43A20.30
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.
5IGJ_A_CTYA402_2
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		2w2g NSP3
(SARSr-CoV)		4 / 5
PRO B 442
HIS A 613
LEU A 533
PHE A 581
1.44A20.30
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.
5IGJ_A_CTYA402_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		3aw1 3C-LIKE PROTEINASE
(SARSr-CoV)		6 / 12
TYR B  37
VAL B  36
GLU B 178
MET B  17
VAL B  18
GLY B 149
1.80A21.68
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.
5IGW_A_CTYA404_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E II)		3bgf F26G19 FAB
SPIKE PROTEIN S1
(Mus
musculus;
SARSr-CoV)		5 / 12
ILE S 489
GLY S 490
HIS H  35
SER L  34
TYR L  32
1.74A20.52
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IGJ_A_CTYA402_2
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		3d62 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 5
PRO A 132
HIS A 246
LEU A 208
PHE A 294
1.67A18.54
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IGJ_A_CTYA402_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		3e91 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
MET B 264
ILE B 259
ALA B 286
VAL B 204
GLY B 283
1.42A22.25
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.
5IGJ_A_CTYA402_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		3eaj 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
MET A 264
ILE A 259
ALA A 286
VAL A 204
GLY A 283
1.42A22.25
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.
5IGJ_A_CTYA402_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		3ebn REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
ILE C 249
VAL C 297
GLU C 290
ALA A 211
ALA A 210
1.37A16.89
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.
5IGJ_A_CTYA402_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		3f9e 3C-LIKE PROTEINASE
(SARSr-CoV)		6 / 12
TYR A  37
VAL A  36
GLU A 178
MET A  17
VAL A  18
GLY A 149
1.78A21.10
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.
5IGJ_A_CTYA402_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		3f9h 3C-LIKE PROTEINASE
(SARSr-CoV)		6 / 12
TYR B  37
VAL B  36
GLU B 178
MET B  17
VAL B  18
GLY B 149
1.72A21.39
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.
5IGJ_A_CTYA402_2
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		3i6k BETA-2-MICROGLOBULIN
HLA, A-2
(Homo
sapiens)		4 / 5
PRO E 185
HIS E 188
LEU E 230
TYR F  10
1.67A20.25
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.
5IGJ_A_CTYA402_2
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		3i6l BETA-2-MICROGLOBULIN
HLA, A-24
(Homo
sapiens)		4 / 5
PRO D 185
HIS D 188
LEU D 230
TYR E  10
1.72A19.50
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IGJ_A_CTYA402_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		3m3s 3C-LIKE PROTEINASE
(SARSr-CoV)		6 / 12
TYR A  37
VAL A  36
GLU A 178
MET A  17
VAL A  18
GLY A 149
1.75A21.68
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.
5IGJ_A_CTYA402_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		3m3t 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
ILE A 249
VAL A 297
GLU A 290
ALA A 211
ALA A 210
1.29A21.68
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.
5IGJ_A_CTYA402_2
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		3mj5 REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		4 / 5
PRO A 248
LEU A 174
TYR A 306
PHE A 259
1.65A21.36
GRM  A 801 ( 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.
5IGW_A_CTYA404_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E II)		3sci ACE2
(Homo
sapiens)		5 / 12
ILE A 421
GLY A 422
ASP A 543
HIS A 417
ILE A 291
1.65A19.33
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IGW_A_CTYA404_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E II)		3sck ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 12
ILE A 421
GLY A 422
ASP A 543
HIS A 417
ILE A 291
1.73A19.54
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IGJ_A_CTYA402_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		4hi3 3C-LIKE PROTEINASE
(SARSr-CoV)		6 / 12
TYR A  37
VAL A  36
GLU A 178
MET A  17
VAL A  18
GLY A 149
1.78A22.41
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.
5IGJ_A_CTYA402_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		5b6o 3C-LIKE PROTEINASE
(SARSr-CoV)		6 / 12
TYR A  37
VAL A  36
GLU A 178
MET A  17
VAL A  18
GLY A 149
1.69A21.78
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.
5IGJ_A_CTYA402_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		5x58 SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		5 / 12
GLU C 755
ALA C1007
ALA C1008
MET C1011
GLY C1041
1.23A12.74
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.
5IGW_A_CTYA404_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E II)		5x59 S PROTEIN
(MERS-CoV)		5 / 12
ILE B 985
GLY C 963
ILE B1123
PHE B 786
TYR B1141
1.64A12.41
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.
5IGJ_A_CTYA402_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		5x59 S PROTEIN
(MERS-CoV)		5 / 12
ILE B 768
ALA C 962
VAL C 958
GLY B 984
THR B 986
1.40A11.50
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IGJ_A_CTYA402_2
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		5x59 S PROTEIN
(MERS-CoV)		4 / 5
PRO B 485
LEU B 411
TYR B 445
PHE B 446
1.80A11.50
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IGW_A_CTYA404_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E II)		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		5 / 12
GLY A 682
TYR B 855
ASP B 757
ILE A 656
TYR A 677
1.53A12.81
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.
