Receptor
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
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SER ALA ASN SER PHE THR LEU ILE GLY GLU F:96;
G:94;
 Valid;
Valid;
 Atoms found LESS than expected: % Diff = 0.315;
Atoms found LESS than expected: % Diff = 0.123;
 submit data
906.004 n/a O=C([...
ACT F:201;
B:201;
A:202;
 Invalid;
Invalid;
Invalid;
 none;
none;
none;
 submit data
59.044 C2 H3 O2 CC(=O...
EDO A:201;
 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: SER ALA ASN SER PHE THR LEU ILE GLY GLU; Similar ligands found: 116
No: Ligand ECFP6 Tc MDL keys Tc
1 SER ALA ASN SER PHE THR LEU ILE GLY GLU 1 1
2 GLY ILE LEU GLU PHE VAL PHE THR LEU 0.578125 0.903846
3 GLY ILE LEU GLY LEU VAL PHE THR LEU 0.546154 0.94
4 SER GLY ILE PHE LEU GLU THR SER 0.544 0.96
5 GLU GLU TYR LEU GLN ALA PHE THR TYR 0.536232 0.767857
6 THR SER THR LEU GLN GLU GLN ILE GLY TRP 0.533784 0.847458
7 SER ILE ILE GLY PHE GLU LYS LEU 0.529412 0.923077
8 SER SER ILE GLU PHE ALA ARG LEU 0.51773 0.842105
9 LEU ASP GLU GLU THR GLY GLU PHE LEU 0.507463 0.941176
10 GLU ASP GLU ASP PHE GLU ILE LEU SER LEU 0.507143 0.903846
11 PHE LEU THR GLY ILE GLY ILE ILE THR VAL 0.5 0.94
12 SER GLU ILE GLU PHE ALA ARG LEU 0.496454 0.824561
13 GLU LEU ALA ALA ILE GLY ILE LEU THR VAL 0.496183 0.88
14 SER SER LEU GLU ASN PHE ALA ALA TYR VAL 0.493056 0.839286
15 SER LEU PHE ASN THR VAL ALA THR LEU 0.485294 0.882353
16 GLY ALA GLU THR PHE TYR VAL ASP GLY ALA 0.478873 0.839286
17 GLY ALA ASP ILE PHE TYR LEU ASP GLY ALA 0.477612 0.732143
18 LEU PRO SER PHE GLU THR ALA LEU 0.47619 0.790323
19 FME TYR PHE ILE ASN ILE LEU THR LEU 0.475862 0.766667
20 GLU ALA ALA GLY ILE GLY ILE LEU THR VAL 0.473684 0.862745
21 PHE GLU ALA ASN GLY ASN LEU ILE 0.471429 0.884615
22 ASP PHE GLN GLU SER ALA ASP SER PHE LEU 0.471014 0.851852
23 GLU LEU ALA GLY ILE GLY ILE LEU THR VAL 0.469697 0.862745
24 THR SER ASN LEU GLN GLU GLN ILE GLY TRP 0.467949 0.833333
25 GLY ILE LEU GLY PHE VAL PHE THR LEU 0.467626 0.884615
26 THR GLU ASN LEU TYR PHE GLN SER GLY THR 0.466216 0.859649
27 GLU ASP GLU ASP PHE GLU ILE LEU SEP LEU 0.463576 0.745763
28 GLY ARG PRO ARG THR THR SER PHE ALA GLU 0.4625 0.681159
29 GLU GLU PHE GLY ARG ALA PHE SER PHE 0.462069 0.745763
30 ILE LEU ALA LYS PHE LEU HIS THR LEU 0.456376 0.741935
31 PHE TYR ALA PRO GLU PRO ILE THR SER LEU 0.45625 0.724638
32 ALA ARG THR GLU LEU TYR ARG SER LEU 0.455172 0.786885
