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 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: 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 0.649573 0.857143
3 SER SER LEU GLU ASN PHE ALA ALA TYR VAL 0.626866 0.946429
4 GLU ASN LEU TYR PHE GLN 0.601626 0.875
5 ACE GLU ASN LEU TYR PHE GLN SER GLY THR 0.581395 0.859649
6 GLU GLU TYR LEU GLN ALA PHE THR TYR 0.580882 0.875
7 SER GLN TYR TYR TYR ASN SER LEU 0.560976 0.946429
8 LEU LEU TYR GLY PHE VAL ASN TYR VAL 0.559702 0.910714
9 SER SER LEU GLU ASN PHE ARG ALA TYR VAL 0.549669 0.887097
10 THR LYS ASN TYR LYS GLN PHE SER VAL 0.548872 0.947368
11 LEU LEU TYR GLY PHE VAL ASN TYR ILE 0.543478 0.894737
12 SER GLY ILE PHE LEU GLU THR SER 0.543307 0.824561
13 GLY ASN PHE LEU GLN SER ARG 0.529412 0.806452
14 THR SER ASN LEU GLN GLU GLN ILE GLY TRP 0.526316 0.84127
15 GLU GLN TYR LYS PHE TYR SER VAL 0.525926 0.896552
16 ASP PHE GLN GLU SER ALA ASP SER PHE LEU 0.514706 0.892857
17 SER LEU ARG PHE LEU TYR GLU GLY 0.514286 0.870968
18 ASP PHE GLU LYS GLU GLY TYR SER LEU 0.513699 0.948276
19 SER HIS PHE ASN GLU TYR GLU 0.51049 0.793651
20 LEU TYR ALA SER PRO GLN LEU GLU GLY PHE 0.509434 0.791045
21 ASP LEU TYR CYS TYR GLU GLN LEU ASN 0.507353 0.912281
22 LEU ASP GLU GLU THR GLY GLU PHE LEU 0.507353 0.875
23 ALA ARG THR GLU LEU TYR ARG SER LEU 0.507042 0.825397
24 TYR GLU LEU ASP GLU LYS PHE ASP ARG LEU 0.506849 0.796875
25 GLY ASN TYR SER PHE TYR ALA LEU 0.503817 0.946429
26 LEU GLY TYR GLY PHE VAL ASN TYR ILE 0.5 0.894737
27 GLY ALA GLU THR PHE TYR VAL ASP GLY ALA 0.5 0.912281
28 CYS THR GLU LEU LYS LEU ASN ASP TYR 0.5 0.896552
29 PHE GLN TRP MET GLY TYR GLU LEU TRP 0.5 0.746269
30 GLU ASP GLU ASP PHE GLU ILE LEU SER LEU 0.496504 0.842105
31 SER GLU ASP GLU PHE TYR ASP ALA LEU SER 0.496504 0.928571
32 LEU TYR LEU VAL CYS GLY GLU ARG GLY PHE 0.493506 0.809524
33 THR LYS ASN TYR LYS GLN THR SER VAL 0.492958 0.896552
34 PHE GLU ALA ASN GLY ASN LEU ILE 0.492857 0.824561
35 ARG ARG LEU LEU ARG GLY HIS ASN GLN TYR 0.490196 0.779412
36 SER ILE ILE ASN PHE GLU LYS LEU 0.489362 0.844828
37 GLY ALA GLU VAL PHE TYR VAL ASP GLY ALA 0.489209 0.859649
38 THR ASN LEU TYR MET LEU 0.488722 0.8
39 ASP PHE GLU ASP TYR GLU PHE ASP 0.488189 0.775862
40 CYS THR GLU LEU LYS LEU SER ASP TYR 0.486111 0.896552
41 GLN VAL ASN PHE LEU GLY LYS 0.485714 0.793103
42 GLU ASN GLN LYS GLU TYR PHE PHE 0.484848 0.827586
43 GLY ALA PHE THR PHE ASN GLU ASP PHE 0.484848 0.803571
44 ARG PRO GLY ASN PHE LEU GLN SER SER PRO 0.482993 0.803279
45 ARG GLN ALA ASN PHE LEU GLY LYS 0.480916 0.77193
