Ligand ID: 097


Drugbank ID:
DB00786
(Marimastat)


Indication:
For the treatment of various cancers

Get human targets for 097 in PDB (known and potential targets)

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND '097' 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.
3HY7_A_097A801_1
(A DISINTEGRIN AND
METALLOPROTEINASE
WITH THROMBOSPONDIN
MOTIFS 5)		1q2w 3C-LIKE PROTEASE
(SARSr-CoV)		5 / 9
LEU B 242
THR B 201
GLU B 240
ILE B 249
LEU B 250
1.33A20.79
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HY7_A_097A801_1
(A DISINTEGRIN AND
METALLOPROTEINASE
WITH THROMBOSPONDIN
MOTIFS 5)		1uk4 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 9
LEU A 242
THR A 201
GLU A 240
ILE A 249
LEU A 250
1.30A21.14
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.
3HY7_A_097A801_1
(A DISINTEGRIN AND
METALLOPROTEINASE
WITH THROMBOSPONDIN
MOTIFS 5)		1z1j 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 9
LEU A 242
THR A 201
GLU A 240
ILE A 249
LEU A 250
1.15A21.14
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.
1R55_A_097A518_1
(ADAM 33)		1z1j 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 10
ALA A 193
HIS A 172
HIS A 163
ALA A 173
THR A 135
1.63A18.47
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.
3HY7_A_097A801_1
(A DISINTEGRIN AND
METALLOPROTEINASE
WITH THROMBOSPONDIN
MOTIFS 5)		2acf REPLICASE
POLYPROTEIN 1AB
(SARS-COV
Tor2)		5 / 9
LEU A 264
HIS A 276
HIS A 227
ILE A 217
LEU A 275
1.76A20.59
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.
2JIH_B_097B1001_1
(ADAMTS-1)		2ajf ACE2
(Homo
sapiens)		4 / 8
THR B 371
HIS B 374
GLU B 375
HIS B 378
0.23A17.88
None
ZN  B 901 (-3.6A)
ZN  B 901 ( 3.7A)
ZN  B 901 (-3.5A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1R55_A_097A518_1
(ADAM 33)		2alv REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 10
ALA A 193
HIS A 172
HIS A 163
ALA A 173
THR A 135
1.65A18.47
None
CY6  A1145 (-4.2A)
CY6  A1145 (-3.8A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HY7_A_097A801_1
(A DISINTEGRIN AND
METALLOPROTEINASE
WITH THROMBOSPONDIN
MOTIFS 5)		2alv REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 9
LEU A 242
THR A 201
GLU A 240
ILE A 249
LEU A 250
1.30A21.14
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.
3HY7_A_097A801_1
(A DISINTEGRIN AND
METALLOPROTEINASE
WITH THROMBOSPONDIN
MOTIFS 5)		2amd 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 9
LEU A 242
THR A 201
GLU A 240
ILE A 249
LEU A 250
1.27A21.14
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.
1R55_A_097A518_1
(ADAM 33)		2dd8 IGG HEAVY CHAIN
(Homo
sapiens)		5 / 10
ALA H  57
THR H  52
THR H  75
ALA H  78
THR H  71
1.55A20.33
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.
3HY7_A_097A801_1
(A DISINTEGRIN AND
METALLOPROTEINASE
WITH THROMBOSPONDIN
MOTIFS 5)		2fav REPLICASE
POLYPROTEIN 1AB
(PP1AB) (ORF1AB)
(SARSr-CoV)		5 / 9
LEU B  83
HIS B  95
HIS B  46
ILE B  36
LEU B  94
1.74A20.00
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.
2JIH_B_097B1001_1
(ADAMTS-1)		2gdt NSP1 (EC 3.4.22.-)
P65 HOMOLOG
LEADER PROTEIN
(SARSr)		4 / 8
ASP A  64
LEU A  66
THR A  68
HIS A  70
1.41A17.99
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.
2JIH_B_097B1001_1
(ADAMTS-1)		2gdt NSP1 (EC 3.4.22.-)
P65 HOMOLOG
LEADER PROTEIN
(SARSr)		4 / 8
ASP A  64
LEU A  66
THR A  68
HIS A   2
1.39A17.99
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.