5IGJ_A_CTYA402_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		6acc SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
VAL C 583
ALA C 639
ALA C 595
VAL C 594
GLY C 625
1.36A12.69
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.
5IGJ_A_CTYA402_2
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		6acd SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 5
PRO B 218
LEU B  58
TYR B  88
PHE B  89
1.68A12.69
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IGW_A_CTYA404_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E II)		6acd SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
ASP B 208
HIS B  33
ARG B  38
ILE B 203
PHE B 179
1.66A12.81
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.
5IGJ_A_CTYA402_2
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		6acg ACE2
(Homo
sapiens)		4 / 5
PRO D 336
HIS D 345
LEU D 351
TYR D  50
1.69A18.50
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IGW_A_CTYA404_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E II)		6crv SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
ASP A 208
HIS A  33
ARG A  38
ILE A 203
PHE A 179
1.73A12.63
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.
5IGJ_A_CTYA402_2
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		6crv SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 5
PRO C 218
LEU C  58
TYR C  88
PHE C  89
1.76A12.74
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.
5IGJ_A_CTYA402_2
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		6crw SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 5
PRO C 218
LEU C  58
TYR C  88
PHE C  89
1.69A12.74
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.
5IGJ_A_CTYA402_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		6crx SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
VAL B 583
ALA B 639
ALA B 595
VAL B 594
GLY B 625
1.38A12.74
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.
5IGW_A_CTYA404_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E II)		6cs2 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
ILE C 656
GLY C 653
ASP C 643
HIS C 641
MET A 851
1.63A12.51
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.
5IGJ_A_CTYA402_2
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		6iex BETA-2-MICROGLOBULIN
MHC CLASS I ANTIGEN
(Homo
sapiens)		4 / 5
PRO A  43
HIS A   9
LEU B  64
PHE A  33
1.30A20.62
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IGJ_A_CTYA402_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		6jyt HELICASE
(SARSr-CoV)		6 / 12
ILE A 370
ASP A 374
TYR A 306
GLU A 375
ALA A 321
THR A 286
1.70A18.65
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.
5IGW_A_CTYA404_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E II)		6jyt HELICASE
(SARSr-CoV)		5 / 12
ILE A 304
TYR A 355
SER A 259
ILE A 258
TYR A 269
1.67A16.86
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.
5IGW_A_CTYA404_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E II)		6m1d ACE2
(Homo
sapiens)		5 / 12
GLY D 399
TYR D 521
ASP D 225
GLU D 224
SER D 218
1.47A16.63
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.
5IGJ_A_CTYA402_2
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		6nb6 SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 5
PRO C 218
LEU C  58
TYR C  88
PHE C  89
1.75A12.25
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.
5IGJ_A_CTYA402_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		6nb6 SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
VAL B 583
ALA B 639
ALA B 595
VAL B 594
GLY B 625
1.43A12.25
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.
5IGW_A_CTYA404_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E II)		6nb7 SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
GLY B 682
TYR A 855
ASP A 757
ILE B 656
TYR B 677
1.70A12.88
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.
5IGJ_A_CTYA402_2
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		6nb8 S230 ANTIGEN-BINDING
(FAB) FRAGMENT,
HEAVY CHAIN
S230 ANTIGEN-BINDING
(FAB) FRAGMENT,
LIGHT CHAIN
(Homo
sapiens)		4 / 5
PRO L  49
HIS H  35
LEU L  29
TYR L  54
1.49A21.36
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.
5IGJ_A_CTYA402_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		6nb8 S230 ANTIGEN-BINDING
(FAB) FRAGMENT,
HEAVY CHAIN
(Homo
sapiens)		5 / 12
ILE H  70
ASP H  90
GLU H  89
GLY H  44
THR H  43
1.42A19.57
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.
5IGJ_A_CTYA402_2
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		6nur NSP12
(SARSr-CoV)		4 / 5
PRO A 328
HIS A 381
LEU A 527
PHE A 340
1.78A15.24
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.
5IGW_A_CTYA404_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E II)		6w41 CR3022 FAB HEAVY
CHAIN
(Homo
sapiens)		5 / 12
ILE H  30
GLY H  28
ASP H  54
GLU H  56
ILE H  34
1.43A20.76
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IGW_A_CTYA404_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E II)		6yla HEAVY CHAIN
(Homo
sapiens)		5 / 12
ILE B  30
GLY B  28
ASP B  55
GLU B  57
ILE B  34
1.23A19.34
None
None
MLI  B 302 ( 4.1A)
MLI  B 302 (-4.4A)
None