Receptor
PDB id Resolution Class Description Source Keywords
5lxi 1.44 Å EC: 3.4.22.- GABARAP-L1 ATG4B LIR COMPLEX HOMO SAPIENS LIR GABARAP ATG8 LC3 SIGNALING PROTEIN
Ref.: ATG4B CONTAINS A C-TERMINAL LIR MOTIF IMPORTANT FOR AND EFFICIENT CLEAVAGE OF MAMMALIAN ORTHOLOGS OF YE AUTOPHAGY V. 13 834 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GLU ASP GLU ASP PHE GLU ILE LEU SEP LEU E:386;
C:384;
 Valid;
Valid;
 Atoms found LESS than expected: % Diff = 0.225;
Atoms found MORE than expected: % Diff = 1.034;
 submit data
1239.19 n/a P(=O)...
PER D:206;
D:205;
 Invalid;
Invalid;
 none;
none;
 submit data
31.999 O2 [O-][...
PGE D:203;
D:202;
 Invalid;
Invalid;
 none;
none;
 submit data
150.173 C6 H14 O4 C(COC...
PEG B:203;
 Invalid;
 none;
 submit data
106.12 C4 H10 O3 C(COC...
MG D:201;
B:202;
B:201;
 Part of Protein;
Part of Protein;
Part of Protein;
 none;
none;
none;
 submit data
24.305 Mg [Mg+2...
EDO D:204;
 Invalid;
 none;
 submit data
62.068 C2 H6 O2 C(CO)...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6HOI 1.14 Å EC: 3.4.22.- STRUCTURE OF BECLIN1 LIR MOTIF BOUND TO GABARAPL1 HOMO SAPIENS AUTOPHAGY ATG8 LIR SIGNALING PROTEIN
Ref.: MEMBERS OF THE AUTOPHAGY CLASS III PHOSPHATIDYLINOS 3-KINASE COMPLEX I INTERACT WITH GABARAP AND GABARA LIR MOTIFS. AUTOPHAGY V. 15 1333 2019
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 10 families.
1 5LXI - GLU ASP GLU ASP PHE GLU ILE LEU SEP LEU n/a n/a
2 6HOI - SER ALA ASN SER PHE THR LEU ILE GLY GLU n/a n/a
3 5LXH - GLU ASP GLU ASP PHE GLU ILE LEU SER 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: GLU ASP GLU ASP PHE GLU ILE LEU SEP LEU; Similar ligands found: 110
No: Ligand ECFP6 Tc MDL keys Tc
1 GLU ASP GLU ASP PHE GLU ILE LEU SEP LEU 1 1
2 GLU ASP GLU ASP PHE GLU ILE LEU SER LEU 0.639098 0.789474
3 GLU ARG GLU SEP GLU PHE ASP ILE GLU ASP 0.638298 0.852459
4 LYS MET ASP SEP PHE LEU ASP MET GLN LEU 0.617021 0.83871
5 GLU ILE ILE ASN PHE GLU LYS LEU 0.601504 0.711864
6 SER GLU ILE GLU PHE ALA ARG LEU 0.568345 0.725806
7 GLN PHE LYS ASP ASN VAL ILE LEU LEU 0.56338 0.728814
8 ASP PHE GLN GLU SER ALA ASP SER PHE LEU 0.555556 0.745763
9 VAL ASN ASP ILE PHE GLU ALA ILE 0.555556 0.732143
10 SER SER ILE GLU PHE ALA ARG LEU 0.545455 0.741935
11 SER ILE ILE ASN PHE GLU LYS LEU 0.539568 0.762712
12 ASP SEP TYR GLU VAL LEU ASP LEU 0.537931 0.87931
13 ARG ARG ILE TYR ASP LEU ILE GLU LEU 0.537931 0.666667
14 ASP ALA ASP GLU TYR LEU 0.535433 0.689655
15 GLU GLU TYR LEU GLN ALA PHE THR TYR 0.531469 0.672131
16 GLY ILE LEU GLU PHE VAL PHE THR LEU 0.514493 0.7