2JIH_A_097A1001_1
(ADAMTS-1)		2gt8 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 9
ASP A 248
LEU A 242
THR A 201
GLU A 240
LEU A 205
1.56A21.35
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.
3HY7_A_097A801_1
(A DISINTEGRIN AND
METALLOPROTEINASE
WITH THROMBOSPONDIN
MOTIFS 5)		2gtb 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 9
ASP A 248
LEU A 242
THR A 201
GLU A 240
LEU A 250
1.42A21.19
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.
2JIH_B_097B1001_1
(ADAMTS-1)		2gtb 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 8
LEU A 242
THR A 201
GLU A 240
LEU A 205
1.29A21.35
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.
2JIH_B_097B1001_1
(ADAMTS-1)		2k7x REPLICASE
POLYPROTEIN 1AB MAIN
PROTEASE
(SARS-COV
Sino1-11)		4 / 8
LEU A 242
THR A 201
GLU A 240
LEU A 250
1.19A20.31
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HY7_A_097A801_1
(A DISINTEGRIN AND
METALLOPROTEINASE
WITH THROMBOSPONDIN
MOTIFS 5)		2k7x REPLICASE
POLYPROTEIN 1AB MAIN
PROTEASE
(SARS-COV
Sino1-11)		5 / 9
LEU A 242
THR A 201
GLU A 240
ILE A 249
LEU A 250
1.32A23.01
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2JIH_B_097B1001_1
(ADAMTS-1)		2k87 NSP3 OF REPLICASE
POLYPROTEIN 1A
(SARSr)		4 / 8
ASP A   8
LEU A  80
HIS A  88
LEU A  58
1.48A15.56
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2JIH_A_097A1001_1
(ADAMTS-1)		2liz 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 9
ASP A 245
LEU A 242
THR A 201
GLU A 240
LEU A 250
1.76A20.31
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HY7_A_097A801_1
(A DISINTEGRIN AND
METALLOPROTEINASE
WITH THROMBOSPONDIN
MOTIFS 5)		2op9 REPLICASE
POLYPROTEIN 1AB
(PP1AB, ORF1AB)
3C-LIKE PROTEINASE
(3CL-PRO, 3CLP)
(SARSr-CoV)		5 / 9
LEU B 242
THR B 201
GLU B 240
ILE B 249
LEU B 250
1.45A21.19
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.
1R55_A_097A518_1
(ADAM 33)		2pwx 3C-LIKE PROTEINASE
(SARS-COV
BJ01)		5 / 10
ALA A 193
HIS A 172
HIS A 163
ALA A 173
THR A 135
1.64A18.59
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.
3HY7_A_097A801_1
(A DISINTEGRIN AND
METALLOPROTEINASE
WITH THROMBOSPONDIN
MOTIFS 5)		2q6g REPLICASE
POLYPROTEIN 1AB
(SARS-COV
BJ01)		5 / 9
LEU A 242
THR A 201
GLU A 240
ILE A 249
LEU A 250
1.29A21.48
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2JIH_B_097B1001_1
(ADAMTS-1)		2qc2 3C-LIKE PROTEINASE
(-)		4 / 8
LEU A 242
THR A 201
GLU A 240
LEU A 250
1.16A21.35
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.
3HY7_A_097A801_1
(A DISINTEGRIN AND
METALLOPROTEINASE
WITH THROMBOSPONDIN
MOTIFS 5)		2qc2 3C-LIKE PROTEINASE
(-)		5 / 9
LEU A 242
THR A 201
GLU A 240
ILE A 249
LEU A 250
1.28A20.79
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1R55_A_097A518_1
(ADAM 33)		2qc2 3C-LIKE PROTEINASE
(-)		5 / 10
ALA A 193
HIS A 172
HIS A 163
ALA A 173
THR A 135
1.62A18.59
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.
3HY7_A_097A801_1
(A DISINTEGRIN AND
METALLOPROTEINASE
WITH THROMBOSPONDIN
MOTIFS 5)		2qcy 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 9
LEU A 242
THR A 201
GLU A 240
ILE A 249
LEU A 250
1.52A21.55
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1R55_A_097A518_1
(ADAM 33)		2qcy 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 10
ALA A 193
HIS A 172
HIS A 163
ALA A 173
THR A 135
1.62A18.47
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.
