Receptor
PDB id Resolution Class Description Source Keywords
1LVB 2.2 Å NON-ENZYME: TOXIN_VIRAL CATALYTICALLY INACTIVE TOBACCO ETCH VIRUS PROTEASE COMPLEXED SUBSTRATE TOBACCO ETCH VIRUS BETA BARREL PROTEIN-PEPTIDE COMPLEX CHYMOTRYPSIN-LIKE CYSTPROTEASE VIRAL PROTEIN
Ref.: STRUCTURAL BASIS FOR THE SUBSTRATE SPECIFICITY OF T 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
GOL A:401;
B:402;
Invalid;
Invalid;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
THR GLU ASN LEU TYR PHE GLN SER GLY THR C:301;
D:301;
Valid;
Valid;
none;
none;
submit data
1158.21 n/a O=C([...
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 60 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 42 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 185 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
Ligand no: 1; Ligand: THR GLU ASN LEU TYR PHE GLN SER GLY THR; Similar ligands found: 183
No: Ligand ECFP6 Tc MDL keys Tc
1 THR GLU ASN LEU TYR PHE GLN SER GLY THR 1 1
2 THR ASN GLU PHE TYR ALA 0.652542 0.857143
3 SER SER LEU GLU ASN PHE ALA ALA TYR VAL 0.622222 0.946429
4 GLU ASN LEU TYR PHE GLN 0.593496 0.875
5 THR TYR LYS PHE PHE GLU GLN 0.580645 0.827586
6 GLU ASN PRO THR TYR LYS PHE PHE GLU GLN 0.580645 0.827586
7 GLU GLU TYR LEU GLN ALA PHE THR TYR 0.573529 0.875
8 THR LYS ASN TYR LYS GLN PHE SER VAL 0.569231 0.947368
9 SER GLN TYR TYR TYR ASN SER LEU 0.560976 0.946429
10 LEU LEU TYR GLY PHE VAL ASN TYR VAL 0.558824 0.910714
11 SER SER LEU GLU ASN PHE ARG ALA TYR VAL 0.553333 0.887097
12 LEU LEU TYR GLY PHE VAL ASN TYR ILE 0.539007 0.894737
13 THR SER ASN LEU GLN GLU GLN ILE GLY TRP 0.532895 0.84127
14 GLY ASN PHE LEU GLN SER ARG 0.529412 0.806452
15 GLU GLN TYR LYS PHE TYR SER VAL 0.526316 0.896552
16 ACE GLU ASN LEU TYR PHE GLN SER GLY THR 0.518248 0.859649
17 LEU GLY TYR GLY PHE VAL ASN TYR ILE 0.517986 0.894737
18 SER GLU ASP GLU PHE TYR ASP ALA LEU SER 0.510638 0.910714
19 ALA ARG THR GLU LEU TYR ARG SER LEU 0.510638 0.825397
20 GLY ALA GLU THR PHE TYR VAL ASP GLY ALA 0.510638 0.894737
21 TYR GLU LEU ASP GLU LYS PHE ASP ARG LEU 0.510345 0.796875
22 PHE ARG SER LYS GLY GLU GLU LEU PHE THR 0.510067 0.809524
23 THR LYS ASN TYR LYS GLN THR SER VAL 0.507246 0.896552
24 PHE GLN TRP MET GLY TYR GLU LEU TRP 0.506329 0.746269
25 LEU TYR ALA SER PRO GLN LEU GLU GLY PHE 0.50625 0.791045
26 GLU ASN GLN LYS GLU TYR PHE PHE 0.503817 0.793103
27 LEU ASP GLU GLU THR GLY GLU PHE LEU 0.50365 0.857143
28 GLY ALA GLU VAL PHE TYR VAL ASP GLY ALA 0.5 0.842105
29 CYS THR GLU LEU LYS LEU ASN ASP TYR 0.5 0.896552
30 LEU TYR LEU VAL CYS GLY GLU ARG GLY PHE 0.496732 0.809524
31 SER HIS PHE ASN GLU TYR GLU 0.496552 0.793651
32 GLU ASP GLU ASP PHE GLU ILE LEU SER LEU 0.496454 0.824561
33 ASP LEU TYR CYS TYR GLU GLN LEU ASN 0.49635 0.912281