33 PHE LEU ARG GLY ARG ALA TYR VAL LEU 0.453947 0.725806
34 ARG VAL LEU PHE GLU ALA MET 0.452055 0.650794
35 GLU LEU ALA GLY ILE GLY ILE ALA THR VAL 0.451852 0.862745
36 GLU GLU TYR LEU LYS ALA TRP THR PHE 0.451219 0.71875
37 SER LEU TYR ASN THR ILE ALA THR LEU 0.45 0.87037
38 LEU GLU LYS ALA ARG GLY SER THR TYR 0.449367 0.790323
39 LEU LEU TYR GLY PHE VAL ASN TYR ILE 0.448276 0.821429
40 SER LEU TYR LEU THR VAL ALA THR LEU 0.447761 0.830189
41 GLY ASN TYR SER PHE TYR ALA LEU 0.447761 0.839286
42 GLY ILE TRP GLY PHE VAL PHE THR LEU 0.447368 0.79661
43 LEU TYR LEU VAL CYS GLY GLU ARG GLY PHE 0.44586 0.714286
44 SER LEU PHE ASN THR ILE ALA VAL LEU 0.445205 0.901961
45 LEU TYR ALA SER PRO GLN LEU GLU GLY PHE 0.445122 0.701493
46 TYR GLN GLU SER THR ASP PHE THR PHE LEU 0.444444 0.807692
47 ALA THR ILE GLY THR ALA MET TYR LYS 0.443709 0.79661
48 CYS VAL ASN GLY SER CYS PHE THR VAL 0.443662 0.903846
49 LEU ALA GLY ILE GLY ILE LEU THR VAL 0.44186 0.843137
50 SER LEU PHE ASN THR VAL ALA THR LEU TYR 0.439189 0.785714
51 ACE ILE TYR GLU SER LEU 0.438462 0.867925
52 SER ILE ILE ASN PHE GLU LYS LEU 0.4375 0.90566
53 ALA ALA GLY ILE GLY ILE LEU THR VAL 0.4375 0.843137
54 GLY ALA GLU VAL PHE TYR VAL ASP GLY ALA 0.43662 0.785714
55 LYS VAL ILE THR PHE ILE ASP LEU 0.43662 0.923077
56 ALA ILE PHE GLN SER SER MET THR LYS 0.435374 0.842105
57 SER LEU ASN TYR ILE ILE LYS VAL LYS GLU 0.434211 0.859649
58 PHE LEU SER TYR LYS 0.432836 0.807018
59 ALA LEU ALA GLY ILE GLY ILE LEU THR VAL 0.430769 0.843137
60 LEU LEU TYR GLY PHE VAL ASN TYR VAL 0.430556 0.803571
61 ASN GLN LEU ALA TRP PHE ASP THR ASP LEU 0.429487 0.745763
62 MET LEU ILE TYR SER MET TRP GLY LYS 0.429412 0.720588
63 THR THR ALA PRO PHE LEU SER GLY LYS 0.427673 0.765625
64 PRO ALA ILE LEU TYR ALA LEU LEU SER SER 0.427586 0.830508
65 ILE LEU SER ALA LEU VAL GLY ILE VAL 0.427481 0.86
66 ILE LEU SER ALA LEU VAL GLY ILE LEU 0.427481 0.86
67 GLU ASN LEU TYR PHE GLN 0.426471 0.736842
68 SER ILE ILE GLN PHE GLU HIS LEU 0.425676 0.754098
69 SER GLU ASP GLU PHE TYR ASP ALA LEU SER 0.425676 0.821429
70 VAL TYR ARG SER LEU SEP PHE GLU 0.42446 0.775862
71 LYS LEU PHE SER PHE GLY GLY 0.423077 0.867925
72 ASP ILE ALA TYR TYR THR SER GLU PRO 0.422819 0.731343
73 MET PHE SER ILE ASP ASN ILE LEU ALA 0.422819 0.839286
74 SER LEU TYR ASN THR VAL ALA THR LEU 0.422535 0.833333
75 GLY SER TYR LEU VAL THR SER VAL 0.421053 0.886792
