Receptor
PDB id Resolution Class Description Source Keywords
5LXH 1.58 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 SER LEU F:384;
E:384;
G:384;
 Valid;
Valid;
Valid;
 Atoms found LESS than expected: % Diff = 0.047;
Atoms found LESS than expected: % Diff = 0.129;
none;
 submit data
1147.16 n/a O=C(N...
SO4 B:202;
A:201;
B:201;
C:202;
B:203;
C:201;
C:203;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
none;
none;
 submit data
96.063 O4 S [O-]S...
GOL C:204;
B:205;
B:204;
 Invalid;
Invalid;
Invalid;
 none;
none;
none;
 submit data
92.094 C3 H8 O3 C(C(C...
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 SER LEU; Similar ligands found: 167
No: Ligand ECFP6 Tc MDL keys Tc
1 GLU ASP GLU ASP PHE GLU ILE LEU SER LEU 1 1
2 MET PHE SER ILE ASP ASN ILE LEU ALA 0.699187 0.888889
3 GLU ASP GLU ASP PHE GLU ILE LEU SEP LEU 0.639098 0.789474
4 GLU ARG GLU SEP GLU PHE ASP ILE GLU ASP 0.613139 0.703125
5 GLU ILE ILE ASN PHE GLU LYS LEU 0.585938 0.830189
6 GLN PHE LYS ASP ASN VAL ILE LEU LEU 0.57037 0.884615
7 ASP PHE GLN GLU SER ALA ASP SER PHE LEU 0.5625 0.941176
8 SER ILE ILE ASN PHE GLU LYS LEU 0.557252 0.923077
9 SER GLY ILE PHE LEU GLU THR SER 0.544715 0.94
10 PHE GLU ASP LEU ARG VAL LEU SER PHE 0.543478 0.810345
11 GLU GLU ASN LEU LEU ASP PHE VAL ARG PHE 0.539568 0.762712
12 ARG ARG ILE TYR ASP LEU ILE GLU LEU 0.532374 0.766667
13 PHE GLU ASP LEU ARG VAL SER SER PHE 0.532374 0.810345
14 GLY ILE LEU GLU PHE VAL PHE THR LEU 0.530769 0.849057
15 LEU ASP GLU GLU THR GLY GLU PHE LEU 0.530769 0.884615
16 GLU ASN LEU TYR PHE GLN 0.528 0.781818
17 VAL ASN ASP ILE PHE GLU ALA ILE 0.526718 0.86
18 PHE GLU ASP LEU ARG LEU LEU SER PHE 0.526316 0.810345
19 GLU LEU ASP 1OL VAL GLU PHE 0.522388 0.803922
20 SER GLU ASP GLU PHE TYR ASP ALA LEU SER 0.518248 0.87037
21 SER SER ILE GLU PHE ALA ARG LEU 0.517986 0.857143
22 GLU GLU TYR LEU GLN ALA PHE THR TYR 0.514493 0.814815
23 SER SER LEU GLU ASN PHE ALA ALA TYR VAL 0.514286 0.854545
24 ASP PHE GLU GLU ILE 0.513043 0.816327
25 SER GLU ILE GLU PHE ALA ARG LEU 0.507246 0.839286
26 SER ILE ILE GLN PHE GLU HIS LEU 0.507246 0.827586
27 SER ALA ASN SER PHE THR LEU ILE GLY GLU 0.507143 0.903846
28 SER LEU LYS ILE ASP ASN GLU ASP 0.503817 0.884615
29 GLU GLN TYR LYS PHE TYR SER VAL 0.503759 0.807018
30 ILE ARG LYS ILE LEU PHE LEU ASP GLY ILE 0.503401 0.716667
31 THR GLU ASN LEU TYR PHE GLN SER GLY THR 0.496504 0.842105
32 TYR GLU LEU ASP GLU LYS PHE ASP ARG LEU 0.496504 0.714286
