Receptor
PDB id Resolution Class Description Source Keywords
1LVM 1.8 Å NON-ENZYME: TOXIN_VIRAL CATALYTICALLY ACTIVE TOBACCO ETCH VIRUS PROTEASE COMPLEXED WITH PRODUCT TOBACCO ETCH VIRUS BETA BARREL CHYMOTRYPSIN-TYPE CYSTEIN PROTEASE ENZYME- PEPTIDE COMPLEX VIRAL PROTEIN
Ref.: STRUCTURAL BASIS FOR THE SUBSTRATE SPECIFICITY OF TOBACCO ETCH VIRUS PROTEASE. J.BIOL.CHEM. V. 277 50564 2002
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACE GLU ASN LEU TYR PHE GLN SER GLY THR C:301;
D:301;
 Valid;
Valid;
 none;
none;
 submit data
837.908 n/a O=C(N...
GLU ALA THR GLN LEU MET ASN E:230;
 Valid;
 none;
 submit data
761.875 n/a S(CCC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1LVM 1.8 Å NON-ENZYME: TOXIN_VIRAL CATALYTICALLY ACTIVE TOBACCO ETCH VIRUS PROTEASE COMPLEXED WITH PRODUCT TOBACCO ETCH VIRUS BETA BARREL CHYMOTRYPSIN-TYPE CYSTEIN PROTEASE ENZYME- PEPTIDE COMPLEX VIRAL PROTEIN
Ref.: STRUCTURAL BASIS FOR THE SUBSTRATE SPECIFICITY OF TOBACCO ETCH VIRUS PROTEASE. J.BIOL.CHEM. V. 277 50564 2002
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 64 families.
1 1LVB - THR GLU ASN LEU TYR PHE GLN SER GLY THR n/a n/a
2 1LVM - GLU ALA THR GLN LEU MET ASN n/a n/a
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 44 families.
1 1LVB - THR GLU ASN LEU TYR PHE GLN SER GLY THR n/a n/a
2 1LVM - GLU ALA THR GLN LEU MET ASN n/a n/a
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 220 families.
1 1LVB - THR GLU ASN LEU TYR PHE GLN SER GLY THR n/a n/a
2 1LVM - GLU ALA THR GLN LEU MET ASN n/a n/a
3 3MMG - GLU THR VAL ARG PHE GLN SER ASP n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: ACE GLU ASN LEU TYR PHE GLN SER GLY THR; Similar ligands found: 118
No: Ligand ECFP6 Tc MDL keys Tc
1 ACE GLU ASN LEU TYR PHE GLN SER GLY THR 1 1
2 GLU ASN LEU TYR PHE GLN 0.630631 0.98
3 SER GLU ASP GLU PHE TYR ASP ALA LEU SER 0.609756 0.854545
4 THR GLU ASN LEU TYR PHE GLN SER GLY THR 0.581395 0.859649
5 THR ASN GLU PHE TYR ALA 0.580357 0.884615
6 ASP LEU TYR CYS TYR GLU GLN LEU ASN 0.575 0.907407
7 SER SER LEU GLU ASN PHE ALA ALA TYR VAL 0.553846 0.872727
8 SER SER LEU GLU ASN PHE ARG ALA TYR VAL 0.535211 0.790323
9 GLU GLU TYR LEU GLN ALA PHE THR TYR 0.519084 0.941176
10 VAL TYR ARG SER LEU SEP PHE GLU 0.516393 0.634921
11 THR ASN GLU PHE TYR PHE 0.513761 0.88
12 ALA GLU THR PHE TYR VAL ASP GLY 0.512397 0.884615
13 SER LEU ARG PHE LEU TYR GLU GLY 0.507692 0.774194
14 ACE SER LEU ASN PHE 0.504673 0.745455
15 THR ASN LEU TYR MET LEU 0.504132 0.789474
16 SER LEU PHE ASN THR VAL ALA THR LEU TYR 0.492537 0.818182
17 SER GLN TYR TYR TYR ASN SER LEU 0.491525 0.872727
18 ASP PHE GLU ASP TYR GLU PHE ASP 0.491379 0.865385
19 TYR GLU LEU ASP GLU LYS PHE ASP ARG LEU 0.489051 0.758065
20 ASN ALA LEU LEU ARG TYR LEU LEU ASP 0.488189 0.783333
21 GLU ASN GLN LYS GLU TYR PHE PHE 0.487603 0.818182
22 ACE LEU PHE PHE GLK CF0 GLU 0.485981 0.823529