34 GLY ASN TYR SER PHE TYR ALA LEU 0.496241 0.946429
35 ASP ASN ARG LEU GLY LEU VAL TYR GLN PHE 0.495868 0.785714
36 ARG GLY TYR LEU TYR GLN GLY LEU 0.492754 0.806452
37 THR ASN LEU TYR MET LEU 0.492537 0.8
38 GLN VAL ASN PHE LEU GLY LYS 0.489209 0.793103
39 ARG PRO GLY ASN PHE PHE GLN ASN ARG PRO 0.488189 0.789474
40 ARG ARG LEU LEU ARG GLY HIS ASN GLN TYR 0.487013 0.779412
41 CYS THR GLU LEU LYS LEU SER ASP TYR 0.486111 0.87931
42 PHE GLU ALA ASN GLY ASN LEU ILE 0.485915 0.824561
43 SER ILE ILE ASN PHE GLU LYS LEU 0.485714 0.844828
44 THR ASN GLU PHE TYR PHE 0.483871 0.767857
45 PHE LEU SER TYR LYS 0.480916 0.894737
46 VAL GLN GLN GLU SER SER PHE VAL MET 0.477941 0.783333
47 GLY ALA PHE THR PHE ASN GLU ASP PHE 0.477612 0.803571
48 ARG GLN ALA ASN PHE LEU GLY LYS 0.477273 0.77193
49 SER LEU PHE ASN THR VAL ALA THR LEU TYR 0.47619 0.892857
50 SER LEU ASN TYR ILE ILE LYS VAL LYS GLU 0.473333 0.898305
51 LYS ALA LEU TYR ASN PHE ALA THR MET 0.473333 0.868852
52 GLU GLU ASN LEU LEU ASP PHE VAL ARG PHE 0.472973 0.790323
53 GLY ILE LEU GLU PHE VAL PHE THR LEU 0.471429 0.807018
54 THR SER THR LEU GLN GLU GLN ILE GLY TRP 0.471338 0.825397
55 PHE ARG TYR LEU GLY 0.470588 0.806452
56 GLY SER HIS LEU GLU VAL GLN GLY TYR TRP 0.470238 0.859375
57 GLY ALA GLN THR PHE TYR VAL ASP GLY ALA 0.464789 0.928571
58 MET LEU TRP GLY TYR LEU GLN TYR VAL 0.464516 0.757576
59 LEU TYR LEU VAL CYS GLY GLU ARG VAL 0.463576 0.777778
60 GLN TYR PHE MET TPO GLU PTR VAL ALA 0.462963 0.753623
61 GLY GLY LYS LYS LYS TYR GLN LEU 0.462687 0.827586
62 ALA LEU TYR ASN THR ALA ALA ALA LEU 0.462687 0.821429
63 ASP PHE GLU ASP TYR GLU PHE ASP 0.461538 0.767857
64 ACE ILE TYR GLU SER LEU 0.461538 0.842105
65 LEU GLU PHE GLN GLY 0.460938 0.767857
66 ALA GLU THR PHE TYR VAL ASP GLY 0.459854 0.839286
67 THR LEU MET THR GLY GLN LEU GLY LEU PHE 0.457364 0.75
68 SER LEU PHE ASN THR VAL ALA THR LEU 0.457143 0.821429
69 ALA ALA SER LEU TYR GLU LYS LYS ALA ALA 0.457143 0.862069
70 SER LEU TYR ASN THR VAL ALA THR LEU 0.457143 0.875
71 PCA PHE ARG HIS ASP SER GLY TYR GLU VAL 0.457143 0.808824
72 GLU THR LEU LEU ASP LEU ASP PHE LEU GLU 0.456693 0.696429
73 PHE LEU ARG GLY ARG ALA TYR GLY LEU 0.455782 0.822581
74 PHE LEU ARG GLY ARG ALA TYR VAL LEU 0.454545 0.822581
75 GLU ILE ILE ASN PHE GLU LYS LEU 0.454545 0.745763
76 SER LEU TYR ASN VAL VAL ALA THR LEU 0.453901 0.875
77 THR PHE LYS LYS THR ASN 0.453846 0.793103
78 THR TYR PHE ALA VAL LEU MET VAL SER 0.453333 0.8
79 TYR GLN GLU SER THR ASP PHE THR PHE LEU 0.453125 0.767857
80 CYS VAL ASN GLY SER CYS PHE THR VAL 0.451389 0.842105
81 ARG PRO GLY ASN PHE LEU GLN ASN ARG PRO 0.451389 0.709677
82 SER GLN ASN TYR 0.45082 0.839286
83 GLU GLU TYR LEU LYS ALA TRP THR PHE 0.450617 0.78125
84 LEU TYR LEU VAL CYS GLY GLU ARG GLY 0.447368 0.777778