1R55_A_097A518_1
(ADAM 33)		2qiq REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 10
ALA A 193
HIS A 172
HIS A 163
ALA A 173
THR A 135
1.64A18.77
None
CYV  A 302 (-4.5A)
CYV  A 302 (-3.9A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HY7_A_097A801_1
(A DISINTEGRIN AND
METALLOPROTEINASE
WITH THROMBOSPONDIN
MOTIFS 5)		2vj1 MAIN PROTEINASE
(SARSr-CoV)		5 / 9
LEU A 242
THR A 201
GLU A 240
ILE A 249
LEU A 250
1.40A21.14
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1R55_A_097A518_1
(ADAM 33)		2vj1 MAIN PROTEINASE
(SARSr-CoV)		5 / 10
ALA A 193
HIS A 172
HIS A 163
ALA A 173
THR A 135
1.63A20.82
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.
1R55_A_097A518_1
(ADAM 33)		2xyr NSP10
PUTATIVE 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		5 / 10
ALA B  71
VAL A 104
HIS A  69
ALA A 107
THR A 110
1.60A20.49
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.
1R55_A_097A518_1
(ADAM 33)		2xyv NSP10
PUTATIVE 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		5 / 10
ALA B  71
VAL A 104
HIS A  69
ALA A 107
THR A 110
1.60A20.49
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.
2JIH_B_097B1001_1
(ADAMTS-1)		3aw1 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 8
LEU A 242
THR A 201
GLU A 240
LEU A 205
1.31A21.79
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HY7_A_097A801_1
(A DISINTEGRIN AND
METALLOPROTEINASE
WITH THROMBOSPONDIN
MOTIFS 5)		3aw1 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 9
LEU B 242
THR B 201
GLU B 240
ILE B 249
LEU B 250
1.45A21.14
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.
2JIH_B_097B1001_1
(ADAMTS-1)		3d0i ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		4 / 8
THR B 371
HIS B 374
GLU B 375
HIS B 378
0.25A18.18
None
ZN  B 901 (-4.4A)
ZN  B 901 (-3.3A)
ZN  B 901 (-4.0A)
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.
3HY7_A_097A801_1
(A DISINTEGRIN AND
METALLOPROTEINASE
WITH THROMBOSPONDIN
MOTIFS 5)		3d0i ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 9
ASP B 367
HIS B 374
GLU B 375
HIS B 378
LEU B 370
1.79A16.47
None
ZN  B 901 (-4.4A)
ZN  B 901 (-3.3A)
ZN  B 901 (-4.0A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1R55_A_097A518_1
(ADAM 33)		3ea7 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 10
ALA A 193
HIS A 172
HIS A 163
ALA A 173
THR A 135
1.63A19.43
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.
3HY7_A_097A801_1
(A DISINTEGRIN AND
METALLOPROTEINASE
WITH THROMBOSPONDIN
MOTIFS 5)		3ea7 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 9
LEU A 242
THR A 201
GLU A 240
ILE A 249
LEU A 250
1.40A21.14
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HY7_A_097A801_1
(A DISINTEGRIN AND
METALLOPROTEINASE
WITH THROMBOSPONDIN
MOTIFS 5)		3eaj 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 9
LEU A 242
THR A 201
GLU A 240
ILE A 249
LEU A 250
1.24A21.14
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.
2JIH_B_097B1001_1
(ADAMTS-1)		3eaj 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 8
LEU B 242
THR B 201
GLU B 240
LEU B 250
1.17A21.99
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.
2JIH_B_097B1001_1
(ADAMTS-1)		3ebn REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 8
LEU C 242
THR A 201
GLU C 240
LEU C 250
1.12A19.27
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.
3HY7_A_097A801_1
(A DISINTEGRIN AND
METALLOPROTEINASE
WITH THROMBOSPONDIN
MOTIFS 5)		3ebn REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 9
LEU C 242
THR A 201
GLU C 240
ILE C 249
LEU C 250
1.29A23.39
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.
1R55_A_097A518_1
(ADAM 33)		3f9e 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 10
ALA A 193
HIS A 172
HIS A 163
ALA A 173
THR A 135
1.62A19.11
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2JIH_A_097A1001_1
(ADAMTS-1)		3f9f 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 9
ASP A 245
LEU A 242
THR A 201
GLU A 240
LEU A 250
1.79A21.35
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.