23 ARG PRO GLY ASN PHE LEU GLN ASN ARG PRO 0.484615 0.666667
24 THR LYS ASN TYR LYS GLN PHE SER VAL 0.484375 0.842105
25 SER HIS PHE ASN GLU TYR GLU 0.481481 0.725806
26 FME TYR PHE ILE ASN ILE LEU THR LEU 0.477941 0.827586
27 LYS ALA VAL TYR ASN PHE ALA THR MET 0.477273 0.789474
28 ACE GLN ALC ASP LEU PHE 0.475806 0.792453
29 ASP ASN ARG LEU GLY LEU VAL TYR GLN PHE 0.474576 0.9
30 LEU LEU TYR GLY PHE VAL ASN TYR VAL 0.473282 0.87037
31 GLY ASN TYR SER PHE TYR ALA LEU 0.471545 0.807018
32 SER ILE TYR PHE TPO PRO GLU LEU TYR ASP 0.471338 0.631579
33 ASP ASP ASP MET GLY PHE GLY LEU PHE ASP 0.469565 0.740741
34 GLU ASP GLU ASP PHE GLU ILE LEU SER LEU 0.466667 0.767857
35 LEU GLU PHE GLN GLY 0.465517 0.722222
36 ARG PRO GLY ASN PHE LEU GLN SER SER PRO 0.463768 0.677419
37 LEU LEU TYR GLY PHE VAL ASN TYR ILE 0.459259 0.854545
38 ALA TRP LEU PHE GLU ALA 0.457364 0.732143
39 GLU GLU ASN LEU LEU ASP PHE VAL ARG PHE 0.457143 0.75
40 GLY ASN PHE LEU GLN SER ARG 0.454545 0.68254
41 ASP PHE GLU LYS GLU GLY TYR SER LEU 0.453901 0.813559
42 SER LEU ASN TYR ILE ILE LYS VAL LYS GLU 0.453901 0.79661
43 ALA ALA SER LEU TYR GLU LYS LYS ALA ALA 0.453846 0.807018
44 ARG PRO GLY ASN PHE PHE GLN ASN ARG PRO 0.453782 0.727273
45 PHE ARG TYR LEU GLY 0.452381 0.766667
46 GLY ALA PHE THR PHE ASN GLU ASP PHE 0.451613 0.826923
47 SER GLY ILE PHE LEU GLU THR SER 0.451613 0.75
48 ASP SEP TYR GLU VAL LEU ASP LEU 0.45 0.709677
49 CYS THR GLU LEU LYS LEU ASN ASP TYR 0.448529 0.824561
50 ALA ALA TRP LEU PHE GLU ALA 0.447761 0.732143
51 SER ILE ILE ASN PHE GLU LYS LEU 0.447761 0.741379
52 GLY ALA GLU VAL PHE TYR VAL ASP GLY ALA 0.44697 0.851852
53 GLY ALA GLN THR PHE TYR VAL ASP GLY ALA 0.44697 0.821429
54 ASP ALA ASP GLU TYR LEU 0.446281 0.862745
55 GLY ALA ALA ARG ALA GLU VAL TYR LEU ARG 0.444444 0.737705
56 THR ASN GLU TYR TYR VAL 0.442478 0.94
57 GLY TYR GLU ASN PRO THR TYR LYS PHE PHE 0.441558 0.676471
58 GLU ILE ILE ASN PHE GLU LYS LEU 0.440298 0.75
59 ASP PHE GLN GLU SER ALA ASP SER PHE LEU 0.439394 0.818182
60 ACE ILE TYR GLU SER LEU 0.438017 0.8
61 ARG GLN ALA ASN PHE LEU GLY LYS ILE ASN 0.436975 0.703704
62 ALA LEU TYR ASN THR ALA ALA ALA LEU 0.435484 0.846154
63 THR PRO ASP TYR PHE LEU 0.434426 0.79661
64 GLY ALA ASP ILE PHE TYR LEU ASP GLY ALA 0.434109 0.796296
65 ACE ASN TRP GLU THR PHE 0.432836 0.775862
66 PHE LEU SER TYR LYS 0.432 0.839286
67 PHE LEU ALA TYR LYS 0.432 0.833333
68 GLU GLN TYR LYS PHE TYR SER VAL 0.428571 0.824561
69 SER PHE PHE GLU ASP ASN PHE VAL PRO GLU 0.427536 0.661765
70 GLY ALA GLU THR PHE TYR VAL ASP GLY ALA 0.427536 0.839286
71 THR PHE GLN ALA PSA LEU ARG GLU 0.426667 0.714286
72 PHE GLN TRP MET GLY TYR GLU LEU TRP 0.425806 0.707692
73 ACE VAL PHE PHE ALA GLU ASP NH2 0.425 0.8
74 ASP TYR ASN PRO TYR LEU LEU PHE LEU LYS 0.424658 0.731343
75 SER LEU PHE ASN THR ILE ALA VAL LEU 0.42446 0.732143
76 ACE PHE ALA TYR M3L SER NH2 0.424 0.723077
77 ARG GLN ALA ASN PHE LEU GLY LYS 0.424 0.759259
