Receptor
PDB id Resolution Class Description Source Keywords
5GMV 2.25 Å NON-ENZYME: OTHER LC3B-FUNDC1 COMPLEX HOMO SAPIENS LC3B FUNDC1 SPECIFIC RECOGNITION PHOSPHORYLATION SELECTIMITOPHAGY PROTEIN BINDING
Ref.: STRUCTURAL INSIGHTS INTO THE RECOGNITION OF PHOSPHO FUNDC1 BY LC3B IN MITOPHAGY PROTEIN CELL V. 8 25 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ASP SEP TYR GLU VAL LEU ASP LEU D:16;
C:16;
 Valid;
Valid;
 Atoms found LESS than expected: % Diff = 0.014;
Atoms found LESS than expected: % Diff = 0.014;
 Kd = 0.59 uM
1012.96 n/a P(=O)...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5GMV 2.25 Å NON-ENZYME: OTHER LC3B-FUNDC1 COMPLEX HOMO SAPIENS LC3B FUNDC1 SPECIFIC RECOGNITION PHOSPHORYLATION SELECTIMITOPHAGY PROTEIN BINDING
Ref.: STRUCTURAL INSIGHTS INTO THE RECOGNITION OF PHOSPHO FUNDC1 BY LC3B IN MITOPHAGY PROTEIN CELL V. 8 25 2017
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 5GMV Kd = 0.59 uM ASP SEP TYR GLU VAL LEU ASP LEU n/a n/a
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 5E6O Kd = 76.9 uM TRP GLU GLU LEU n/a n/a
2 5GMV Kd = 0.59 uM ASP SEP TYR GLU VAL LEU ASP 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: ASP SEP TYR GLU VAL LEU ASP LEU; Similar ligands found: 84
No: Ligand ECFP6 Tc MDL keys Tc
1 ASP SEP TYR GLU VAL LEU ASP LEU 1 1
2 ASP LEU TYR CYS TYR GLU GLN LEU ASN 0.545455 0.730159
3 GLU ASP GLU ASP PHE GLU ILE LEU SEP LEU 0.537931 0.87931
4 ASP ALA ASP GLU TYR LEU 0.532258 0.803571
5 TYR ALA GLY SEP TPO ASP GLU ASN 0.510204 0.870968
6 GLU VAL TYR GLU SER 0.508197 0.789474
7 ASP PHE GLU LYS GLU GLY TYR SER LEU 0.496599 0.738462
8 ASP PHE GLU ASP TYR GLU PHE ASP 0.492063 0.688525
9 ALA GLU THR PHE TYR VAL ASP GLY 0.488722 0.762712
10 GLU ASP GLU ASP PHE GLU ILE LEU SER LEU 0.479167 0.75
11 GLY ALA ALA ARG ALA GLU VAL TYR LEU ARG 0.476821 0.69697
12 ASP GLU THR ASN LEU 0.471545 0.706897
13 TYR LEU ASP SER GLY ILE HIS SER GLY ALA 0.471074 0.789474
14 SER GLU ASP GLU PHE TYR ASP ALA LEU SER 0.468966 0.8
15 GLU ARG GLU SEP GLU PHE ASP ILE GLU ASP 0.467532 0.757576
16 ASP PHE GLU GLU ILE PRO GLY GLU TYR LEU 0.462963 0.621622
17 ASP ARG VAL TYR 0.46281 0.77193
18 ASP GLU PTR GLU ASN VAL ASP 0.462687 0.864407
19 VAL TYR ARG SER LEU SEP PHE GLU 0.459854 0.87931
20 THR ASN LEU TYR MET LEU 0.459259 0.741935
21 ARG ARG ILE TYR ASP LEU ILE GLU LEU 0.453333 0.712121
22 PRO GLU GLY ASP PM3 GLU GLU VAL LEU 0.450704 0.8
23 GLU LEU ASP LYS TYR ALA SER 0.45 0.8
24 ACE GLU ASN LEU TYR PHE GLN SER GLY THR 0.45 0.709677
25 ASP GLU LEU GLU ILE LYS ALA TYR 0.448276 0.725806
26 LYS MET ASP SEP PHE LEU ASP MET GLN LEU 0.448052 0.8
27 SER LEU ASN TYR ILE ILE LYS VAL LYS GLU 0.447368 0.75
28 ASN ALA LEU LEU ARG TYR LEU LEU ASP 0.446809 0.712121
29 SER SER LEU GLU ASN PHE ALA ALA TYR VAL 0.446667 0.786885
30 ASP ALA ASP GLU FTY LEU NH2 0.445255 0.813559
31 ASP ARG VAL TYR ILE HIS PRO PHE 0.444444 0.630137
32 GLY ALA GLU VAL PHE TYR VAL ASP GLY ALA 0.440559 0.709677