46 SER LEU PHE ASN THR VAL ALA THR LEU TYR 0.479452 0.892857
47 PHE LEU SER TYR LYS 0.477273 0.912281
48 GLU GLU ASN LEU LEU ASP PHE VAL ARG PHE 0.47651 0.790323
49 LEU GLU PHE GLN GLY 0.47619 0.767857
50 LEU ARG ASN GLN SER VAL PHE ASN PHE 0.475862 0.83871
51 ARG GLY TYR LEU TYR GLN GLY LEU 0.475177 0.806452
52 GLY ILE LEU GLU PHE VAL PHE THR LEU 0.47482 0.842105
53 SER LEU ASN TYR ILE ILE LYS VAL LYS GLU 0.473333 0.898305
54 ASP ASN ARG LEU GLY LEU VAL TYR GLN PHE 0.472868 0.803571
55 PHE GLU ASP LEU ARG LEU LEU SER PHE 0.471831 0.806452
56 THR ASN GLU PHE TYR PHE 0.471545 0.785714
57 VAL GLN GLN GLU SER SER PHE VAL MET 0.470588 0.783333
58 SER ALA ASN SER PHE THR LEU ILE GLY GLU 0.466216 0.859649
59 ARG PRO GLY ASN PHE PHE GLN ASN ARG PRO 0.465116 0.77193
60 THR SER THR LEU GLN GLU GLN ILE GLY TRP 0.464968 0.825397
61 THR LEU MET THR GLY GLN LEU GLY LEU PHE 0.464567 0.75
62 SER LEU PHE ASN THR VAL ALA THR LEU 0.464286 0.821429
63 SER LEU TYR ASN THR VAL ALA THR LEU 0.464286 0.875
64 LEU TYR LEU VAL CYS GLY GLU ARG VAL 0.464052 0.777778
65 ALA GLU THR PHE TYR VAL ASP GLY 0.463235 0.857143
66 PHE ARG TYR LEU GLY 0.463235 0.806452
67 MET LEU TRP GLY TYR LEU GLN TYR VAL 0.461538 0.757576
68 GLU ILE ILE ASN PHE GLU LYS LEU 0.461538 0.762712
69 SER LEU TYR ASN VAL VAL ALA THR LEU 0.460993 0.875
70 HIS LEU TYR PHE SER SEP ASN 0.46 0.732394
71 GLY GLY LYS LYS LYS TYR GLN LEU 0.459259 0.827586
72 GLY SER HIS LEU GLU VAL GLN GLY TYR TRP 0.458824 0.859375
73 ALA LEU TYR ASN THR ALA ALA ALA LEU 0.458647 0.821429
74 ASP ALA ASP GLU TYR LEU 0.458015 0.803571
75 SER ILE ILE GLN PHE GLU HIS LEU 0.455782 0.765625
76 SER GLN ASN TYR 0.454545 0.839286
77 GLN TYR PHE MET TPO GLU PTR VAL ALA 0.453988 0.753623
78 ALA ALA SER LEU TYR GLU LYS LYS ALA ALA 0.453901 0.87931
79 ALA VAL TYR ASN PHE ALA THR MET 0.451389 0.833333
80 LEU TYR LEU VAL CYS GLY GLU ARG GLY 0.45098 0.777778
81 ACE SER LEU ASN PHE 0.45082 0.789474
82 SER LEU TYR ASN THR ILE ALA THR LEU 0.450704 0.877193
83 ACE ILE TYR GLU SER LEU 0.450382 0.842105
84 PHE GLU ASP LEU ARG VAL LEU SER PHE 0.450331 0.806452
85 PHE GLU ASP LEU ARG VAL SER SER PHE 0.450331 0.806452
86 GLY ALA GLN THR PHE TYR VAL ASP GLY ALA 0.447552 0.928571
87 GLU LEU ASP LYS TYR ALA SER 0.446809 0.894737
88 FME TYR PHE ILE ASN ILE LEU THR LEU 0.446667 0.836066
89 LYS LEU PHE SER PHE GLY GLY 0.446154 0.810345
90 GLU THR PHE TYR VAL ASP GLY 0.446043 0.928571
91 PHE LEU ARG GLY ARG ALA TYR GLY LEU 0.445946 0.822581
92 PHE LEU ARG GLY ARG ALA TYR VAL LEU 0.445161 0.822581