78 ASP PHE GLU GLU ILE PRO GLY GLU TYR LEU 0.423077 0.701493
79 GLN PHE LYS ASP ASN VAL ILE LEU LEU 0.422535 0.767857
80 THR ASN GLU PHE ALA PHE 0.422414 0.8
81 GLY ILE LEU GLU PHE VAL PHE THR LEU 0.421053 0.8
82 GLU VAL TYR GLU SER 0.420168 0.777778
83 HIS LEU TYR PHE SER SEP ASN 0.41958 0.671429
84 THR ASN GLU TYR LYS VAL 0.419355 0.851852
85 ALA VAL TYR ASN PHE ALA THR MET 0.419118 0.824561
86 LEU TYR ALA SER PRO GLN LEU GLU GLY PHE 0.417722 0.701493
87 TYR LEU ASP SER GLY ILE HIS SER GLY ALA 0.417391 0.777778
88 LEU TYR LEU VAL CYS GLY GLU ARG GLY PHE 0.417219 0.770492
89 ACE PHE ASP GLU MET GLU GLU CYS 0.416667 0.684211
90 LYS ALA VAL PHE ASN PHE ALA THR MET 0.416667 0.736842
91 LEU GLY TYR GLY PHE VAL ASN TYR ILE 0.416058 0.854545
92 SER GLN ASN TYR 0.415929 0.763636
93 PRO PRO THR LEU HIS GLU LEU TYR ASP LEU 0.414013 0.685714
94 PRO GLN PHE SER LEU TRP LYS ARG 0.413793 0.6875
95 GLU LEU ASP LYS TYR ALA SER 0.413534 0.789474
96 SER ASP TYR GLN ARG LEU 0.412698 0.762712
97 ARG GLN VAL ASN PHE LEU GLY LYS ILE ASN 0.412698 0.703704
98 ASN ASP LYS TYR GLU PRO PHE TRP GLU 0.411765 0.652174
99 MET PHE SER ILE ASP ASN ILE LEU ALA 0.411348 0.716667
100 ARG ARG ILE TYR ASP LEU ILE GLU LEU 0.409722 0.725806
101 PRO ALA TRP LEU PHE GLU ALA 0.408163 0.677419
102 GLN TYR PHE MET TPO GLU PTR VAL ALA 0.407643 0.691176
103 SER LEU TYR ASN THR ILE ALA THR LEU 0.407407 0.803571
104 SER LEU TYR ASN VAL VAL ALA THR LEU 0.407407 0.8
105 PHE TYR ARG TYR GLY PHE VAL ALA ASN PHE 0.406504 0.677966
106 GLU GLU TYR LEU LYS ALA TRP THR PHE 0.40625 0.774194
107 ALA ARG THR GLU LEU TYR ARG SER LEU 0.404255 0.730159
108 ARG ARG LEU LEU ARG GLY HIS ASN GLN TYR 0.403974 0.716418
109 GLY GLY LYS LYS LYS TYR GLN LEU 0.403101 0.785714
110 ACE LEU PHE 0.401961 0.7
111 TYR GLN PHE 0.401786 0.82
112 PRO GLU SEP LEU GLU SER CYS PHE 0.401515 0.640625
113 GLN VAL ASN PHE LEU GLY LYS 0.40146 0.75
114 GLY ASP GLU VAL LYS VAL PHE ARG 0.401408 0.629032
115 SER SER ARG LYS GLU TYR TYR ALA 0.4 0.721311
116 LEU ASP GLU GLU THR GLY GLU PHE LEU 0.4 0.767857
117 SER LEU TYR ASN THR VAL ALA THR LEU 0.4 0.8
118 SER LEU PHE ASN THR VAL ALA THR LEU 0.4 0.745455
Ligand no: 2; Ligand: GLU ALA THR GLN LEU MET ASN; Similar ligands found: 61
No: Ligand ECFP6 Tc MDL keys Tc
1 GLU ALA THR GLN LEU MET ASN 1 1
2 GLU ALA GLN THR ARG LEU 0.568807 0.777778
3 SER LEU LEU MET TRP ILE THR GLN ALA 0.534884 0.754098
4 GLU GLU TYR LEU GLN ALA PHE THR TYR 0.524194 0.759259
5 LEU ALA SER LEU GLU SER GLN SER 0.495146 0.836735
6 ALA THR ILE MET MET GLN ARG GLY 0.490385 0.808511
7 ASN LEU VAL PRW MET VAL ALA THR VAL 0.487603 0.882353
8 ARG LEU GLN ARG ARG ARG GLU THR GLN VAL 0.486957 0.75
9 MET CYS LEU ARG MET THR ALA VAL MET 0.48 0.803571
10 MET ABA LEU ARG MET THR ALA VAL MET 0.479675 0.803571
11 SER LEU LYS LEU MET THR THR VAL 0.477064 0.882353
12 LYS LEU VAL GLN LEU LEU THR THR THR 0.477064 0.84