3HY7_A_097A801_1
(A DISINTEGRIN AND
METALLOPROTEINASE
WITH THROMBOSPONDIN
MOTIFS 5)		3f9f 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 9
LEU B 242
THR B 201
GLU B 240
ILE B 249
LEU B 250
1.34A20.79
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HY7_A_097A801_1
(A DISINTEGRIN AND
METALLOPROTEINASE
WITH THROMBOSPONDIN
MOTIFS 5)		3f9g 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 9
LEU B 242
THR B 201
GLU B 240
ILE B 249
LEU B 250
1.33A20.79
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2JIH_B_097B1001_1
(ADAMTS-1)		3f9h 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 8
LEU A 242
THR A 201
GLU A 240
LEU A 205
1.30A21.35
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.
3HY7_A_097A801_1
(A DISINTEGRIN AND
METALLOPROTEINASE
WITH THROMBOSPONDIN
MOTIFS 5)		3fzd 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 9
LEU A 242
THR A 201
GLU A 240
ILE A 249
LEU A 250
1.51A21.14
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.
1R55_A_097A518_1
(ADAM 33)		3i6k HLA, A-2
MEMBRANE
GLYCOPROTEIN PEPTIDE
(Homo
sapiens;
SARS-COV
TJF)		5 / 10
ALA C   7
VAL A 152
HIS A 151
GLU A 154
ALA A 149
1.58A11.27
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.
2JIH_B_097B1001_1
(ADAMTS-1)		3iwm 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 8
LEU C 242
THR A 201
GLU C 240
LEU C 250
1.13A21.79
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1R55_A_097A518_1
(ADAM 33)		3iwm 3C-LIKE
PROTEINASE

(SARSr-CoV;
synthetic
construct)		5 / 10
ALA E   2
HIS D 172
HIS D 163
ALA D 173
THR D 135
1.56A14.29
02J  E   1 ( 3.7A)
PJE  E   5 ( 4.8A)
PJE  E   5 (-4.6A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2JIH_A_097A1001_1
(ADAMTS-1)		3iwm 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 9
ASP D 245
LEU D 242
THR B 201
GLU D 240
LEU D 250
1.72A21.79
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HY7_A_097A801_1
(A DISINTEGRIN AND
METALLOPROTEINASE
WITH THROMBOSPONDIN
MOTIFS 5)		3m3s 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 9
LEU A 242
THR A 201
GLU A 240
ILE A 249
LEU A 250
1.41A21.14
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.
3HY7_A_097A801_1
(A DISINTEGRIN AND
METALLOPROTEINASE
WITH THROMBOSPONDIN
MOTIFS 5)		3m3t 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 9
ASP A 245
LEU A 242
THR A 201
GLU A 240
LEU A 250
1.76A21.19
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.
1R55_A_097A518_1
(ADAM 33)		3m3t 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 10
ALA A 193
HIS A 172
HIS A 163
ALA A 173
THR A 135
1.66A18.59
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.
2JIH_B_097B1001_1
(ADAMTS-1)		3m3t 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 8
ASP A 245
LEU A 242
THR A 201
GLU A 240
LEU A 250
1.77A21.35
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.
2JIH_B_097B1001_1
(ADAMTS-1)		3m3v 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 8
LEU A 242
THR A 201
GLU A 240
LEU A 250
1.22A20.76
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.
3HY7_A_097A801_1
(A DISINTEGRIN AND
METALLOPROTEINASE
WITH THROMBOSPONDIN
MOTIFS 5)		3m3v 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 9
LEU A 242
THR A 201
GLU A 240
ILE A 249
LEU A 250
1.23A20.79
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HY7_A_097A801_1
(A DISINTEGRIN AND
METALLOPROTEINASE
WITH THROMBOSPONDIN
MOTIFS 5)		3mj5 REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		5 / 9
THR A 169
HIS A 172
GLU A 168
HIS B 172
LEU A 174
1.61A20.92
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2JIH_B_097B1001_1
(ADAMTS-1)		3mj5 REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		5 / 8
THR A 169
HIS A 172
GLU A 168
HIS B 172
LEU A 173
1.70A21.14
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.