33 CYS THR GLU LEU LYS LEU SER ASP TYR 0.439189 0.774194
34 GLU THR PHE TYR VAL ASP GLY 0.438849 0.741935
35 GLU LEU LYS TPO GLU ARG TYR 0.437909 0.833333
36 LYS LYS ALA THR GLN ALA SEP GLN GLU TYR 0.4375 0.929825
37 HIS LEU TYR PHE SER SEP ASN 0.434211 0.808824
38 CYS THR GLU LEU LYS LEU ASN ASP TYR 0.432432 0.746032
39 ALA THR LYS ALA SEP GLN GLU LEU 0.432 0.857143
40 GLU GLU ASN LEU LEU ASP PHE VAL ARG PHE 0.431373 0.632353
41 TYR GLU LEU ASP GLU LYS PHE ASP ARG LEU 0.431373 0.691176
42 TYR HIS SEP VAL VAL ARG TYR ALA 0.43038 0.726027
43 SER ILE TYR PHE TPO PRO GLU LEU TYR ASP 0.430233 0.756757
44 LEU TYR LEU VAL CYS GLY GLU ARG VAL 0.429487 0.671642
45 GLU GLU TYR LEU GLN ALA PHE THR TYR 0.426667 0.75
46 ALA ALA SER LEU TYR GLU LYS LYS ALA ALA 0.426573 0.758065
47 LEU TYR LEU VAL CYS GLY GLU ARG GLY 0.425806 0.671642
48 PHE GLU ASP LEU ARG VAL LEU SER PHE 0.424837 0.671642
49 GLY ALA GLU THR PHE TYR VAL ASP GLY ALA 0.422819 0.730159
50 GLU ASN LEU TYR PHE GLN 0.42029 0.721311
51 ALA ARG THR GLU LEU TYR ARG SER LEU 0.42 0.742424
52 ARG HIS ARG MLY VAL LEU ARG ASP TYR 0.417178 0.607595
53 TYR ASP LEU SEP LEU PRO PHE PRO 0.417178 0.777778
54 TYR LEU ASP SEP GLY ILE HIS SER GLY ALA 0.417178 0.774648
55 PHE GLU ASP LEU ARG VAL SER SER PHE 0.415584 0.671642
56 SER LEU PHE ASN THR VAL ALA THR LEU TYR 0.414474 0.737705
57 ARG HIS ARG MLZ VAL LEU ARG ASP ASN TYR 0.414201 0.602564
58 SER LEU TYR ASN VAL VAL ALA THR LEU 0.413793 0.779661
59 ASP PHE GLN GLU SER ALA ASP SER PHE LEU 0.413793 0.737705
60 GLU LEU ASP 1OL VAL GLU PHE 0.412162 0.706897
61 SER SER LEU GLU ASN PHE ARG ALA TYR VAL 0.412121 0.720588
62 GLU TYR LEU GLY LEU ASP VAL PRO VAL 0.411392 0.657143
63 SER LEU TYR ASN THR VAL ALA THR LEU 0.406897 0.779661
64 GLY ILE LEU GLU PHE VAL PHE THR LEU 0.406897 0.693548
65 ACE ASP GLU VAL ASP ASP GLU VAL ASP 0.40678 0.631579
66 SER LEU ARG PHE LEU TYR GLU GLY 0.406667 0.705882
67 SER VAL TYR ASP PHE PHE VAL TRP LEU 0.406452 0.712121
68 ALA GLN ASP ILE TYR ARG ALA SER TYR 0.40625 0.705882
69 GLU VAL PTR GLU SER PRO 0.405405 0.785714
70 LEU TYR LEU VAL CYS GLY GLU ARG GLY PHE 0.404908 0.652174
71 GLN TYR PHE MET TPO GLU PTR VAL ALA 0.404762 0.80597
72 THR ASN GLU TYR LYS VAL 0.404412 0.709677
73 THR GLU ASN LEU TYR PHE GLN SER GLY THR 0.403846 0.75
74 ALA VAL TYR ASP GLY ARG GLU HIS THR VAL 0.403614 0.635135
75 TYR ASP GLN ILE LEU 0.402985 0.77193
76 SER LEU LYS ILE ASP ASN GLU ASP 0.402778 0.666667
77 PRO PRO THR LEU HIS GLU LEU TYR ASP LEU 0.402367 0.631579
78 ASP ASP ASP ASP TYR 0.401709 0.696429
79 THR ASN GLU TYR TYR VAL 0.401575 0.716667
80 GLY ALA GLN THR PHE TYR VAL ASP GLY ALA 0.401361 0.741935
81 ACE ILE TYR GLU SER LEU 0.4 0.779661
82 SEP GLN GLU TYR NH2 0.4 0.912281
83 LYS VAL LEU PHE LEU ASP GLY 0.4 0.655738
84 SER LEU TYR LEU THR VAL ALA THR LEU 0.4 0.775862
Similar Ligands (3D)
Ligand no: 1; Ligand: ASP SEP TYR GLU VAL LEU ASP 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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