-->
Receptor
PDB id Resolution Class Description Source Keywords
5LXH 1.58 Å NON-ENZYME: SIGNAL_HORMONE 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;
Atoms found LESS than expected: % Diff = 0;
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
5LXI 1.44 Å NON-ENZYME: SIGNAL_HORMONE 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
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 286 families.
1 5LXI - GLU ASP GLU ASP PHE GLU ILE LEU SEP LEU n/a n/a
2 5LXH - GLU ASP GLU ASP PHE GLU ILE LEU SER LEU n/a n/a
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1205 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 5L83 - ASP TRP GLU ILE VAL n/a n/a
4 5LXI - GLU ASP GLU ASP PHE GLU ILE LEU SEP LEU n/a n/a
5 5LXH - GLU ASP GLU ASP PHE GLU ILE LEU SER LEU n/a n/a
50% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 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 5GMV Kd = 1.78 uM ASP SEP TYR GLU VAL LEU ASP LEU n/a n/a
5 5L83 - ASP TRP GLU ILE VAL n/a n/a
6 5LXI - GLU ASP GLU ASP PHE GLU ILE LEU SEP LEU n/a n/a
7 5LXH - GLU ASP GLU ASP PHE GLU ILE LEU SER LEU n/a n/a
8 4EOY - ASN ASP TRP LEU LEU PRO SER TYR n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GLU ASP GLU ASP PHE GLU ILE LEU SER LEU; Similar ligands found: 159
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 SER GLU ASP GLU PHE TYR ASP ALA LEU SER 0.629921 0.87037
5 GLU ARG GLU SEP GLU PHE ASP ILE GLU ASP 0.613139 0.703125
6 GLU ILE ILE ASN PHE GLU LYS LEU 0.585938 0.830189
7 GLN PHE LYS ASP ASN VAL ILE LEU LEU 0.57037 0.884615
8 SER ILE ILE ASN PHE GLU LYS LEU 0.557252 0.923077
9 GLU GLU ASN LEU LEU ASP PHE VAL ARG PHE 0.539568 0.762712
10 SER ASP ILE LEU PHE PRO ALA ASP SER 0.532847 0.774194
11 ARG ARG ILE TYR ASP LEU ILE GLU LEU 0.532374 0.766667
12 LEU ASP GLU GLU THR GLY GLU PHE LEU 0.530769 0.884615
13 GLY ILE LEU GLU PHE VAL PHE THR LEU 0.530769 0.849057
14 GLU ASN LEU TYR PHE GLN 0.528 0.781818
15 VAL ASN ASP ILE PHE GLU ALA ILE 0.526718 0.86
16 GLU LEU ASP 1OL VAL GLU PHE 0.522388 0.803922
17 SER SER ILE GLU PHE ALA ARG LEU 0.517986 0.857143
18 GLU GLU TYR LEU GLN ALA PHE THR TYR 0.514493 0.814815
19 SER SER LEU GLU ASN PHE ALA ALA TYR VAL 0.514286 0.854545
20 ASP PHE GLU GLU ILE 0.513043 0.816327
21 SER GLU ILE GLU PHE ALA ARG LEU 0.507246 0.839286
22 LYS GLN TRP ASP ASN TYR GLU PHE ILE TRP 0.506667 0.693548
23 SER LEU LYS ILE ASP ASN GLU ASP 0.503817 0.884615
24 GLU GLN TYR LYS PHE TYR SER VAL 0.503759 0.807018
25 ILE ARG LYS ILE LEU PHE LEU ASP GLY ILE 0.503401 0.716667
26 TYR GLU LEU ASP GLU LYS PHE ASP ARG LEU 0.496504 0.714286
27 THR GLU ASN LEU TYR PHE GLN SER GLY THR 0.496504 0.842105
