Receptor
PDB id Resolution Class Description Source Keywords
5L83 1.9 Å NON-ENZYME: OTHER COMPLEX OF POTATO ATG8 PROTEIN WITH A PEPTIDE FROM IRISH POT PATHOGEN EFFECTOR PROTEIN PEXRD54 PHYTOPHTHORA INFESTANS AUTOPHAGY-RELATED PROTEIN 8 ATG8 INTERACTING MOIF EFFECTORIMMUNE SYSTEM
Ref.: STRUCTURAL BASIS OF HOST AUTOPHAGY-RELATED PROTEIN BINDING BY THE IRISH POTATO FAMINE PATHOGEN EFFECTO PEXRD54. J.BIOL.CHEM. V. 291 20270 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ASP TRP GLU ILE VAL D:1;
C:1;
 Valid;
Valid;
 none;
none;
 submit data
658.709 n/a O=C([...
EDO B:205;
A:205;
B:204;
 Invalid;
Invalid;
Invalid;
 none;
none;
none;
 submit data
62.068 C2 H6 O2 C(CO)...
SO4 B:202;
A:201;
B:201;
B:203;
A:203;
A:204;
A:202;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
none;
none;
 submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5L83 1.9 Å NON-ENZYME: OTHER COMPLEX OF POTATO ATG8 PROTEIN WITH A PEPTIDE FROM IRISH POT PATHOGEN EFFECTOR PROTEIN PEXRD54 PHYTOPHTHORA INFESTANS AUTOPHAGY-RELATED PROTEIN 8 ATG8 INTERACTING MOIF EFFECTORIMMUNE SYSTEM
Ref.: STRUCTURAL BASIS OF HOST AUTOPHAGY-RELATED PROTEIN BINDING BY THE IRISH POTATO FAMINE PATHOGEN EFFECTO PEXRD54. J.BIOL.CHEM. V. 291 20270 2016
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 5L83 - ASP TRP GLU ILE VAL 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: ASP TRP GLU ILE VAL; Similar ligands found: 102
No: Ligand ECFP6 Tc MDL keys Tc
1 ASP TRP GLU ILE VAL 1 1
2 ASP TRP ASN 0.635417 0.823529
3 ACE GLU TRP TRP TRP 0.564356 0.823529
4 TRP GLU GLU LEU 0.557692 0.938776
5 ASP PHE GLU GLU ILE 0.543689 0.795918
6 ASP ASN TRP GLN ASN GLY THR SER 0.543307 0.745763
7 MET ASN TRP ASN ILE 0.542056 0.901961
8 ALA SER ASN GLU ASN TRP GLU THR MET 0.539683 0.741935
9 SER LEU LEU MET TRP ILE THR GLN LEU 0.534351 0.786885
10 SER LEU LEU MET TRP ILE THR GLN SER 0.530303 0.786885
11 SER LEU LEU MET TRP ILE THR GLN ALA 0.526316 0.786885
12 ASP ASP TRP ASN TRP GLU VAL GLU ASP 0.521368 0.867925
13 ACE ASN TRP GLU THR PHE 0.520325 0.803571
14 SER LEU LEU MET TRP ILE THR GLN CYS 0.518519 0.786885
15 ARG ARG ARG ARG TRP ARG GLU ARG GLN 0.516393 0.716667
16 THR SER THR LEU GLN GLU GLN ILE GLY TRP 0.514493 0.813559
17 ALA ASN SER ARG TRP GLN THR SER ILE ILE 0.510638 0.723077
18 THR SER ASN LEU GLN GLU GLN ILE GLY TRP 0.507143 0.8
19 ARG ARG ARG TRP ARG ARG LEU THR VAL 0.496124 0.71875
20 SER LEU LEU MET TRP ILE THR GLN VAL 0.492754 0.770492
21 GLU ASP ASN ASP TRP ASN 0.490385 0.823529
22 GLU ALA ASP LYS TRP GLN SER 0.48855 0.758621
23 GLN GLU GLU TRP SEP THR VAL MET 0.485294 0.691176
24 ALA ASN SER ARG TRP GLN VAL THR ARG VAL 0.485075 0.69697
25 TYR GLU TRP 0.482143 0.792453
26 ILE ASP TRP PHE GLU GLY LYS GLU 0.482014 0.839286
27 TRP ASN TRP PHE ASP ILE THR ASN LYS 0.481752 0.821429
28 LYS TRP LYS 0.481481 0.759259
29 GLN ALA SER GLN GLU VAL LYS ASN TRP 0.478571 0.766667
30 GLU LEU GLU LYS TRP ALA SER 0.476923 0.807018
31 TRP GLU TYR ILE PRO ASN VAL 0.47619 0.716418
32 ALA TRP LEU PHE GLU ALA 0.475806 0.938776
33 PRO ALA TRP ASP GLU THR ASN LEU 0.475177 0.770492
34 LYS GLN TRP LEU VAL TRP LEU PHE LEU 0.474453 0.836364
35 FME ASP VAL GLU ALA TRP LEU 0.474453 0.851852
36 GLU GLN ASP LYS TRP ALA SER 0.473684 0.758621
37 ILE ASP TRP PHE ASP GLY LYS GLU 0.471429 0.839286
38 LEU GLU LEU ASP LYS TRP ALA SER LEU 0.471014 0.810345
39 MET LEU TRP GLY TYR LEU GLN TYR VAL 0.468085 0.741935
40 SER SER VAL ILE GLY VAL TRP TYR LEU 0.464286 0.783333
41 GLU LEU ASP LYS TRP ALA ASN 0.462687 0.839286
42 SER ARG TYR TRP ALA ILE ARG THR ARG 0.462585 0.676471
