Receptor
PDB id Resolution Class Description Source Keywords
5AZG 1.81 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF LGG-1 COMPLEXED WITH A UNC-51 PEPTIDE CAENORHABDITIS ELEGANS AUTOPHAGY UBIQUITIN-LIKE PROTEIN BINDING
Ref.: STRUCTURAL BASIS OF THE DIFFERENTIAL FUNCTION OF TH ELEGANS ATG8 HOMOLOGS, LGG-1 AND LGG-2, IN AUTOPHAG MOL.CELL V. 60 914 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CD A:202;
A:203;
A:207;
A:206;
B:201;
B:202;
B:206;
B:204;
A:205;
A:208;
B:203;
A:204;
B:205;
A:201;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
 submit data
112.411 Cd [Cd+2...
TYR GLN GLU SER THR ASP PHE THR PHE LEU C:357;
D:356;
 Valid;
Valid;
 Atoms found LESS than expected: % Diff = 0.483;
Atoms found LESS than expected: % Diff = 0.404;
 Kd = 2.9 uM
740.811 n/a O=C([...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5AZG 1.81 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF LGG-1 COMPLEXED WITH A UNC-51 PEPTIDE CAENORHABDITIS ELEGANS AUTOPHAGY UBIQUITIN-LIKE PROTEIN BINDING
Ref.: STRUCTURAL BASIS OF THE DIFFERENTIAL FUNCTION OF TH ELEGANS ATG8 HOMOLOGS, LGG-1 AND LGG-2, IN AUTOPHAG MOL.CELL V. 60 914 2015
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 5AZG Kd = 2.9 uM TYR GLN GLU SER THR ASP PHE THR PHE LEU n/a n/a
2 5AZF Kd = 36.1 uM TRP GLU GLU LEU n/a n/a
70% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 5AZG Kd = 2.9 uM TYR GLN GLU SER THR ASP PHE THR PHE LEU n/a n/a
2 5AZF Kd = 36.1 uM TRP GLU GLU LEU n/a n/a
3 7BRN - ALE C9 H13 N O3 CNC[C@@H](....
4 5L83 - ASP TRP GLU ILE VAL n/a n/a
5 5LXI - GLU ASP GLU ASP PHE GLU ILE LEU SEP LEU n/a n/a
6 6HOI - SER ALA ASN SER PHE THR LEU ILE GLY GLU n/a n/a
7 5LXH - GLU ASP GLU ASP PHE GLU ILE LEU SER LEU n/a n/a
50% Homology Family (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 5AZG Kd = 2.9 uM TYR GLN GLU SER THR ASP PHE THR PHE LEU n/a n/a
2 5AZF Kd = 36.1 uM TRP GLU GLU LEU n/a n/a
3 5E6O Kd = 76.9 uM TRP GLU GLU LEU n/a n/a
4 7BRN - ALE C9 H13 N O3 CNC[C@@H](....