17 LEU ASP GLU GLU THR GLY GLU PHE LEU 0.514493 0.728814
18 GLU GLU ASN LEU LEU ASP PHE VAL ARG PHE 0.513514 0.661538
19 TYR GLU LEU ASP GLU LYS PHE ASP ARG LEU 0.513514 0.623188
20 SER ILE ILE GLN PHE GLU HIS LEU 0.503448 0.666667
21 ILE LEU ALA LYS PHE LEU HIS GLU LEU 0.503401 0.621212
22 ASP PHE GLU GLU ILE 0.495935 0.754717
23 GLU LEU ASP 1OL VAL GLU PHE 0.486111 0.714286
24 ASP ALA ASP GLU GLU ASP PHE 0.483871 0.722222
25 ASP GLU LEU GLU ILE LYS ALA TYR 0.482759 0.677419
26 ARG ABA GLN ILE PHE ALA ASN ILE 0.482517 0.719298
27 SER GLY ILE PHE LEU GLU THR SER 0.481481 0.77193
28 ILE ARG LYS ILE LEU PHE LEU ASP GLY ILE 0.480769 0.671875
29 SER SER LEU GLU ASN PHE ALA ALA TYR VAL 0.48 0.68254
30 PHE GLU ALA ASN GLY ASN LEU ILE 0.479167 0.711864
31 GLU ASN LEU TYR PHE GLN 0.477941 0.645161
32 LYS VAL ILE THR PHE ILE ASP LEU 0.475524 0.745763
33 GLU LEU ASP LYS TYR ALA SER 0.475177 0.721311
34 TYR ASP GLN ILE LEU 0.473282 0.689655
35 SER GLU ASP GLU PHE TYR ASP ALA LEU SER 0.472973 0.721311
36 SER ILE ILE GLY PHE GLU LYS LEU 0.472603 0.745763
37 MET PHE SER ILE ASP ASN ILE LEU ALA 0.469799 0.709677
38 PHE GLU ASP LEU ARG VAL LEU SER PHE 0.467105 0.703125
39 SER ALA ASN SER PHE THR LEU ILE GLY GLU 0.463576 0.745763
40 ASP ALA ASP GLU FTY LEU NH2 0.460432 0.824561
41 ACE VAL PHE PHE ALA GLU ASP NH2 0.458015 0.690909
42 PHE GLU ASP LEU ARG VAL SER SER PHE 0.457516 0.703125
43 GLU VAL ASN 1OL ALA GLU PHE 0.456376 0.689655
44 MET GLU ASP TPO GLN ALA ILE ASP 0.455172 0.813559
45 VAL TYR ARG SER LEU SEP PHE GLU 0.453901 0.892857
46 SER ILE TYR PHE TPO PRO GLU LEU TYR ASP 0.450867 0.716216
47 PHE GLU ASP LEU ARG LEU LEU SER PHE 0.44898 0.703125
48 HIS LEU TYR PHE SER SEP ASN 0.448052 0.714286
49 ASP ALA GLU PHE ARG HIS ASP 0.446809 0.666667
50 ASN GLN LEU ALA TRP PHE ASP THR ASP LEU 0.446541 0.630769
51 PRO GLU SEP LEU GLU SER CYS PHE 0.443662 0.894737
52 GLU LEU ASP HOX TRP ALA SER 0.441558 0.651515
53 ASP PHE GLU GLU ILE PRO GLY GLU TYS LEU 0.440476 0.609756
54 ASP PHE GLU ASP TYR GLU PHE ASP 0.440298 0.612903
55 GLY ALA PHE THR PHE ASN GLU ASP PHE 0.438849 0.633333
56 ARG GLN ALA SEP LEU SER ILE SER VAL 0.437909 0.806452
57 TYR ALA GLY SEP TPO ASP GLU ASN 0.436709 0.765625
58 LEU PRO SER PHE GLU THR ALA LEU 0.435897 0.652174
59 SER LEU ASN TYR ILE ILE LYS VAL LYS GLU 0.433121 0.703125
60 GLU LEU LYS TPO GLU ARG TYR 0.433121 0.761194
61 ARG ABA PHE ILE PHE ALA ASN ILE 0.432432 0.65625
62 TYR GLN GLU SER THR ASP PHE THR PHE LEU 0.431818 0.672414
63 SER LEU PHE ASN THR VAL ALA THR LEU 0.431507 0.706897
64 ARG VAL LEU PHE GLU ALA MET 0.431373 0.621212