43 LEU LEU TRP ASN GLY PRO ILE ALA VAL 0.458904 0.761905
44 SER VAL TYR ASP PHE PHE VAL TRP LEU 0.455882 0.779661
45 GLU ASN ASP LYS TRP ALA SER 0.455224 0.745763
46 ALA ALA TRP LEU PHE GLU ALA 0.453846 0.938776
47 ALA LEU ASP LYS TRP ASP 0.451613 0.87037
48 LEU LEU TRP ASN GLY PRO MET GLN VAL 0.45098 0.701493
49 GLU LEU ASP ORN TRP ALA SER 0.447761 0.839286
50 MET GLU ASP TPO GLN MSE ILE ASP TRP ASP 0.447552 0.712121
51 GLU LEU ASP LYS TRP ALA SER 0.444444 0.824561
52 VAL CYS TRP GLY GLU LEU MET ASN LEU 0.444444 0.783333
53 GLU LEU ASP LYS TRP ALA GLY 0.443609 0.87037
54 GLU LEU ASP HOX TRP ALA SER 0.437956 0.824561
55 GLY LYS ILE SER LYS HIS TRP THR GLY ILE 0.437909 0.746032
56 LYS ARG TRP ILE ILE LEU GLY LEU ASN LYS 0.437909 0.761905
57 GLN ALA SER GLN ASP VAL LYS ASN TRP 0.4375 0.766667
58 ILE ASP TRP PHE ASP GLY LYS ASP 0.435714 0.839286
59 ARG LEU TRP SER 0.435484 0.737705
60 ARG GLN PHE GLY PRO ASP TRP ILE VAL ALA 0.435294 0.705882
61 ASP SER TRP LYS ASP GLY CYS TYR 0.434483 0.671875
62 GLU LEU ARG SER ARG TYR TRP ALA ILE 0.434211 0.705882
63 SER ARG ARG TRP ARG ARG TRP ASN ARG 0.433071 0.651515
64 SER SER VAL VAL GLY VAL TRP TYR LEU 0.431655 0.766667
65 PHE GLN TRP MET GLY TYR GLU LEU TRP 0.430464 0.730159
66 ALA ASN SER ARG TRP GLN ASP THR ARG LEU 0.42953 0.712121
67 GLU GLU TYR LEU LYS ALA TRP THR PHE 0.428571 0.770492
68 ALA TRP VAL ILE PRO ALA 0.428571 0.721311
69 SER PRO LEU ASP SER LEU TRP TRP ILE 0.427586 0.716418
70 GLY LEU MET TRP LEU SER TYR PHE VAL 0.426573 0.734375
71 MET ASP TRP ASN MET HIS ALA ALA 0.425532 0.779661
72 ARG ARG ARG TRP HIS ARG TRP ARG LEU 0.425373 0.725806
73 TYR TRP ALA ALA ALA ALA 0.425 0.773585
74 GLU LEU ASP NRG TRP ALA SER 0.424658 0.652778
75 GLU LEU ASP HIS TRP ALA SER 0.42446 0.824561
76 MET LEU ILE TYR SER MET TRP GLY LYS 0.424051 0.716418
77 ARG PHE MET ASP TYR TRP GLU GLY LEU 0.424051 0.691176
78 GLY ILE TRP GLY PHE VAL PHE THR LEU 0.422535 0.824561
79 GLU GLU ILE ASP VAL VAL SER VAL 0.422414 0.660714
80 LYS ARG TRP ILE ILE MET GLY LEU ASN LYS 0.42236 0.716418
81 ASP GLU ASP LYS TRP ASP ASP PHE 0.421875 0.781818
82 LYS ARG LYS SER ARG TRP ASP GLU THR PRO 0.420732 0.616438
83 GLY GLU GLU TRP GLY PRO TRP VAL NH2 0.42029 0.725806
84 PCA GLN TRP 0.418803 0.807692
85 ASP ASN ARG LEU GLY LEU VAL TYR TRP PHE 0.418033 0.811321
86 ASP GLU LEU GLU ILE LYS ALA TYR 0.41791 0.706897
87 THR SER THR THR SER VAL ALA SER SER TRP 0.417323 0.785714
88 SER SER THR ARG GLY ILE SER GLN LEU TRP 0.415584 0.738462
89 ALA ASN SER ARG TRP ALY THR SER ILE ILE 0.415584 0.666667
90 ALA LEU ASP LYS TRP ALA SER 0.410448 0.824561
91 LEU LEU TRP ASN GLY PRO MET ALA VAL 0.407643 0.701493
92 LYS TRP 0.407407 0.735849
93 LYS VAL PRO ARG ASN GLN ASP TRP LEU 0.403614 0.671429
94 PRO ALA TRP LEU PHE GLU ALA 0.402778 0.821429
95 VAL GLY LEU TRP LYS SER 0.401575 0.785714
96 VAL ASN ASP ILE PHE GLU ALA ILE 0.401515 0.803922
97 ARG ARG LYS TRP ARG ARG TRP HIS LEU 0.401408 0.714286
98 LEU LEU TRP ALA GLY PRO MET ALA VAL 0.401316 0.69697
99 GLU GLY PRO ARG ASN GLN ASP TRP LEU 0.401235 0.671429
100 GLY SER HIS LEU GLU VAL GLN GLY TYR TRP 0.401235 0.734375
101 ACE 1PA GLU GLU ILE 0.4 0.74
102 ACE TRP ARG VAL PRO 0.4 0.647059
Similar Ligands (3D)
Ligand no: 1; Ligand: ASP TRP GLU ILE VAL; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5L83; Ligand: ASP TRP GLU ILE VAL; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 5l83.bio2) has 17 residues
No: Leader PDB Ligand Sequence Similarity
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