28 SER ILE ILE GLY PHE GLU LYS LEU 0.49635 0.903846
29 ASP ALA GLU PHE ARG HIS ASP 0.492308 0.714286
30 SER PHE PHE GLU ASP ASN PHE VAL PRO GLU 0.489209 0.723077
31 GLU LEU ASP LYS TYR ALA SER 0.488722 0.87037
32 TYR ASP GLN ILE LEU 0.487805 0.807692
33 ASP PHE GLU ASP TYR GLU PHE ASP 0.487805 0.714286
34 GLU GLU ILE ASP VAL VAL SER VAL 0.487603 0.918367
35 ACE ILE TYR GLU SER LEU 0.483871 0.884615
36 TRP ASN TRP PHE ASP ILE THR ASN LYS 0.482993 0.716667
37 LYS VAL LEU PHE LEU ASP GLY 0.48062 0.807692
38 SER SER LEU GLU ASN PHE ARG ALA TYR VAL 0.480519 0.774194
39 ASP SEP TYR GLU VAL LEU ASP LEU 0.479167 0.75
40 SER ILE TYR PHE TPO PRO GLU LEU TYR ASP 0.478528 0.662162
41 LYS VAL ILE THR PHE ILE ASP LEU 0.477941 0.903846
42 ALA GLN ASP ILE TYR ARG ALA SER TYR 0.47651 0.786885
43 PRO GLU GLY ASP PM3 GLU GLU VAL LEU 0.474453 0.741379
44 ALA ALA SER LEU TYR GLU LYS LYS ALA ALA 0.474074 0.854545
45 ACE GLU ASN LEU TYR PHE GLN SER GLY THR 0.466667 0.767857
46 SER LEU PHE ASN THR ILE ALA VAL LEU 0.464789 0.882353
47 CYS THR GLU LEU LYS LEU SER ASP TYR 0.464789 0.872727
48 GLU LEU ASN ARG LYS MET ILE TYR MET 0.464516 0.69697
49 ARG PRO GLY ASN PHE PHE GLN ASN ARG PRO 0.464 0.727273
50 ARG ABA GLN ILE PHE ALA ASN ILE 0.463768 0.843137
51 LEU GLU PHE GLN GLY 0.463415 0.803922
52 GLU THR LEU LEU ASP LEU ASP PHE ASP PRO 0.463235 0.730159
53 PRO GLU SEP LEU GLU SER CYS PHE 0.462687 0.793103
54 SER LEU ARG PHE LEU TYR GLU GLY 0.460993 0.758065
55 GLN LEU SER PRO PHE PRO PHE ASP LEU 0.459459 0.723077
56 ASP ALA ASP GLU TYR LEU 0.456693 0.807692
57 GLU THR PHE TYR VAL ASP GLY 0.455224 0.803571
58 FME TYR PHE ILE ASN ILE LEU THR LEU 0.455172 0.779661
59 LYS GLN GLU PRO GLN GLU ILE ASP PHE 0.454545 0.666667
60 ASP GLU LEU GLU ILE LYS ALA TYR 0.453901 0.818182
61 GLU LEU LYS ARG LYS MET ILE TYR MET 0.453333 0.676923
62 GLY ASN PHE LEU GLN SER ARG 0.453237 0.810345
63 ASP LEU TYR CYS TYR GLU GLN LEU ASN 0.452555 0.821429
64 GLU GLU PHE GLY ARG ALA PHE SER PHE 0.451389 0.728814
65 LEU PRO PHE ASP LYS SER THR ILE MET 0.450617 0.705882
66 SER ASP LYS ILE ASP ASN LEU ASP 0.450382 0.884615
67 ASP PHE GLU GLU ILE PRO GLY GLU TYR LEU 0.45 0.661765
68 VAL SER PHE ASN FRD PRO GLN ILE THR ALA 0.448718 0.701493
69 GLY ALA ASP ILE PHE TYR LEU ASP GLY ALA 0.448529 0.732143
70 GLU THR VAL ARG PHE GLN SER ASP 0.448276 0.789474
71 HIS ILE PHE SER 0.448 0.603448
72 SER LEU LYS ILE ASP ASN LEU ASP 0.44697 0.884615
73 GLY ALA GLU VAL PHE TYR VAL ASP GLY ALA 0.446043 0.736842
74 ASN GLN LEU ALA TRP PHE ASP THR ASP LEU 0.445161 0.758621
75 ALA ARG THR GLU LEU TYR ARG SER LEU 0.444444 0.8