1R55_A_097A518_1
(ADAM 33)		3r24 2'-O-METHYL
TRANSFERASE
NSP10 AND NSP11
(SARSr-CoV)		5 / 10
ALA B  71
VAL A 104
HIS A  69
ALA A 107
THR A 110
1.52A21.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2JIH_B_097B1001_1
(ADAMTS-1)		3scj ACE2
(Homo
sapiens)		4 / 8
THR B 371
HIS B 374
GLU B 375
HIS B 378
0.26A17.88
None
ZN  B 901 (-3.5A)
ZN  B 901 (-3.3A)
ZN  B 901 (-3.5A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2JIH_B_097B1001_1
(ADAMTS-1)		3sck ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		4 / 8
THR A 371
HIS A 374
GLU A 375
HIS A 378
0.48A18.18
None
ZN  A 901 (-3.5A)
ZN  A 901 (-3.9A)
ZN  A 901 (-3.5A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HY7_A_097A801_1
(A DISINTEGRIN AND
METALLOPROTEINASE
WITH THROMBOSPONDIN
MOTIFS 5)		3sck ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 9
ASP B 367
HIS B 374
GLU B 375
HIS B 378
LEU B 370
1.73A16.31
None
ZN  B 901 (-3.8A)
ZN  B 901 (-3.6A)
ZN  B 901 (-3.7A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1R55_A_097A518_1
(ADAM 33)		3vb5 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 10
ALA B 193
HIS B 172
HIS B 163
ALA B 173
THR B 135
1.64A18.47
None
0JU  F   5 ( 4.7A)
0JU  F   5 (-4.0A)
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.
1R55_A_097A518_1
(ADAM 33)		4wy3 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 10
ALA A 193
HIS A 172
HIS A 163
ALA A 173
THR A 135
1.62A18.47
None
3X5  A 401 ( 4.7A)
3X5  A 401 (-4.0A)
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.
2JIH_A_097A1001_1
(ADAMTS-1)		5c5o 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 9
ASP A 245
LEU A 242
THR A 201
GLU A 240
LEU A 250
1.74A21.79
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2JIH_B_097B1001_1
(ADAMTS-1)		5c8s GUANINE-N7
METHYLTRANSFERASE
NSP10
(SARSr-CoV)		4 / 8
ASP B  41
THR B  35
HIS B  26
LEU A  45
1.31A20.26
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2JIH_B_097B1001_1
(ADAMTS-1)		5c8u GUANINE-N7
METHYLTRANSFERASE
NSP10
(SARSr-CoV)		4 / 8
ASP D  41
THR D  35
HIS D  26
LEU C  45
1.30A20.26
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HY7_A_097A801_1
(A DISINTEGRIN AND
METALLOPROTEINASE
WITH THROMBOSPONDIN
MOTIFS 5)		5e6j POLYUBIQUITIN-B
REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV;
synthetic
construct)		5 / 9
LEU A  17
THR A  11
HIS A  18
GLU A  68
ILE F  13
1.65A21.76
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.
3HY7_A_097A801_1
(A DISINTEGRIN AND
METALLOPROTEINASE
WITH THROMBOSPONDIN
MOTIFS 5)		5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)		5 / 9
ASP D 179
LEU D 174
THR D 173
ILE D 299
LEU D 177
1.45A17.75
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.
3HY7_A_097A801_1
(A DISINTEGRIN AND
METALLOPROTEINASE
WITH THROMBOSPONDIN
MOTIFS 5)		5wrg SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 9
LEU C1045
THR C 706
HIS C1046
GLU C 707
HIS C1030
1.73A10.06
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.
1R55_A_097A518_1
(ADAM 33)		5wrg SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 10
ALA B1037
VAL B1043
THR B 706
HIS B1046
GLU B 707
1.34A9.75
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.
2JIH_A_097A1001_1
(ADAMTS-1)		5wrg SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 9
LEU B1045
THR B 706
HIS B1046
GLU B 707
HIS B1030
1.68A14.29
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.