76 ARG GLY PHE ALA LEU M3L SER THR HIS GLY 0.420118 0.631579
77 TYR SER THR CYS TYR PHE ILE MET 0.41958 0.745763
78 SER LEU TYR ASN VAL VAL ALA THR LEU 0.41958 0.833333
79 GRN NVA ALA GLY ILE GLY ILE LEU THR LPH 0.419355 0.854545
80 THR LEU MET THR GLY GLN LEU GLY LEU PHE 0.418605 0.84
81 LEU ALA ILE TYR SER 0.418605 0.811321
82 ALA LEU GLY ILE GLY ILE LEU THR VAL 0.417323 0.88
83 VAL GLN GLN GLU SER SER PHE VAL MET 0.417266 0.836364
84 SER SER LEU GLU ASN PHE ARG ALA TYR VAL 0.417178 0.761905
85 CYS THR GLU LEU LYS LEU SER ASP TYR 0.416107 0.857143
86 PHE LEU ARG GLY ARG ALA TYR GLY LEU 0.416107 0.725806
87 ASP GLU LEU GLU ILE LYS ALA TYR 0.414966 0.803571
88 GLY ASN PHE LEU GLN SER ARG 0.413793 0.827586
89 ALA GLU THR PHE 0.413223 0.82
90 ALA GLN PHE SER ALA SER ALA SER ARG 0.413043 0.789474
91 THR ASN GLU PHE ALA PHE 0.412698 0.698113
92 PHE LEU ALA TYR LYS 0.411765 0.736842
93 PHE GLU ASP LEU ARG VAL LEU SER PHE 0.411765 0.79661
94 ILE PRO ALA TYR GLY VAL LEU THR ILE 0.411392 0.738462
95 SER SER VAL ILE GLY VAL TRP TYR LEU 0.411392 0.786885
96 GLU ILE ILE ASN PHE GLU LYS LEU 0.410959 0.814815
97 ASP ASP ASP MET GLY PHE GLY LEU PHE ASP 0.410853 0.807692
98 ACE LEU PHE PHE GLK CF0 GLU 0.409836 0.722222
99 ILE ARG LYS ILE LEU PHE LEU ASP GLY ILE 0.408805 0.733333
100 LEU GLY TYR GLY PHE VAL ASN TYR ILE 0.408163 0.821429
101 ILE LEU ALA LYS PHE LEU HIS GLU LEU 0.407895 0.677419
102 PHE GLU ALA ILE PRO ALA GLU TYR LEU 0.40625 0.656716
103 LYS VAL LEU SER LYS ILE PHE MYR 0.405063 0.872727
104 SER SER THR ARG GLY ILE SER GLN LEU TRP 0.404762 0.769231
105 GLU LEU ARG SER ARG TYR TRP ALA ILE 0.404762 0.710145
106 LEU VAL THR LEU VAL PHE VAL 0.40458 0.78
107 ALA LEU TYR ASN THR ALA ALA ALA LEU 0.404412 0.777778
108 ARG GLN ALA ASN PHE LEU GLY LYS 0.404412 0.826923
109 GLU THR PHE TYR VAL ASP GLY 0.404255 0.854545
110 PRO GLU SEP LEU GLU SER CYS PHE 0.404255 0.779661
111 GLN VAL ASN PHE LEU GLY LYS 0.40411 0.814815
112 ASN SER THR LEU GLN 0.403226 0.843137
113 ALA ALA SER LEU TYR GLU LYS LYS ALA ALA 0.402778 0.839286
114 PHE GLU ASP LEU ARG VAL SER SER PHE 0.402597 0.79661
115 PHE GLU ASP LEU ARG LEU LEU SER PHE 0.401361 0.79661
116 GLU GLU ASN LEU LEU ASP PHE VAL ARG PHE 0.4 0.721311
Similar Ligands (3D)
Ligand no: 1; Ligand: SER ALA ASN SER PHE THR LEU ILE GLY GLU; 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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