5 5GMV Kd = 0.59 uM ASP SEP TYR GLU VAL LEU ASP LEU n/a n/a
6 5L83 - ASP TRP GLU ILE VAL n/a n/a
7 5LXI - GLU ASP GLU ASP PHE GLU ILE LEU SEP LEU n/a n/a
8 6HOI - SER ALA ASN SER PHE THR LEU ILE GLY GLU n/a n/a
9 5LXH - GLU ASP GLU ASP PHE GLU ILE LEU SER LEU n/a n/a
10 4EOY - ASN ASP TRP LEU LEU PRO SER TYR n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: TYR GLN GLU SER THR ASP PHE THR PHE LEU; Similar ligands found: 93
No: Ligand ECFP6 Tc MDL keys Tc
1 TYR GLN GLU SER THR ASP PHE THR PHE LEU 1 1
2 LYS VAL ILE THR PHE ILE ASP LEU 0.622642 0.807692
3 ILE ASN PHE ASP PHE ASN THR ILE 0.571429 0.895833
4 GLY ALA PHE THR PHE ASN GLU ASP PHE 0.563107 0.854167
5 LEU ASP GLU GLU THR GLY GLU PHE LEU 0.559633 0.823529
6 SER LEU PHE ASN THR VAL ALA THR LEU 0.545455 0.875
7 ASN GLN LEU ALA TRP PHE ASP THR ASP LEU 0.540323 0.830189
8 GLY ILE LEU GLU PHE VAL PHE THR LEU 0.531532 0.86
9 THR PRO ASP TYR PHE LEU 0.529412 0.694915
10 GLU THR PHE TYR VAL ASP GLY 0.509091 0.811321
11 GLY ILE LEU GLY LEU VAL PHE THR LEU 0.508929 0.82
12 GLY ALA GLN THR PHE TYR VAL ASP GLY ALA 0.508772 0.811321
13 SER VAL TYR ASP PHE PHE VAL TRP LEU 0.495935 0.77193
14 FME TYR PHE ILE ASN ILE LEU THR LEU 0.491803 0.785714
15 SER GLY ILE PHE LEU GLU THR SER 0.490741 0.84
16 ASP PHE GLN GLU SER ALA ASP SER PHE LEU 0.486957 0.843137
17 GLY ALA GLU THR PHE TYR VAL ASP GLY ALA 0.483333 0.796296
18 THR PHE LYS LYS THR ASN 0.480769 0.754717
19 ALA GLU THR PHE TYR VAL ASP GLY 0.477477 0.877551
20 GLU ILE ILE ASN PHE GLU LYS LEU 0.474576 0.703704
21 CYS THR PHE LYS THR LYS THR ASN 0.472222 0.740741
22 SER ILE ILE ASN PHE GLU LYS LEU 0.470588 0.759259
23 ALA LEU ASP LEU PHE 0.466667 0.840909
24 GLN PHE LYS ASP ASN VAL ILE LEU LEU 0.464 0.722222
25 GLU GLU TYR LEU GLN ALA PHE THR TYR 0.463415 0.86
26 ALA GLU THR PHE 0.463158 0.847826
27 ASP ASN ARG LEU GLY LEU VAL TYR GLN PHE 0.462264 0.816327
28 ALA VAL TYR ASN PHE ALA THR MET 0.462185 0.814815
29 GLY ASN TYR SER PHE TYR ALA LEU 0.459459 0.830189
30 ALA LEU TYR ASN THR ALA ALA ALA LEU 0.458716 0.875
31 ACE LEU PHE PHE GLK CF0 GLU 0.458333 0.8125
32 PHE LEU 0.452381 0.75
33 ASP PHE ALA ASN THR PHE LEU PRO 0.451613 0.698413
34 LEU VAL THR LEU VAL PHE VAL 0.447619 0.886364
35 ALA PHE THR SER 0.446809 0.787234
36 GLU ASN LEU TYR PHE GLN 0.446429 0.823529
37 ILE LEU ALA LYS PHE LEU HIS THR LEU 0.445312 0.672131
38 SER ALA ASN SER PHE THR LEU ILE GLY GLU 0.444444 0.807692
39 SER LEU TYR ASN THR VAL ALA THR LEU 0.440678 0.823529
40 CYS ASP PTR ALA ASN PHE LYS 0.438776 0.673077
41 SER LEU TYR ASN VAL VAL ALA THR LEU 0.436975 0.823529
42 LYS ALA VAL PHE ASN PHE ALA THR MET 0.435897 0.823529
43 LYS LYS SER LYS THR LYS CYS VAL ILE PHE 0.435185 0.836735
44 GLY ILE TRP GLY PHE VAL PHE THR LEU 0.435115 0.754386