33 SER ILE ILE GLY PHE GLU LYS LEU 0.49635 0.903846
34 ASP ALA GLU PHE ARG HIS ASP 0.492308 0.714286
35 SER PHE PHE GLU ASP ASN PHE VAL PRO GLU 0.489209 0.723077
36 GLU LEU ASP LYS TYR ALA SER 0.488722 0.87037
37 ALA TRP LEU PHE GLU ALA 0.488722 0.684211
38 ASP PHE GLU ASP TYR GLU PHE ASP 0.487805 0.714286
39 TYR ASP GLN ILE LEU 0.487805 0.807692
40 GLU GLU ILE ASP VAL VAL SER VAL 0.487603 0.918367
41 ACE ILE TYR GLU SER LEU 0.483871 0.884615
42 TRP ASN TRP PHE ASP ILE THR ASN LYS 0.482993 0.716667
43 SER LEU ASN TYR ILE ILE LYS VAL LYS GLU 0.482759 0.875
44 LYS VAL LEU PHE LEU ASP GLY 0.48062 0.807692
45 SER SER LEU GLU ASN PHE ARG ALA TYR VAL 0.480519 0.774194
46 ASP SEP TYR GLU VAL LEU ASP LEU 0.479167 0.75
47 SER ILE TYR PHE TPO PRO GLU LEU TYR ASP 0.478528 0.662162
48 LYS VAL ILE THR PHE ILE ASP LEU 0.477941 0.903846
49 ALA GLN ASP ILE TYR ARG ALA SER TYR 0.47651 0.786885
50 ALA ALA SER LEU TYR GLU LYS LYS ALA ALA 0.474074 0.854545
51 ASP PHE GLU LYS GLU GLY TYR SER LEU 0.472603 0.827586
52 ALA ALA TRP LEU PHE GLU ALA 0.467626 0.684211
53 ACE GLU ASN LEU TYR PHE GLN SER GLY THR 0.466667 0.767857
54 ASP PHE SER ILE 0.465517 0.897959
55 SER LEU PHE ASN THR ILE ALA VAL LEU 0.464789 0.882353
56 CYS THR GLU LEU LYS LEU SER ASP TYR 0.464789 0.872727
57 GLU LEU ASN ARG LYS MET ILE TYR MET 0.464516 0.69697
58 ARG ABA GLN ILE PHE ALA ASN ILE 0.463768 0.843137
59 LEU GLU PHE GLN GLY 0.463415 0.803922
60 SER LEU ARG PHE LEU TYR GLU GLY 0.460993 0.758065
61 GLN LEU SER PRO PHE PRO PHE ASP LEU 0.459459 0.723077
62 ASP ALA ASP GLU TYR LEU 0.456693 0.807692
63 GLU THR PHE TYR VAL ASP GLY 0.455224 0.803571
64 FME TYR PHE ILE ASN ILE LEU THR LEU 0.455172 0.779661
65 LYS GLN GLU PRO GLN GLU ILE ASP PHE 0.454545 0.666667
66 ASP GLU LEU GLU ILE LYS ALA TYR 0.453901 0.818182
67 GLU LEU LYS ARG LYS MET ILE TYR MET 0.453333 0.676923
68 GLY ASN PHE LEU GLN SER ARG 0.453237 0.810345
69 ASP LEU TYR CYS TYR GLU GLN LEU ASN 0.452555 0.821429
70 GLU GLU PHE GLY ARG ALA PHE SER PHE 0.451389 0.728814
71 ALA GLU THR PHE TYR VAL ASP GLY 0.451128 0.796296
72 LEU PRO PHE ASP LYS SER THR ILE MET 0.450617 0.705882
73 SER ASP LYS ILE ASP ASN LEU ASP 0.450382 0.884615
74 GLY ALA PHE THR PHE ASN GLU ASP PHE 0.450382 0.773585
75 LYS VAL LEU SER LYS ILE PHE MYR 0.450331 0.854545
76 ASP PHE GLU GLU ILE PRO GLY GLU TYR LEU 0.45 0.661765
77 VAL SER PHE ASN FRD PRO GLN ILE THR ALA 0.448718 0.701493
78 GLU THR VAL ARG PHE GLN SER ASP 0.448276 0.789474
79 HIS ILE PHE SER 0.448 0.603448