2JIH_B_097B1001_1
(ADAMTS-1)		5x4r S PROTEIN
(MERS-CoV)		4 / 8
LEU A 187
THR A 168
HIS A 167
LEU A 234
1.31A19.26
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1R55_A_097A518_1
(ADAM 33)		5x4s SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 10
ALA A 233
HIS A  70
HIS A  33
ALA A 250
THR A  71
1.46A19.59
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.
2JIH_B_097B1001_1
(ADAMTS-1)		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		4 / 8
LEU C 847
THR C 760
HIS C1040
LEU C 846
1.31A14.04
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1R55_A_097A518_1
(ADAM 33)		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		5 / 10
THR C  92
HIS C  70
HIS C  33
ALA C 249
THR C  71
1.45A9.65
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.
2JIH_B_097B1001_1
(ADAMTS-1)		5x5c S PROTEIN
(MERS-CoV)		4 / 8
LEU C 187
THR C 168
HIS C 167
LEU C 234
1.30A12.61
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.
2JIH_B_097B1001_1
(ADAMTS-1)		5xlr SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 8
LEU A 847
THR A 760
HIS A1040
LEU A 846
1.29A14.29
LEU  A 847 ( 0.6A)
THR  A 760 ( 0.8A)
HIS  A1040 ( 1.0A)
LEU  A 846 ( 0.6A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2JIH_B_097B1001_1
(ADAMTS-1)		6acd SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 8
ASP C 204
HIS C  33
HIS C  70
LEU C 182
1.22A14.29
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.
1R55_A_097A518_1
(ADAM 33)		6acg ACE2
(Homo
sapiens)		6 / 10
ALA D 412
HIS D 378
GLU D 402
HIS D 401
ALA D 372
THR D 371
1.78A17.04
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2JIH_A_097A1001_1
(ADAMTS-1)		6acg SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 9
LEU C1045
THR C 706
HIS C1046
GLU C 707
MET C1032
1.72A14.29
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.
1R55_A_097A518_1
(ADAM 33)		6acg SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 10
ALA C1037
VAL C1043
THR C 706
HIS C1046
GLU C 707
1.16A9.84
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HY7_A_097A801_1
(A DISINTEGRIN AND
METALLOPROTEINASE
WITH THROMBOSPONDIN
MOTIFS 5)		6acj SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 9
THR B 706
HIS B1046
GLU B 707
HIS B1030
LEU B1045
1.71A10.14
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.
1R55_A_097A518_1
(ADAM 33)		6crv SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 10
ALA A 233
THR A  75
HIS A  70
ALA A 250
THR A  71
1.65A10.14
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.
2JIH_A_097A1001_1
(ADAMTS-1)		6crx SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 9
LEU C1045
THR C 706
HIS C1046
GLU C 707
MET C1032
1.67A14.38
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.
1R55_A_097A518_1
(ADAM 33)		6cs0 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 10
ALA A1037
VAL A1043
THR A 706
HIS A1046
GLU A 707
1.10A9.48
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2JIH_B_097B1001_1
(ADAMTS-1)		6cs1 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 8
LEU A 847
THR A 760
HIS A1040
LEU A 846
1.25A14.38
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.
2JIH_B_097B1001_1
(ADAMTS-1)		6cs2 ACE2
(Homo
sapiens)		4 / 8
THR D 371
HIS D 374
GLU D 375
HIS D 378
0.61A17.88
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.
1R55_A_097A518_1
(ADAM 33)		6jyt HELICASE
(SARSr-CoV)		5 / 10
ALA B 140
THR B 144
THR A  61
HIS A  33
HIS A  39
1.57A15.09
None
None
None
ZN  A 703 (-3.2A)
ZN  A 703 (-3.1A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2JIH_B_097B1001_1
(ADAMTS-1)		6m18 ACE2
(Homo
sapiens)		4 / 8
THR B 371
HIS B 374
GLU B 375
HIS B 378
0.32A15.87
None
None
ZN  B 914 (-3.4A)
ZN  B 914 ( 4.6A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HY7_A_097A801_1
(A DISINTEGRIN AND
METALLOPROTEINASE
WITH THROMBOSPONDIN
MOTIFS 5)		6nur NSP12
(SARSr-CoV)		5 / 9
ASP A 893
LEU A 895
THR A 853
ILE A 888
LEU A 891
1.63A12.70
None