45 TYR GLU LEU ASP GLU LYS PHE ASP ARG LEU 0.434109 0.688525
46 LYS VAL LEU PHE LEU ASP GLY 0.433628 0.711538
47 GLY ALA GLU VAL PHE TYR VAL ASP GLY ALA 0.433333 0.740741
48 GLU THR LEU GLU ASP SER VAL PHE 0.43299 0.851064
49 ASP PHE M3L THR ASP 0.432432 0.7
50 TRP ASN TRP PHE ASP ILE THR ASN LYS 0.431818 0.781818
51 GLU ASP GLU ASP PHE GLU ILE LEU SEP LEU 0.431818 0.672414
52 ASP ALA ASP GLU TYR LEU 0.431193 0.816327
53 ACE PHE HIS THR ABA NH2 0.429907 0.678571
54 ACE ASN TRP GLU THR PHE 0.429752 0.763636
55 CYS VAL ASN GLY SER CYS PHE THR VAL 0.429752 0.788462
56 ASP ASP ASP MET GLY PHE GLY LEU PHE ASP 0.428571 0.795918
57 TYR ASP GLN ILE LEU 0.425926 0.78
58 SER LEU PHE ASN THR VAL ALA THR LEU TYR 0.425197 0.843137
59 SER LEU TYR ASN THR ILE ALA THR LEU 0.425 0.792453
60 VAL ASN ASP ILE PHE GLU ALA ILE 0.425 0.795918
61 ASP PHE SER ILE 0.424242 0.833333
62 GLU GLU ASN LEU LEU ASP PHE VAL ARG PHE 0.423077 0.706897
63 LEU PRO SER PHE GLU THR ALA LEU 0.423077 0.666667
64 SER LEU TYR LEU THR VAL ALA THR LEU 0.421053 0.82
65 SER ILE ILE GLN PHE GLU HIS LEU 0.420635 0.683333
66 GLU ASP GLU ASP PHE GLU ILE LEU SER LEU 0.420635 0.788462
67 SER LEU PHE ASN THR ILE ALA VAL LEU 0.420635 0.82
68 VAL VAL SER HIS PHE ASN ASP 0.420168 0.719298
69 ACE SER LEU ASN PHE 0.42 0.836735
70 ARG GLN VAL ASN PHE LEU GLY LYS ILE ASN 0.419643 0.72
71 GLY ILE ILE ASN THR LEU 0.418367 0.78
72 PHE LEU THR GLY ILE GLY ILE ILE THR VAL 0.417391 0.857143
73 MET PHE SER ILE ASP ASN ILE LEU ALA 0.417323 0.732143
74 TYR GLY GLY PHE LEU 0.416667 0.754717
75 LEU LEU TYR GLY PHE VAL ASN TYR VAL 0.414634 0.792453
76 LEU LEU TYR GLY PHE VAL ASN TYR ILE 0.412698 0.777778
77 LEU PRO PHE ASP LYS THR THR ILE MET 0.411348 0.617647
78 LEU GLY TYR GLY PHE VAL ASN TYR ILE 0.41129 0.777778
79 THR ASN GLU PHE TYR ALA 0.410714 0.84
80 GLY ILE LEU GLY PHE VAL PHE THR LEU 0.409836 0.84
81 PRO GLU GLY ASP PM3 GLU GLU VAL LEU 0.409836 0.655172
82 ACE LEU PHE 0.409091 0.755556
83 LYS ALA VAL TYR ASN PHE ALA THR MET 0.408 0.777778
84 CYS VAL PHE MET 0.407767 0.705882
85 ARG GLN ALA ASN PHE LEU GLY LYS 0.40708 0.745098
86 SER ASP TYR GLN ARG LEU 0.40708 0.661017
87 ILE THR ASP GLN VAL PRO PHE SER VAL 0.405797 0.65625
88 THR ASN GLU PHE TYR PHE 0.403846 0.76
89 PHE LEU PRO SER ASP PHE PHE PRO SER VAL 0.403101 0.661538
90 SER GLN TYR TYR TYR ASN SER LEU 0.401786 0.830189
91 SER PHE PHE GLU ASP ASN PHE VAL PRO GLU 0.401575 0.646154
92 PHE PRO THR LYS ASP VAL ALA LEU 0.40146 0.666667
93 ASP PHE GLU ASP TYR GLU PHE ASP 0.4 0.75
Similar Ligands (3D)
Ligand no: 1; Ligand: TYR GLN GLU SER THR ASP PHE THR PHE LEU; 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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