80 SER LEU LYS ILE ASP ASN LEU ASP 0.44697 0.884615
81 ALA ARG THR GLU LEU TYR ARG SER LEU 0.444444 0.8
82 THR LEU ILE ASP LEU THR GLU LEU ILE 0.444444 0.82
83 LYS LEU PHE SER PHE GLY GLY 0.444444 0.814815
84 LYS MET ASP SEP PHE LEU ASP MET GLN LEU 0.443709 0.71875
85 GLU LEU ASP HOX TRP ALA SER 0.442177 0.779661
86 ARG PRO GLY ASN PHE PHE GLN ASN ARG PRO 0.440945 0.709091
87 PHE VAL PHE LEU GLU ILE NH2 0.440298 0.764706
88 PHE GLU ALA ASN GLY ASN LEU ILE 0.439716 0.865385
89 THR ASN GLU PHE TYR ALA 0.438462 0.763636
90 SER GLU LEU GLU ILE LYS ARG TYR 0.438356 0.786885
91 ASP ALA ASP GLU GLU ASP PHE 0.438017 0.816327
92 VAL GLN GLN GLU SER SER PHE VAL MET 0.437037 0.886792
93 ACE VAL PHE PHE ALA GLU ASP NH2 0.436508 0.745098
94 LEU PRO SER PHE GLU THR ALA LEU 0.436242 0.746032
95 GLY ALA GLU VAL PHE TYR VAL ASP GLY ALA 0.435714 0.736842
96 LEU ARG ASN GLN SER VAL PHE ASN PHE 0.434483 0.813559
97 ALA ILE PHE GLN SER SER MET THR LYS 0.434483 0.824561
98 LYS ILE LEU HIS ARG LEU LEU GLN ASP SER 0.433962 0.71875
99 GLY ALA ASP ILE PHE TYR LEU ASP GLY ALA 0.433824 0.714286
100 PRO GLU SEP LEU GLU SER CYS PHE 0.433824 0.793103
101 ILE MET ILE SER PHE 0.433071 0.811321
102 ARG PRO GLY ASN PHE LEU GLN SER SER PRO 0.432432 0.807018
103 PHE LEU SER TYR LYS 0.431818 0.821429
104 SER GLN TYR TYR TYR ASN SER LEU 0.430769 0.854545
105 THR SER ASN LEU GLN GLU GLN ILE GLY TRP 0.43038 0.816667
106 ILE ASN PHE ASP PHE ASN THR ILE 0.429688 0.811321
107 GLU LEU ARG SER ARG TYR TRP ALA ILE 0.429448 0.720588
108 SER LEU PHE ASN THR VAL ALA THR LEU TYR 0.428571 0.8
109 ACE PHE ASP GLU MET GLU GLU CYS 0.428571 0.759259
110 LEU LEU TYR GLY PHE VAL ASN TYR ILE 0.427586 0.77193
111 GLU VAL ASN 1OL ALA GLU PHE 0.427586 0.807692
112 ARG ARG LEU ILE PHE NH2 0.427481 0.714286
113 PHE LEU GLU LYS 0.427419 0.803922
114 GLN TYR PHE MET TPO GLU PTR VAL ALA 0.425926 0.652174
115 SER HIS LYS ILE ASP ASN LEU ASP 0.425676 0.813559
116 GLU GLU TYR LEU LYS ALA TRP THR PHE 0.424242 0.730159
117 GLY ASP GLU VAL LYS VAL PHE ARG 0.421769 0.694915
118 GLU LEU ASP ORN TRP ALA SER 0.421769 0.824561
119 SER LEU PHE ASN THR VAL ALA THR LEU 0.421429 0.862745
120 ASP LEU LYS ILE ASP ASN LEU ASP 0.421053 0.826923
121 GLY ASN CYS PHE SER LYS ARG ARG ALA ALA 0.42069 0.745763
122 TYR GLN GLU SER THR ASP PHE THR PHE LEU 0.420635 0.788462
123 ILE THR ASP GLN VAL PRO PHE SER VAL 0.420382 0.761905
124 SER ALA LYS ILE ASP ASN LEU ASP 0.42029 0.884615
125 SER VAL TYR ASP PHE PHE VAL TRP LEU 0.42 0.766667
