Receptor
PDB id Resolution Class Description Source Keywords
4X2V 2.3 Å EC: 3.-.-.- CRYSTAL STRUCTURE OF THE MURINE NOROVIRUS NS6 PROTEASE (INAC MUTANT) WITH A C-TERMINAL EXTENSION TO INCLUDE RESIDUE P1 PN S7 MURINE NOROVIRUS 1 MURINE NOROVIRUS PROTEASE HYDROLASE
Ref.: STRUCTURE DETERMINATION OF MURINE NOROVIRUS NS6 PRO WITH C-TERMINAL EXTENSIONS DESIGNED TO PROBE PROTEASE-SUBSTRATE INTERACTIONS. PEERJ V. 3 E798 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
LEU GLU PHE GLN GLY E:180;
Valid;
Atoms found LESS than expected: % Diff = 0.024;
submit data
576.651 n/a O=C([...
IMD D:201;
Invalid;
none;
submit data
69.085 C3 H5 N2 c1c[n...
UNK UNK UNK UNK UNK UNK UNK F:1;
Invalid;
none;
submit data n/a n/a n/a n/a
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4X2V 2.3 Å EC: 3.-.-.- CRYSTAL STRUCTURE OF THE MURINE NOROVIRUS NS6 PROTEASE (INAC MUTANT) WITH A C-TERMINAL EXTENSION TO INCLUDE RESIDUE P1 PN S7 MURINE NOROVIRUS 1 MURINE NOROVIRUS PROTEASE HYDROLASE
Ref.: STRUCTURE DETERMINATION OF MURINE NOROVIRUS NS6 PRO WITH C-TERMINAL EXTENSIONS DESIGNED TO PROBE PROTEASE-SUBSTRATE INTERACTIONS. PEERJ V. 3 E798 2015
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 218 families.
1 4X2V - LEU GLU PHE GLN GLY n/a n/a
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 176 families.
1 4X2V - LEU GLU PHE GLN GLY n/a n/a
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 143 families.
1 4X2V - LEU GLU PHE GLN GLY n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: LEU GLU PHE GLN GLY; Similar ligands found: 103
No: Ligand ECFP6 Tc MDL keys Tc
1 LEU GLU PHE GLN GLY 1 1
2 GLU THR LEU LEU ASP LEU ASP PHE LEU GLU 0.546392 0.782609
3 GLU ASN GLN LYS GLU TYR PHE PHE 0.542857 0.685185
4 THR ASN GLU PHE ALA PHE 0.536082 0.744681
5 ASP PHE GLU GLU ILE 0.53125 0.822222
6 LEU ASP GLU GLU THR GLY GLU PHE LEU 0.526786 0.857143
7 THR ASN GLU PHE TYR PHE 0.520408 0.653846
8 THR TYR LYS PHE PHE GLU GLN 0.504673 0.690909
9 GLU ASN PRO THR TYR LYS PHE PHE GLU GLN 0.504673 0.690909
10 GLY ALA GLN THR PHE TYR VAL ASP GLY ALA 0.504348 0.759259
11 GLU GLU TYR LEU GLN ALA PHE THR TYR 0.504202 0.735849
12 THR GLU ASP ASN ASP ASP ASP LEU TYR GLY 0.5 0.8125
13 GLU GLN TYR LYS PHE TYR SER VAL 0.5 0.732143
14 PHE LEU GLU LYS 0.5 0.909091
15 SER ILE ILE ASN PHE GLU LYS LEU 0.491379 0.807692
16 GLU ILE ILE ASN PHE GLU LYS LEU 0.491379 0.836735
17 ASP PHE GLU ASP TYR GLU PHE ASP 0.490385 0.653846
18 ASP ASN ARG LEU GLY LEU VAL TYR GLN PHE 0.489796 0.74
19 ACE LEU PHE PHE GLK CF0 GLU 0.485437 0.755102
20 ARG GLN ALA ASN PHE LEU GLY LYS ILE ASN 0.485437 0.847826
21 VAL GLN GLN GLU SER SER PHE VAL MET 0.482143 0.773585
22 ARG PRO GLY ASN PHE PHE GLN ASN ARG PRO 0.480769 0.745098
23 GLU ASN LEU TYR PHE GLN 0.477064 0.735849
24 GLY ARG PHE GLN VAL THR 0.471698 0.816327
25 SER PHE ALA ASN GLY 0.47 0.74
26 ALA TRP LEU PHE GLU ALA 0.469565 0.711538
27 GLY ALA PHE THR PHE ASN GLU ASP PHE 0.468468 0.660377
28 THR ASN GLU PHE TYR ALA 0.46789 0.654545
29 ASP LEU TYR CYS TYR GLU GLN LEU ASN 0.465517 0.745455
30 THR GLU ASN LEU TYR PHE GLN SER GLY THR 0.460938 0.767857
31 GLU THR VAL ARG PHE GLN SER ASP 0.460317 0.732143
32 TYR GLU LEU ASP GLU LYS PHE ASP ARG LEU 0.460317 0.7
33 SER GLU ASP GLU PHE TYR ASP ALA LEU SER 0.459016 0.740741
34 TYR GLN PHE 0.458333 0.68
35 SER ILE ILE GLY PHE GLU LYS LEU 0.458333 0.84
36 GLU ASP GLU ASP PHE GLU ILE LEU SER LEU 0.454545 0.784314
37 ARG GLN VAL ASN PHE LEU GLY LYS ILE ASN 0.454545 0.847826