76 LYS MET ASP SEP PHE LEU ASP MET GLN LEU 0.443709 0.71875
77 SER TRP PHE GLN THR ASP LEU 0.442953 0.810345
78 GLU LEU ASP HOX TRP ALA SER 0.442177 0.779661
79 LYS GLN TRP ASP ASN TYR GLU PTR ILE TRP 0.440476 0.628571
80 PHE VAL PHE LEU GLU ILE NH2 0.440298 0.764706
81 PHE GLU ALA ASN GLY ASN LEU ILE 0.439716 0.865385
82 THR ASN GLU PHE TYR ALA 0.438462 0.763636
83 SER GLU LEU GLU ILE LYS ARG TYR 0.438356 0.786885
84 VAL GLN GLN GLU SER SER PHE VAL MET 0.437037 0.886792
85 ACE VAL PHE PHE ALA GLU ASP NH2 0.436508 0.745098
86 LEU PRO SER PHE GLU THR ALA LEU 0.436242 0.746032
87 TYR GLN GLU SER THR ASP PHE THR PHE LEU 0.435484 0.788462
88 ALA ILE PHE GLN SER SER MET THR LYS 0.434483 0.824561
89 LYS ILE LEU HIS ARG LEU LEU GLN ASP SER 0.433962 0.71875
90 GLU THR LEU LEU ASP LEU ASP PHE LEU GLU 0.433333 0.82
91 ARG PRO GLY ASN PHE LEU GLN SER SER PRO 0.432432 0.807018
92 PHE LEU SER TYR LYS 0.431818 0.821429
93 SER GLN TYR TYR TYR ASN SER LEU 0.430769 0.854545
94 GLY ALA GLU THR PHE TYR VAL ASP GLY ALA 0.430556 0.789474
95 THR SER ASN LEU GLN GLU GLN ILE GLY TRP 0.43038 0.816667
96 ILE ASN PHE ASP PHE ASN THR ILE 0.429688 0.811321
97 GLU LEU ARG SER ARG TYR TRP ALA ILE 0.429448 0.720588
98 ACE PHE ASP GLU MET GLU GLU CYS 0.428571 0.759259
99 SER LEU PHE ASN THR VAL ALA THR LEU TYR 0.428571 0.8
100 GLU VAL ASN 1OL ALA GLU PHE 0.427586 0.807692
101 LEU LEU TYR GLY PHE VAL ASN TYR ILE 0.427586 0.77193
102 ARG ARG LEU ILE PHE NH2 0.427481 0.714286
103 GLN TYR PHE MET TPO GLU PTR VAL ALA 0.425926 0.652174
104 SER HIS LYS ILE ASP ASN LEU ASP 0.425676 0.813559
105 GLU GLU TYR LEU LYS ALA TRP THR PHE 0.424242 0.730159
106 GLY ASP GLU VAL LYS VAL PHE ARG 0.421769 0.694915
107 GLU LEU ASP ORN TRP ALA SER 0.421769 0.824561
108 SER LEU PHE ASN THR VAL ALA THR LEU 0.421429 0.862745
109 ASP LEU LYS ILE ASP ASN LEU ASP 0.421053 0.826923
110 ILE THR ASP GLN VAL PRO PHE SER VAL 0.420382 0.761905
111 SER ALA LYS ILE ASP ASN LEU ASP 0.42029 0.884615
112 SER VAL TYR ASP PHE PHE VAL TRP LEU 0.42 0.766667
113 ASP ASN ARG LEU GLY LEU VAL TYR GLN PHE 0.419847 0.740741
114 ILE GLU GLU ALA LEU GLN ILE ILE HIS SER 0.418919 0.789474
115 ILE MET ASP GLN VAL PRO PHE SER VAL 0.41875 0.727273
116 THR LYS ASN TYR LYS GLN PHE SER VAL 0.41844 0.824561
117 SER LEU LYS ILE ASP ASN MET ASP 0.41844 0.821429
118 HIS LYS ILE LEU HIS ARG LEU LEU GLN ASP 0.418301 0.615385
119 CYS THR GLU LEU LYS LEU ASN ASP TYR 0.417808 0.839286
120 LEU TYR LEU VAL CYS GLY GLU ARG GLY PHE 0.417722 0.698413
121 THR SER THR LEU GLN GLU GLN ILE GLY TRP 0.417722 0.830508
122 LEU ALA ILE TYR SER 0.417323 0.826923
123 THR PHE ALY SER ILE MET LYS 0.417219 0.775862
