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(N...
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
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 312 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 261 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 214 families.
1 4X2V - LEU GLU PHE GLN GLY n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: LEU GLU PHE GLN GLY; Similar ligands found: 95
No: Ligand ECFP6 Tc MDL keys Tc
1 LEU GLU PHE GLN GLY 1 1
2 SER LEU ARG PHE LEU TYR GLU GLY 0.589286 0.716667
3 ASP PHE GLU GLU ILE 0.536842 0.844444
4 LEU ASP GLU GLU THR GLY GLU PHE LEU 0.526786 0.877551
5 ASP PHE GLN GLU SER ALA ASP SER PHE LEU 0.522124 0.788462
6 SER ILE ILE GLN PHE GLU HIS LEU 0.5 0.694915
7 GLU GLU TYR LEU GLN ALA PHE THR TYR 0.495868 0.735849
8 ASP ALA GLU PHE ARG HIS ASP 0.495495 0.8
9 LEU ARG ASN GLN SER VAL PHE ASN PHE 0.487603 0.711864
10 ARG GLN ALA ASN PHE LEU GLY LYS ILE ASN 0.485437 0.847826
11 VAL GLN GLN GLU SER SER PHE VAL MET 0.482143 0.773585
12 LYS LEU PHE SER PHE GLY GLY 0.480769 0.769231
13 GLY ALA GLN THR PHE TYR VAL ASP GLY ALA 0.478632 0.759259
14 ARG PRO GLY ASN PHE PHE GLN ASN ARG PRO 0.47619 0.72549
15 THR GLU ASN LEU TYR PHE GLN SER GLY THR 0.47619 0.767857
16 ASP PHE GLU ASP TYR GLU PHE ASP 0.47619 0.666667
17 PHE LEU GLU LYS 0.475248 0.954545
18 SER GLY ILE PHE LEU GLU THR SER 0.472727 0.784314
19 THR ASN GLU PHE TYR ALA 0.472222 0.654545
20 GLU ILE ILE ASN PHE GLU LYS LEU 0.470588 0.857143
21 GLU GLN TYR LYS PHE TYR SER VAL 0.470085 0.732143
22 SER PHE ALA ASN GLY 0.47 0.74
23 THR ASN GLU PHE ALA PHE 0.47 0.729167
24 ACE LEU PHE PHE GLK CF0 GLU 0.46875 0.755102
25 GLU ASN LEU TYR PHE GLN 0.468468 0.735849
26 SER ILE ILE ASN PHE GLU LYS LEU 0.466667 0.807692
27 ALA TRP LEU PHE GLU ALA 0.465517 0.730769
28 ACE GLU ASN LEU TYR PHE GLN SER GLY THR 0.465517 0.722222
29 GLU ASP GLU ASP PHE GLU ILE LEU SER LEU 0.463415 0.803922
30 TYR GLN PHE 0.463158 0.68
31 ASP LEU TYR CYS TYR GLU GLN LEU ASN 0.461538 0.745455
32 ASP PHE GLU LYS GLU GLY TYR SER LEU 0.460938 0.754386
33 GLU ASN GLN LYS GLU TYR PHE PHE 0.459459 0.690909
34 ASP ASN ARG LEU GLY LEU VAL TYR GLN PHE 0.457944 0.76
35 GLU THR VAL ARG PHE GLN SER ASP 0.456 0.745455
36 THR ASN GLU PHE TYR PHE 0.455446 0.641509
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 THR LEU MET THR GLY GLN LEU GLY LEU PHE 0.447619 0.976744
40 PHE ARG TYR LEU GLY 0.447368 0.767857
41 SER PHE PHE GLU ASP ASN PHE VAL PRO GLU 0.443548 0.65625
42 ACE VAL PHE PHE ALA GLU ASP NH2 0.443396 0.804348
43 ALA ALA TRP LEU PHE GLU ALA 0.442623 0.730769
44 ASP GLU PTR GLU ASN VAL ASP 0.442478 0.644068
45 TYR GLU LEU ASP GLU LYS PHE ASP ARG LEU 0.44186 0.7
46 ALA THR PRO PHE GLN GLU 0.441667 0.689655