38 LEU TYR ALA SER PRO GLN LEU GLU GLY PHE 0.450704 0.671875
39 LYS MET ASP SEP PHE LEU ASP MET GLN LEU 0.449612 0.66129
40 ASN TRP SER HIS PRO GLN PHE GLU LYS 0.449612 0.633333
41 PHE ARG TYR LEU GLY 0.447368 0.767857
42 SER GLU ILE GLU PHE ALA ARG LEU 0.447154 0.763636
43 ALA ALA TRP LEU PHE GLU ALA 0.446281 0.711538
44 ASP ALA GLU PHE ARG HIS ASP 0.444444 0.661017
45 GLU GLU PHE GLY ARG ALA PHE SER PHE 0.443548 0.714286
46 SER PHE PHE GLU ASP ASN PHE VAL PRO GLU 0.443548 0.65625
47 ASP ALA GLU PHE ARG HIS ASP SER 0.443548 0.661017
48 THR LEU MET THR GLY GLN LEU GLY LEU PHE 0.443396 0.976744
49 GLY ASN PHE LEU GLN SER ARG 0.441667 0.767857
50 SER ASP TYR GLN ARG LEU 0.441441 0.763636
51 THR ASN GLU TYR TYR VAL 0.441176 0.711538
52 GLU GLU ASN LEU LEU ASP PHE VAL ARG PHE 0.440945 0.75
53 THR ASN GLU TYR LYS VAL 0.440367 0.784314
54 PHE GLN TRP MET GLY TYR GLU LEU TRP 0.439716 0.704918
55 ACE VAL PHE PHE ALA GLU ASP NH2 0.439252 0.782609
56 ASP ALA ASP GLU FTY LEU NH2 0.439252 0.672727
57 ALA GLU THR PHE 0.438776 0.729167
58 ARG PRO GLY ASN PHE LEU GLN ASN ARG PRO 0.438017 0.788462
59 ALA GLN PHE SER ALA SER ALA SER ARG 0.4375 0.727273
60 LEU TYR LEU VAL CYS GLY GLU ARG GLY PHE 0.437037 0.741379
61 GLN TYR PHE MET TPO GLU PTR VAL ALA 0.432624 0.636364
62 ILE LEU ALA LYS PHE LEU HIS GLU LEU 0.429688 0.727273
63 ARG VAL LEU PHE GLU ALA MET 0.428571 0.763636
64 ALA THR ARG ASN PHE SER GLY 0.428571 0.701754
65 SER GLN TYR TYR TYR ASN SER LEU 0.427273 0.714286
66 SER SER LEU GLU ASN PHE ALA ALA TYR VAL 0.426357 0.714286
67 LEU SER PRO ASP SER PHE LEU ASN ASP 0.425532 0.729167
68 SER SER ILE GLU PHE ALA ARG LEU 0.425197 0.75
69 GLY ILE LEU GLU PHE VAL PHE THR LEU 0.425 0.764706
70 GLY GLY LYS LYS LYS TYR GLN LEU 0.424779 0.86
71 SEP GLN GLU PTR 0.424528 0.610169
72 SER SER LEU GLU ASN PHE ARG ALA TYR VAL 0.42446 0.677419
73 LYS ALC LYS 0.423913 0.777778
74 PRO GLU SEP LEU GLU SER CYS PHE 0.423729 0.672414
75 ALA GLU THR PHE TYR VAL ASP GLY 0.422414 0.666667
76 LEU ALA SER LEU GLU SER GLN SER 0.421569 0.77551
77 GLY ALA ASP ILE PHE TYR LEU ASP GLY ALA 0.420168 0.730769
78 THR LYS ASN TYR LYS GLN PHE SER VAL 0.420168 0.719298
79 SEP GLN GLU TYR NH2 0.419048 0.6
80 ASP ALA ASP GLU TYR LEU 0.418182 0.74
81 ACE GLU ASN LEU TYR PHE GLN SER GLY THR 0.418033 0.722222
82 LEU ASP GLU PTR VAL ALA THR ARG 0.416667 0.631579
83 LEU LYS SER MLZ LYS GLY GLN SER THR TYR 0.415842 0.703704
84 GLU ARG GLU SEP GLU PHE ASP ILE GLU ASP 0.414815 0.66129
85 PHE GLY GLY 0.414634 0.627907
86 PHE VAL PHE LEU GLU ILE NH2 0.413793 0.804348
87 LYS VAL LEU PHE LEU ASP GLY 0.412281 0.933333
88 VAL ASN ASP ILE PHE GLU ALA ILE 0.409836 0.77551
89 ASP PHE GLU GLU ILE PRO GLY GLU TYR LEU 0.409722 0.65625
90 GLY ASP GLU VAL LYS VAL PHE ARG 0.408 0.807692
91 PHE GLU ALA ASN GLY ASN LEU ILE 0.408 0.857143
92 PHE ARG SER LYS GLY GLU GLU LEU PHE THR 0.407407 0.711864
93 THR PHE GLN ALA PSA LEU ARG GLU 0.405797 0.741379
94 LEU LEU TYR GLY PHE VAL ASN TYR VAL 0.404762 0.773585
95 GLU ASP GLU ASP PHE GLU ILE LEU SEP LEU 0.404412 0.696429
96 GLN PHE LYS ASP ASN VAL ILE LEU LEU 0.403101 0.82
97 LYS MET ASN THR GLN PHE THR ALA VAL 0.403101 0.732143
98 GLU VAL ASN 1OL ALA GLU PHE 0.401575 0.795918
99 ILE ASP TRP PHE GLU GLY LYS GLU 0.4 0.732143
100 ACE MET GLU GLU VAL PHE 0.4 0.8125
101 LEU VAL THR LEU VAL PHE VAL 0.4 0.6875
102 LYS PHE LYS 0.4 0.711111
103 ALA LEU ASP LEU PHE 0.4 0.795455
Similar Binding Sites (Proteins are less than 50% similar to leader)
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