124 ALA LEU LYS ILE ASP ASN LEU ASP 0.416667 0.826923
125 LEU PRO PHE ASP LYS THR THR ILE MET 0.416149 0.691176
126 ILE LEU ALA LYS PHE LEU HIS GLU LEU 0.416107 0.716667
127 THR ASN GLU PHE ALA PHE 0.416 0.711538
128 THR ASN GLU PHE TYR PHE 0.416 0.690909
129 GLY ALA GLN THR PHE TYR VAL ASP GLY ALA 0.415493 0.803571
130 ARG ILE PHE SER 0.415385 0.75
131 GLY ASN TYR SER PHE TYR ALA LEU 0.414815 0.789474
132 ACE ASP LEU GLN THR SER ILE 0.414062 0.862745
133 SER PRO ILE VAL PRO SER PHE ASP MET 0.414013 0.731343
134 ASP PHE M3L THR ASP 0.413534 0.754098
135 LYS ILE LEU HIS ARG LEU LEU GLN ASP 0.410959 0.677966
136 ACE GLN LEU ASP ALA PHE 0.409449 0.78
137 GLU LEU ASP LYS TRP ALA SER 0.409396 0.810345
138 SER HIS PHE ASN GLU TYR GLU 0.409396 0.709677
139 PHE LEU PRO SER ASP PHE PHE PRO SER VAL 0.409396 0.738462
140 ALA ASP LYS ILE ASP ASN LEU ASP 0.409091 0.826923
141 ACE 1PA GLU GLU ILE 0.408333 0.76
142 SER ARG LYS ILE ASP ASN LEU ASP 0.406897 0.779661
143 LEU GLU LEU ASP LYS TRP ALA SER LEU 0.406452 0.827586
144 ASP ASP MET GLY PHE GLY LEU PHE ASP 0.40625 0.754717
145 ASP ASP ASP MET GLY PHE GLY LEU PHE ASP 0.40625 0.754717
146 ARG GLU ASP GLN GLU THR ALA VAL 0.40625 0.8
147 SER GLU GLN VAL GLU LEU GLU PHE ASP 323 0.405714 0.657534
148 GLY ILE LEU GLY PHE VAL PHE THR LEU 0.405594 0.796296
149 TYR SER THR CYS TYR PHE ILE MET 0.405594 0.775862
150 PHE GLU ALA ILE PRO ALA GLU TYR LEU 0.405063 0.641791
151 VAL GLU GLU ASP HIS VAL ALA HIS ALA 0.404255 0.672414
152 THR LYS ASN TYR LYS GLN THR SER VAL 0.40411 0.839286
153 ARG PRO GLY ASN PHE LEU GLN SER ARG LEU 0.403509 0.657143
154 SER GLN LEU LYS ASN ASN ALA LYS GLU ILE 0.402878 0.867925
155 ARG ARG LEU PRO ILE PHE SER ARG LEU 0.402516 0.681159
156 ALA THR LYS ILE ASP ASN LEU ASP 0.40146 0.849057
157 THR TYR PHE ALA VAL LEU MET VAL SER 0.4 0.758621
158 LEU LEU TYR GLY PHE VAL ASN TYR VAL 0.4 0.754386
159 HIS SER LYS LYS LYS CYS ASP GLU LEU 0.4 0.783333
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5LXI; Ligand: GLU ASP GLU ASP PHE GLU ILE LEU SEP LEU; Similar sites found with APoc: 15
This union binding pocket(no: 1) in the query (biounit: 5lxi.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
1 1SS4 GSH None
2 2HO2 PRO PRO PRO PRO PRO PRO PRO PRO PRO LEU None
3 3GD8 GOL None
4 1R1Q ACE ARG GLU PTR VAL ASN VAL None
5 3E3U NVC 2.43902
6 1Y7P RIP 4.06504
7 1N13 AG2 4.42478
8 2QQC AG2 4.46429
9 3RS8 ALA TRP LEU PHE GLU ALA 4.58167
10 2BVE PH5 5.04202
11 5YW5 ADE 7.31707
12 1ZDQ MSM 8.13008
13 4DS0 A2G GAL NAG FUC 10.5691
14 1LCK GLU GLY GLN PTR GLN PRO GLN PRO ALA 10.5691
15 5LFV SIA GAL NAG 22.7642
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