85 GLY VAL TYR ASP GLY ARG GLU HIS THR VAL 0.447205 0.779412
86 ASP ALA ASP GLU TYR LEU 0.44697 0.785714
87 ASP ASN TRP GLN ASN GLY THR SER 0.446667 0.790323
88 ARG PHE MET ASP TYR TRP GLU GLY LEU 0.446429 0.708333
89 GLU GLU PHE GLY ARG ALA PHE SER PHE 0.445946 0.758065
90 ALA VAL TYR ASN PHE ALA THR MET 0.445205 0.833333
91 THR ASN GLU TYR TYR VAL 0.444444 0.821429
92 FME TYR PHE ILE ASN ILE LEU THR LEU 0.443709 0.836066
93 SER LEU TYR ASN THR ILE ALA THR LEU 0.443662 0.877193
94 THR ASN GLU TYR LYS VAL 0.443609 0.824561
95 GLU LEU ASP LYS TYR ALA SER 0.442857 0.877193
96 SER LEU PHE ASN THR ILE ALA VAL LEU 0.441379 0.824561
97 GLU THR VAL ARG PHE GLN SER ASP 0.440789 0.774194
98 THR PHE GLN ALA PSA LEU ARG GLU 0.440252 0.809524
99 GLU THR PHE TYR VAL ASP GLY 0.439716 0.910714
100 SER ILE ILE GLY PHE GLU LYS LEU 0.438356 0.810345
101 ARG PRO GLY ASN PHE LEU GLN SER ARG LEU 0.43787 0.653333
102 LEU GLU LYS ALA ARG GLY SER THR TYR 0.4375 0.828125
103 VAL ASN ASP ILE PHE GLU ALA ILE 0.4375 0.754386
104 ARG TYR GLY PHE VAL ALA ASN PHE 0.437086 0.83871
105 GLY LEU MET TRP LEU SER TYR PHE VAL 0.436709 0.787879
106 ARG GLY TYR VAL TYR GLN GLY LEU 0.435374 0.806452
107 ARG PRO GLY ASN PHE LEU GLN SER SER PRO 0.435294 0.675676
108 SER ASP TYR GLN ARG LEU 0.433824 0.774194
109 ALA THR ARG ASN PHE SER GLY 0.433566 0.774194
110 MET PHE SER ILE ASP ASN ILE LEU ALA 0.433333 0.786885
111 ILE ARG LYS ILE LEU PHE LEU ASP GLY ILE 0.433121 0.666667
112 ILE ASN PHE ASP PHE ASN THR ILE 0.432836 0.807018
113 ARG PRO GLY ASN PHE LEU GLN SER ARG PRO 0.432749 0.666667
114 TYR GLY GLY PHE LEU 0.431818 0.824561
115 GLN PHE LYS ASP ASN VAL ILE LEU LEU 0.430464 0.793103
116 TYR GLN SER LYS LEU 0.428571 0.894737
117 LYS GLN TRP ASP ASN TYR GLU PHE ILE TRP 0.426829 0.75
118 SER PHE PHE GLU ASP ASN PHE VAL PRO GLU 0.426667 0.776119
119 PHE LEU ALA TYR LYS 0.426471 0.807018
120 SER GLN LEU LYS ASN ASN ALA LYS GLU ILE 0.425532 0.79661
121 ARG ARG ILE TYR ASP LEU ILE GLU LEU 0.424837 0.765625
122 GLY TYR GLU ASN PRO THR TYR LYS PHE PHE 0.424242 0.776119
123 ASN GLY TYR GLU ASN PRO THR TYR LYS 0.423313 0.764706
124 LYS MET ASP SEP PHE LEU ASP MET GLN LEU 0.423077 0.657143
125 LYS ALA VAL TYR ASN PHE ALA THR MET 0.422078 0.868852
126 LYS ALA VAL TYR ASN LEU ALA THR MET 0.422078 0.836066
127 ASP ASP LEU TYR GLY 0.421875 0.839286
128 ASP PHE GLU GLU ILE 0.421875 0.666667
129 DVA DPR GLY DSN DGN DHI DTY DAS DSN 0.421687 0.771429
130 LYS MET ASN THR GLN PHE THR ALA VAL 0.421053 0.774194
131 LYS VAL LEU PHE LEU ASP GLY 0.42029 0.754386
132 PRO GLU SEP LEU GLU SER CYS PHE 0.41958 0.692308
133 PRO GLU GLY ASP PM3 GLU GLU VAL LEU 0.417808 0.698413
134 ASP ASP ASP MET GLY PHE GLY LEU PHE ASP 0.416667 0.767857