13 LYS SER LEU LEU GLN GLN LEU LEU THR GLU 0.474138 0.807692
14 SER LEU LEU MET TRP ILE THR GLN LEU 0.473684 0.754098
15 THR PRO GLN ASP LEU ASN THR MET LEU 0.472868 0.730159
16 SER LEU LEU MET TRP ILE THR GLN CYS 0.470588 0.754098
17 GLN ARG ALA THR LYS MET NH2 0.470588 0.785714
18 SER LEU LEU MET TRP ILE THR GLN SER 0.470149 0.754098
19 ILE LEU ASN ALA MET ILE THR LYS ILE 0.467213 0.884615
20 GLU LEU ALA GLY ILE GLY ILE ALA THR VAL 0.466102 0.82
21 GLU ALA ALA GLY ILE GLY ILE LEU THR VAL 0.466102 0.82
22 GLU LEU ALA ALA ILE GLY ILE LEU THR VAL 0.466102 0.836735
23 ALA SER ASN GLU ASN ALA GLU THR MET 0.464912 0.882353
24 ALA SER ASN GLU ASN MET GLU THR MET 0.454545 0.882353
25 LYS MET ASN THR GLN PHE THR ALA VAL 0.454545 0.836364
26 ASN SER THR LEU GLN 0.451923 0.8
27 ALA SER ASN GLU ASP MET GLU THR MET 0.451327 0.882353
28 ASN ARG LEU MET LEU THR GLY 0.448276 0.821429
29 MET GLU ASP TPO GLN ALA ILE ASP 0.448 0.754386
30 MET CYS LEU ARG NLE THR ALA VAL MET 0.446154 0.789474
31 ACE CSO ARG ALA THR LYS MET LEU 0.440945 0.71875
32 ACE GLU ALA GLN THR ARG LEU 0.440678 0.763636
33 ACE ASP LEU GLN THR SER ILE 0.4375 0.803922
34 CYS LEU GLY GLY LEU LEU THR MET VAL 0.436975 0.882353
35 SER LEU LEU MET TRP ILE THR GLN VAL 0.435714 0.737705
36 THR LEU ILE ASP LEU THR GLU LEU ILE 0.433628 0.833333
37 PHE ALA GLY LEU ARG GLN ALA VAL THR GLN 0.433333 0.763636
38 THR ILE MET MET GLN ARG GLY 0.432203 0.789474
39 ASN LEU VAL PRO MET VAL ALA THR VAL 0.431818 0.741935
40 SER ARG MET GLU GLU VAL ASP 0.431034 0.9
41 ARG GLU ASP GLN GLU THR ALA VAL 0.428571 0.851064
42 THR ARG ARG GLU THR GLN LEU 0.426087 0.75
43 GLU LEU ALA GLY ILE GLY ILE LEU THR VAL 0.425 0.82
44 LYS THR LYS LEU LEU 0.423077 0.82
45 SER GLN LEU LYS ASN ASN ALA LYS GLU ILE 0.422764 0.745455
46 ACE MET LEU SER VAL GLU GLU GLU GLY 0.421053 0.862745
47 ALA SER ASN GLU ASN ILE GLU THR MET 0.420168 0.865385
48 ILE PRO LEU THR GLU GLU ALA GLU LEU 0.417323 0.677419
49 ALA ARG THR M3L GLN THR ALA ALA LYS ALA 0.417323 0.714286
50 ACE GLN LEU VAL THR SER LEU 0.416667 0.82
51 ASN LEU VAL PRO GLN VAL ALA THR VAL 0.416667 0.677419
52 ARG ARG ALA THR LYS MET NH2 0.416667 0.754386
53 SER GLY ILE PHE LEU GLU THR SER 0.416667 0.773585
54 ACE PRO GLN GLN ALA THR ASP ASP 0.406504 0.650794
55 ASP GLU THR ASN LEU 0.405405 0.816327
56 GLU ARG GLY MET THR 0.405172 0.781818
57 HIS LYS LEU VAL GLN LEU LEU THR THR THR 0.403101 0.688525
58 LEU LYS THR LYS LEU LEU 0.401869 0.82
59 ALA 2MR THR MLY GLN THR ALA ALA 0.401575 0.737705
60 ACE GLY ALA ALA GLN GLU GLU 0.4 0.734694
61 ALA DA2 THR M3L GLN THR ALA ARG ALA 0.4 0.714286
Similar Ligands (3D)
Ligand no: 1; Ligand: ACE GLU ASN LEU TYR PHE GLN SER GLY THR; Similar ligands found: 0
No: Ligand Similarity coefficient
Ligand no: 2; Ligand: GLU ALA THR GLN LEU MET ASN; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
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