47 SER GLU ILE GLU PHE ALA ARG LEU 0.44 0.763636
48 PHE GLN TRP MET GLY TYR GLU LEU TRP 0.439716 0.704918
49 SER ILE ILE GLY PHE GLU LYS LEU 0.439024 0.86
50 GLY ILE LEU GLU PHE VAL PHE THR LEU 0.436975 0.803922
51 ASP ALA GLU PHE ARG HIS ASP SER 0.436508 0.661017
52 SEP GLN GLU TYR NH2 0.432692 0.6
53 LEU ALA SER LEU GLU SER GLN SER 0.431373 0.77551
54 ASP ALA ASP GLU GLU ASP PHE 0.431373 0.804348
55 GLU GLU ASN LEU LEU ASP PHE VAL ARG PHE 0.430769 0.75
56 LEU TYR LEU VAL CYS GLY GLU ARG GLY PHE 0.430657 0.741379
57 ILE LEU ALA LYS PHE LEU HIS GLU LEU 0.429688 0.763636
58 GLN TYR PHE MET TPO GLU PTR VAL ALA 0.429577 0.636364
59 ALA GLU THR PHE 0.428571 0.75
60 SER SER LEU GLU ASN PHE ARG ALA TYR VAL 0.428571 0.677419
61 LYS MET ASP SEP PHE LEU ASP MET GLN LEU 0.428571 0.677419
62 SER SER LEU GLU ASN PHE ALA ALA TYR VAL 0.426357 0.714286
63 GLY ASN PHE LEU GLN SER ARG 0.42623 0.767857
64 ALA GLN PHE SER ALA SER ALA SER ARG 0.426087 0.727273
65 GLU GLU PHE GLY ARG ALA PHE SER PHE 0.425197 0.714286
66 SEP GLN GLU PTR 0.424528 0.610169
67 SER GLN TYR TYR TYR ASN SER LEU 0.423423 0.714286
68 PHE GLU ASP LEU ARG LEU LEU SER PHE 0.422764 0.736842
69 ALA GLU THR PHE TYR VAL ASP GLY 0.422414 0.685185
70 VAL ASN ASP ILE PHE GLU ALA ILE 0.421488 0.77551
71 LYS GLN TRP LEU VAL TRP LEU PHE LEU 0.421053 0.777778
72 GLY ALA PHE THR PHE ASN GLU ASP PHE 0.421053 0.660377
73 ACE PHE ASP GLU MET GLU GLU CYS 0.420561 0.78
74 SER SER ILE GLU PHE ALA ARG LEU 0.418605 0.75
75 SER GLU ASP GLU PHE TYR ASP ALA LEU SER 0.417323 0.759259
76 ALA THR ARG ASN PHE SER GLY 0.416667 0.701754
77 GLY ALA ASP ILE PHE TYR LEU ASP GLY ALA 0.415254 0.730769
78 ARG ABA GLN ILE PHE ALA ASN ILE 0.414634 0.87234
79 PHE ARG SER LYS GLY GLU GLU LEU PHE THR 0.414414 0.678571
80 ASP ALA ASP GLU TYR LEU 0.414414 0.76
81 PHE GLU ALA ASN GLY ASN LEU ILE 0.41129 0.857143
82 ASP ASP ASP MET GLY PHE GLY LEU PHE ASP 0.411215 0.891304
83 ASP ALA ASP GLU FTY LEU NH2 0.410256 0.678571
84 THR PHE GLN ALA PSA LEU ARG GLU 0.410072 0.741379
85 LEU PRO SER PHE GLU THR ALA LEU 0.409091 0.704918
86 GLU ARG GLU SEP GLU PHE ASP ILE GLU ASP 0.408759 0.66129
87 GLU ASP GLU ASP PHE GLU ILE LEU SEP LEU 0.407407 0.714286
88 ACE MET GLU GLU VAL PHE 0.40566 0.8125
89 TRP GLU GLU LEU 0.40566 0.764706
90 KI2 PHE GLU GLU NH2 0.405405 0.654545
91 PHE ALA GLN 0.404255 0.790698
92 LEU LYS SER MLZ LYS GLY GLN SER THR TYR 0.403846 0.722222
93 ARG VAL LEU PHE GLU ALA MET 0.403101 0.763636
94 ARG PRO GLY ASN PHE LEU GLN ASN ARG PRO 0.4 0.788462
95 LEU LEU TYR GLY PHE VAL ASN TYR VAL 0.4 0.773585
Similar Ligands (3D)
Ligand no: 1; Ligand: LEU GLU PHE GLN GLY; 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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