126 ILE GLU GLU ALA LEU GLN ILE ILE HIS SER 0.418919 0.789474
127 ILE MET ASP GLN VAL PRO PHE SER VAL 0.41875 0.727273
128 SER LEU LYS ILE ASP ASN MET ASP 0.41844 0.821429
129 GLY ALA GLU THR PHE TYR VAL ASP GLY ALA 0.417808 0.789474
130 CYS THR GLU LEU LYS LEU ASN ASP TYR 0.417808 0.839286
131 THR SER THR LEU GLN GLU GLN ILE GLY TRP 0.417722 0.830508
132 LEU TYR LEU VAL CYS GLY GLU ARG GLY PHE 0.417722 0.698413
133 LEU ALA ILE TYR SER 0.417323 0.826923
134 THR PHE ALY SER ILE MET LYS 0.417219 0.775862
135 ALA LEU LYS ILE ASP ASN LEU ASP 0.416667 0.826923
136 LEU PRO PHE ASP LYS THR THR ILE MET 0.416149 0.691176
137 ILE LEU ALA LYS PHE LEU HIS GLU LEU 0.416107 0.716667
138 PRO GLU GLY ASP PM3 GLU GLU VAL LEU 0.415493 0.741379
139 ARG ILE PHE SER 0.415385 0.75
140 GLY ASN TYR SER PHE TYR ALA LEU 0.414815 0.789474
141 ACE ASP LEU GLN THR SER ILE 0.414062 0.862745
142 SER PRO ILE VAL PRO SER PHE ASP MET 0.414013 0.731343
143 ASP PHE M3L THR ASP 0.413534 0.754098
144 VAL TYR ARG SER LEU SEP PHE GLU 0.413043 0.789474
145 GLU LEU ASP LYS TRP ALA SER 0.409396 0.810345
146 SER HIS PHE ASN GLU TYR GLU 0.409396 0.709677
147 PHE LEU PRO SER ASP PHE PHE PRO SER VAL 0.409396 0.738462
148 ALA ASP LYS ILE ASP ASN LEU ASP 0.409091 0.826923
149 PRO ALA TRP LEU PHE GLU ALA 0.409091 0.688525
150 THR LYS ASN TYR LYS GLN PHE SER VAL 0.408451 0.824561
151 ACE 1PA GLU GLU ILE 0.408333 0.76
152 ASP ASP LEU ASP VAL PRO SER PHE LEU GLN 0.407895 0.774194
153 SER ARG LYS ILE ASP ASN LEU ASP 0.406897 0.779661
154 TYR LEU ASP SER GLY ILE HIS SER GLY ALA 0.406504 0.826923
155 LEU GLU LEU ASP LYS TRP ALA SER LEU 0.406452 0.827586
156 SER GLU GLN VAL GLU LEU GLU PHE ASP 323 0.405714 0.657534
157 GLY ILE LEU GLY PHE VAL PHE THR LEU 0.405594 0.796296
158 PHE GLU ALA ILE PRO ALA GLU TYR LEU 0.405063 0.641791
159 VAL GLU GLU ASP HIS VAL ALA HIS ALA 0.404255 0.672414
160 ALA PRO ALA TRP LEU PHE GLU ALA 0.403727 0.602941
161 ARG PRO GLY ASN PHE LEU GLN SER ARG LEU 0.403509 0.657143
162 SER GLN LEU LYS ASN ASN ALA LYS GLU ILE 0.402878 0.867925
163 ARG ARG LEU PRO ILE PHE SER ARG LEU 0.402516 0.681159
164 ALA THR LYS ILE ASP ASN LEU ASP 0.40146 0.849057
165 LEU LEU TYR GLY PHE VAL ASN TYR VAL 0.4 0.754386
166 HIS SER LYS LYS LYS CYS ASP GLU LEU 0.4 0.783333
167 LYS GLN TRP LEU VAL TRP LEU PHE LEU 0.4 0.7
Similar Ligands (3D)
Ligand no: 1; Ligand: GLU ASP GLU ASP PHE GLU ILE LEU SER 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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