93 ALA VAL TYR ASP GLY ARG GLU HIS THR VAL 0.444444 0.779412
94 CYS VAL ASN GLY SER CYS PHE THR VAL 0.444444 0.842105
95 GLU GLU TYR LEU LYS ALA TRP THR PHE 0.443114 0.8125
96 GLU GLU PHE GLY ARG ALA PHE SER PHE 0.442953 0.758065
97 THR PHE LYS LYS THR ASN 0.442748 0.810345
98 GLY VAL TYR ASP GLY ARG GLU HIS THR VAL 0.441718 0.779412
99 LEU GLU LYS ALA ARG GLY SER THR TYR 0.440994 0.828125
100 ARG PRO GLY ASN PHE LEU GLN SER ARG PRO 0.439759 0.653333
101 ARG PHE MET ASP TYR TRP GLU GLY LEU 0.438596 0.708333
102 THR THR ALA PRO PHE LEU SER GLY LYS 0.4375 0.724638
103 ASP ASN TRP GLN ASN GLY THR SER 0.437086 0.790323
104 PRO GLU SEP LEU GLU SER CYS PHE 0.435714 0.707692
105 SER ILE ILE GLY PHE GLU LYS LEU 0.435374 0.827586
106 ARG TYR GLY PHE VAL ALA ASN PHE 0.434211 0.83871
107 GLN PHE LYS ASP ASN VAL ILE LEU LEU 0.434211 0.810345
108 ASP ASP ASP MET GLY PHE GLY LEU PHE ASP 0.434109 0.785714
109 GLY LEU MET TRP LEU SER TYR PHE VAL 0.433121 0.80303
110 THR ASN GLU TYR LYS VAL 0.432836 0.859649
111 THR ASN GLU TYR TYR VAL 0.432 0.839286
112 TYR GLN SER LYS LEU 0.431818 0.894737
113 ILE ASN PHE ASP PHE ASN THR ILE 0.431818 0.807018
114 ARG PRO GLY ASN PHE LEU GLN ASN ARG PRO 0.431507 0.709677
115 ARG ARG ILE TYR ASP LEU ILE GLU LEU 0.431373 0.765625
116 VAL ASN ASP ILE PHE GLU ALA ILE 0.430556 0.754386
117 GZB VAL LEU DQK GLU TYR GLY VAL 0.430233 0.790323
118 SER PHE PHE GLU ASP ASN PHE VAL PRO GLU 0.42953 0.776119
119 ASP PHE GLU GLU ILE 0.428571 0.684211
120 THR PHE GLN ALA PSA LEU ARG GLU 0.428571 0.809524
121 ILE ARG LYS ILE LEU PHE LEU ASP GLY ILE 0.427673 0.666667
122 ALA THR ARG ASN PHE SER GLY 0.426573 0.774194
123 SER GLN LEU LYS ASN ASN ALA LYS GLU ILE 0.425532 0.79661
124 GLY TYR GLU ASN PRO THR TYR LYS PHE PHE 0.42515 0.764706
125 TYR GLY GLY PHE LEU 0.424242 0.842105
126 MET PHE SER ILE ASP ASN ILE LEU ALA 0.423841 0.786885
127 ASN ALA LEU LEU ARG TYR LEU LEU ASP 0.423611 0.822581
128 PHE LEU ALA TYR LYS 0.423358 0.842105
129 GLY SER TYR LEU VAL THR SER VAL 0.422222 0.892857
130 ARG PRO GLY ASN PHE LEU GLN SER ARG LEU 0.421965 0.662162
131 ARG GLY TYR VAL TYR GLN GLY LEU 0.42 0.806452
132 TYR GLN PHE 0.418033 0.732143
133 GLU TYR LEU GLY LEU ASP VAL PRO VAL 0.417722 0.731343
134 LYS MET ASP SEP PHE LEU ASP MET GLN LEU 0.417722 0.671429
135 GLU ASP GLU ASP PHE GLU ILE LEU SEP LEU 0.417722 0.676923
136 LEU ALA SER LEU GLU SER GLN SER 0.417323 0.785714
137 ASP PHE GLU GLU ILE PRO GLY GLU TYR LEU 0.416667 0.73913
138 SER ASP TYR GLN ARG LEU 0.416058 0.774194
139 LYS MET ASN THR GLN PHE THR ALA VAL 0.415584 0.790323