65 SER PHE PHE GLU ASP ASN PHE VAL PRO GLU 0.427632 0.611111
66 LYS GLN GLU PRO GLN GLU ILE ASP PHE 0.426829 0.626866
67 ILE LEU ALA LYS PHE LEU HIS THR LEU 0.426752 0.608696
68 ACE ILE TYR GLU SER LEU 0.426471 0.7
69 GLU LEU ASP LYS TRP ALA ASN 0.425806 0.636364
70 FME TYR PHE ILE ASN ILE LEU THR LEU 0.425806 0.651515
71 PRO GLU GLY ASP PM3 GLU GLU VAL LEU 0.425676 0.875
72 GLU ALA GLN THR ARG LEU 0.425532 0.634921
73 LYS VAL LEU PHE LEU ASP GLY 0.425532 0.719298
74 SER SER LEU GLU ASN PHE ARG ALA TYR VAL 0.42515 0.652174
75 LEU GLU LEU ASP LYS TRP ALA SER LEU 0.425 0.666667
76 TYR PHE SER SEP ASN 0.42446 0.714286
77 ACE ASP ALA ASP GLU FTY LEU NH2 0.423611 0.824561
78 THR ASN GLU PHE ALA PHE 0.423077 0.631579
79 THR LEU ILE ASP LEU THR GLU LEU ILE 0.422222 0.696429
80 GLU LEU ASP ORN TRP ALA SER 0.422078 0.6875
81 GLU GLU PHE GLY ARG ALA PHE SER PHE 0.422078 0.630769
82 TYR ASP LEU SEP LEU PRO PHE PRO 0.421687 0.712329
83 TYR LEU ASP SEP GLY ILE HIS SER GLY ALA 0.421687 0.708333
84 ALA GLN ASP ILE TYR ARG ALA SER TYR 0.419753 0.661765
85 SER LEU TYR ASN THR ILE ALA THR LEU 0.418919 0.704918
86 LEU ALA ILE TYR SER 0.41791 0.677966
87 ACE PHE ASP GLU MET GLU GLU CYS 0.41791 0.677966
88 SER LEU LYS ILE ASP ASN GLU ASP 0.417808 0.7
89 THR GLU ASN LEU TYR PHE GLN SER GLY THR 0.417722 0.676923
90 PHE LEU GLU LYS 0.416667 0.714286
91 SER GLN LEU LYS ASN ASN ALA LYS GLU ILE 0.413793 0.688525
92 SER GLU LEU GLU ILE LYS ARG TYR 0.410256 0.661765
93 GLU LEU ASP LYS TRP ALA SER 0.410256 0.676923
94 LYS GLN TRP LEU VAL TRP LEU PHE LEU 0.409938 0.606061
95 ILE ASN PHE ASP PHE ASN THR ILE 0.408759 0.666667
96 ALA ALA TRP LEU PHE GLU ALA 0.407895 0.612903
97 LEU GLU PHE GLN GLY 0.407407 0.714286
98 THR ASN GLU PHE TYR ALA 0.407143 0.629032
99 ALA ARG THR GLU LEU TYR ARG SER LEU 0.406452 0.671642
100 SER LEU PHE ASN THR ILE ALA VAL LEU 0.406452 0.724138
101 ARG ABA VAL ILE PHE ALA ASN ILE 0.405229 0.693548
102 ASP PHE GLU GLU ILE PRO GLY GLU PTR 0.404624 0.684932
103 BE2 GLU PTR ILE ASN GLN NH2 0.402597 0.753846
104 SER VAL TYR ASP PHE PHE VAL TRP LEU 0.402516 0.617647
105 SER ALA LYS ILE ASP ASN LEU ASP 0.401361 0.7
106 GLU ALA ASP LYS TRP GLN SER 0.401274 0.621212
107 GLN TYR PHE MET TPO GLU PTR VAL ALA 0.401163 0.735294
108 ASP PHE GLU GLU ILE PRO GLU GLU TYS 0.4 0.604938
109 CYS THR GLU LEU LYS LEU ASN ASP TYR 0.4 0.671875
110 GLU GLN TYR LYS PHE TYR SER VAL 0.4 0.646154
Similar Ligands (3D)
Ligand no: 1; Ligand: GLU ASP GLU ASP PHE GLU ILE LEU SEP 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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