135 ASP ASP MET GLY PHE GLY LEU PHE ASP 0.416667 0.767857
136 VAL CYS TRP GLY GLU LEU MET ASN LEU 0.416149 0.742424
137 PHE TYR ARG TYR GLY PHE VAL ALA ASN PHE 0.416107 0.777778
138 ILE LEU ALA LYS PHE LEU HIS GLU LEU 0.415584 0.661538
139 GLU TYR LEU GLY LEU ASP VAL PRO VAL 0.415094 0.716418
140 LYS SER LEU LEU GLN GLN LEU LEU THR GLU 0.414815 0.793103
141 ARG VAL LEU PHE GLU ALA MET 0.414474 0.617647
142 LEU LEU PHE GLY PHE PRO VAL TYR VAL 0.41358 0.731343
143 LEU LEU PHE GLY TYR PRO VAL TYR VAL 0.41358 0.731343
144 GLU LEU ASN ARG LYS MET ILE TYR MET 0.41358 0.724638
145 TYR GLN PHE 0.41129 0.732143
146 ACE SER LEU ASN PHE 0.410853 0.789474
147 PHE LEU GLU LYS 0.410853 0.701754
148 ALA GLN PHE SER ALA SER ALA SER ARG 0.410072 0.741935
149 LEU LEU PHE GLY LYS PRO VAL TYR VAL 0.409639 0.720588
150 SER VAL TYR ASP PHE PHE VAL TRP LEU 0.409091 0.806452
151 ILE ASP TRP PHE GLU GLY LYS GLU 0.408805 0.692308
152 ILE ASP TRP PHE ASP GLY LYS GLU 0.408805 0.71875
153 ASP PHE GLU GLU ILE PRO GLY GLU TYR LEU 0.408284 0.724638
154 THR PRO TYR ASP ILE ASN GLN MET LEU 0.408284 0.722222
155 SER GLU LEU GLU ILE LYS ARG TYR 0.407895 0.784615
156 ASN GLN LEU ALA TRP PHE ASP THR ASP LEU 0.407407 0.758065
157 THR ARG ARG GLU THR GLN LEU 0.407407 0.714286
158 ILE SER TYR GLY ASN ASP ALA LEU MET PRO 0.406977 0.75
159 ALA TRP LEU PHE GLU ALA 0.406897 0.645161
160 PHE TYR ARG ALA LEU MET 0.406667 0.727273
161 LYS PRO ILE VAL GLN TYR ASP ASN PHE 0.405882 0.768116
162 THR PRO ASP TYR PHE LEU 0.405797 0.803279
163 SER SER ARG LYS GLU TYR TYR ALA 0.405797 0.734375
164 ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU 0.404624 0.609756
165 THR ASN GLU PHE ALA PHE 0.40458 0.696429
166 VAL VAL SER HIS PHE ASN ASP 0.40411 0.746032
167 GLU ASP GLU ASP PHE GLU ILE LEU SEP LEU 0.403727 0.661538
168 GLY GLY LYS LYS LYS TYR LYS LEU 0.402985 0.810345
169 ARG GLN ALA ASN PHE LEU GLY LYS ILE ASN 0.402985 0.75
170 ARG GLN VAL ASN PHE LEU GLY LYS ILE ASN 0.402878 0.75
171 SER SER ILE GLU PHE ALA ARG LEU 0.402597 0.761905
172 PHE GLN PRO GLN ASN GLY GLN PHE ILE 0.402516 0.681159
173 ILE THR ASP GLN VAL PRO PHE SER VAL 0.402439 0.735294
174 TYR LEU ASP SEP GLY ILE HIS SER GLY ALA 0.402367 0.712329
175 GLU VAL ASN 1OL ALA GLU PHE 0.401316 0.77193
176 SER SER VAL VAL GLY VAL TRP TYR LEU 0.401274 0.822581
177 ASP SER LYS ASP VAL LYS GLU TRP TYR VAL ZN 0.401235 0.776119
178 SER ILE TYR PHE TPO PRO GLU LEU TYR ASP 0.40113 0.72
179 ASP VAL GLN THR GLY ARG ARG PRO TYR GLU 0.4 0.689189
180 ALA ALA TRP LEU PHE GLU ALA 0.4 0.645161
181 THR PHE ALY SER ILE MET LYS 0.4 0.75
182 GLU LEU ASP 1OL VAL GLU PHE 0.4 0.719298
183 SER LEU TYR LEU THR VAL ALA THR LEU 0.4 0.821429
Similar Binding Sites (Proteins are less than 50% similar to leader)
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