140 ILE SER TYR GLY ASN ASP ALA LEU MET PRO 0.414201 0.75
141 VAL CYS TRP GLY GLU LEU MET ASN LEU 0.41358 0.742424
142 ARG THR PHE SER PRO THR TYR GLY LEU 0.413174 0.753425
143 LEU LEU PHE GLY PHE PRO VAL TYR VAL 0.4125 0.746269
144 LEU LEU PHE GLY TYR PRO VAL TYR VAL 0.4125 0.746269
145 GLU LEU ASN ARG LYS MET ILE TYR MET 0.412121 0.724638
146 GLU THR VAL ARG PHE GLN SER ASP 0.411765 0.758065
147 SER ILE TYR PHE TPO PRO GLU LEU TYR ASP 0.411429 0.733333
148 LEU LEU PHE GLY LYS PRO VAL TYR VAL 0.411043 0.724638
149 LEU PRO SER PHE GLU THR ALA LEU 0.410256 0.746269
150 THR PRO TYR ASP ILE ASN GLN MET LEU 0.409639 0.722222
151 ASN GLY TYR GLU ASN PRO THR TYR LYS 0.409639 0.764706
152 GLU LEU ASP 1OL VAL GLU PHE 0.409396 0.736842
153 ILE LEU ALA LYS PHE LEU HIS GLU LEU 0.409091 0.692308
154 ASP TYR ASN PRO TYR LEU LEU PHE LEU LYS 0.408805 0.794118
155 SER LEU PHE ASN THR ILE ALA VAL LEU 0.407895 0.807018
156 PHE LEU GLU LYS 0.407692 0.736842
157 LYS VAL LEU PHE LEU ASP GLY 0.407143 0.77193
158 SER LEU TYR LEU THR VAL ALA THR LEU 0.407143 0.839286
159 ALA TRP LEU PHE GLU ALA 0.406897 0.66129
160 VAL VAL SER HIS PHE ASN ASP 0.406897 0.746032
161 LYS ALA VAL TYR ASN PHE ALA THR MET 0.406667 0.8
162 TYR LEU ASP SEP GLY ILE HIS SER GLY ALA 0.406061 0.726027
163 ARG GLN ALA ASN PHE LEU GLY LYS ILE ASN 0.406015 0.75
164 LYS PRO ILE VAL GLN TYR ASP ASN PHE 0.405882 0.782609
165 ARG GLN VAL ASN PHE LEU GLY LYS ILE ASN 0.405797 0.75
166 ACE ASN TRP GLU THR PHE 0.405405 0.730159
167 ARG VAL LEU PHE GLU ALA MET 0.405229 0.617647
168 ALA GLN PHE SER ALA SER ALA SER ARG 0.404255 0.741935
169 PHE TYR ARG ALA LEU MET 0.403974 0.727273
170 ARG VAL ALA GLN LEU GLU GLN VAL TYR ILE 0.403846 0.746032
171 ASP SEP TYR GLU VAL LEU ASP LEU 0.403846 0.75
172 SER VAL TYR ASP PHE PHE VAL TRP LEU 0.403846 0.822581
173 SER GLU LEU GLU ILE LYS ARG TYR 0.402597 0.784615
174 ACE GLN ALC ASP LEU PHE 0.401408 0.711864
175 GLU VAL ASN 1OL ALA GLU PHE 0.401316 0.77193
176 ILE ASP TRP PHE GLU GLY LYS GLU 0.401235 0.707692
177 ILE ASP TRP PHE ASP GLY LYS GLU 0.401235 0.734375
178 PHE GLN PRO GLN ASN GLY GLN PHE ILE 0.4 0.681159
179 ALA ALA TRP LEU PHE GLU ALA 0.4 0.66129
180 ACE LEU PHE PHE GLK CF0 GLU 0.4 0.706897
181 TYR ASP GLN ILE LEU 0.4 0.77193
182 SER SER ILE GLU PHE ALA ARG LEU 0.4 0.761905
183 GLY GLY LYS LYS LYS TYR LYS LEU 0.4 0.827586
Similar Ligands (3D)
Ligand no: 1; Ligand: THR GLU ASN LEU TYR PHE GLN SER GLY THR; 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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