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 1256 families.
1 5L83 - ASP TRP GLU ILE VAL 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 1068 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 922 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: ASP TRP GLU ILE VAL; Similar ligands found: 110
No: Ligand ECFP6 Tc MDL keys Tc
1 ASP TRP GLU ILE VAL 1 1
2 ASP ASP TRP ASN TRP GLU VAL GLU ASP 0.638889 0.849057
3 ASP TRP ASN 0.621053 0.803922
4 GLU ASP ASN ASP TRP ASN 0.621053 0.803922
5 MET ASN TRP ASN ILE 0.617647 0.882353
6 ASP SER LYS ASP VAL LYS GLU TRP TYR VAL ZN 0.59375 0.692308
7 SER LEU LEU MET TRP ILE THR GLN VAL 0.590551 0.770492
8 ACE GLU TRP TRP TRP 0.57 0.84
9 TRP GLU GLU LEU 0.568627 0.9375
10 ASP PHE GLU GLU ILE 0.558824 0.791667
11 ALA ASN SER ARG TRP GLN THR SER ILE ILE 0.553846 0.71875
12 TYR GLU TRP 0.542056 0.788462
13 SER LEU LEU MET TRP ILE THR GLN LEU 0.534884 0.770492
14 LYS GLN TRP ASP ASN TYR GLU PHE ILE TRP 0.528986 0.807018
15 ASP ASN TRP GLN ASN GLY THR SER 0.527559 0.728814
16 SER LEU LEU MET TRP ILE THR GLN SER 0.526718 0.770492
17 LYS GLN TRP ASP ASN TYR GLU PTR ILE TRP 0.52381 0.69697
18 ALA SER ASN GLU ASN TRP GLU THR MET 0.52381 0.725806
19 SER LEU LEU MET TRP ILE THR GLN ALA 0.522727 0.770492
20 ASP GLU ASP LYS TRP ASP ASP PHE 0.517241 0.792453
21 SER LEU LEU MET TRP ILE THR GLN CYS 0.514925 0.770492
22 LYS TRP LYS 0.514852 0.769231
23 GLN GLU GLU TRP SEP THR VAL MET 0.507576 0.686567
24 THR SER THR LEU GLN GLU GLN ILE GLY TRP 0.507246 0.79661
25 ARG ARG ARG TRP ARG ARG LEU THR VAL 0.504 0.703125
26 ACE ASN TRP GLU THR PHE 0.503937 0.785714
27 GLU ALA ASP LYS TRP GLN SER 0.5 0.741379
28 THR SER ASN LEU GLN GLU GLN ILE GLY TRP 0.5 0.783333
29 TRP GLU TYR ILE PRO ASN VAL 0.496504 0.701493
30 ALA ASN SER ARG TRP GLN ASP THR ARG LEU 0.496241 0.71875
31 GLU LEU GLU LYS TRP ALA SER 0.495935 0.803571
32 TRP ASN TRP PHE ASP ILE THR ASN LYS 0.492647 0.803571
33 GLN ALA SER GLN GLU VAL LYS ASN TRP 0.492537 0.75
34 SER SER VAL ILE GLY VAL TRP TYR LEU 0.489051 0.779661
35 ILE ASP TRP PHE GLU GLY LYS GLU 0.488889 0.836364
36 GLU GLN ASP LYS TRP ALA SER 0.488189 0.741379
37 SER ARG TYR TRP ALA ILE ARG THR ARG 0.485915 0.661765
38 LEU GLU LEU ASP LYS TRP ALA SER LEU 0.481203 0.807018
39 SER VAL TYR ASP PHE PHE VAL TRP LEU 0.480916 0.775862
40 MET LEU TRP GLY TYR LEU GLN TYR VAL 0.478261 0.725806
41 ILE ASP TRP PHE ASP GLY LYS GLU 0.477941 0.836364
42 GLU LEU ASP LYS TRP ALA ASN 0.476562 0.836364
43 LYS ARG TRP ILE ILE LEU GLY LEU ASN LYS 0.475862 0.746032
44 LEU LEU GLU LEU ASP LYS TRP ALA NH2 0.473282 0.901961
45 ALA TRP LEU PHE GLU ALA 0.471545 0.9375
46 LYS TRP 0.47 0.745098
47 THR ASN GLU TYR LYS VAL 0.469565 0.666667
48 GLU ASN ASP LYS TRP ALA SER 0.46875 0.728814
49 FME ASP VAL GLU ALA TRP LEU 0.467153 0.867925
50 ALA LEU ASP LYS TRP ASP 0.466102 0.884615
51 GLY LYS ILE SER LYS HIS TRP THR GLY ILE 0.465753 0.741935
52 MET GLU ASP TPO GLN MSE ILE ASP TRP ASP 0.460993 0.69697
53 ASP GLU LEU GLU ILE LYS ALA TYR 0.460938 0.714286
54 THR ASN GLU TYR TYR VAL 0.458716 0.722222
55 GLU LEU ASP LYS TRP ALA SER 0.457364 0.821429
56 GLU LEU ASP LYS TRP ALA GLY 0.453125 0.867925
57 GLU GLU TYR LEU LYS ALA TRP THR PHE 0.452055 0.779661
58 LYS ARG TRP ILE ILE MET GLY LEU ASN LYS 0.45098 0.701493
59 GLU LEU ASP ORN TRP ALA SER 0.450382 0.836364
60 MET LEU ILE TYR SER MET TRP GLY LYS 0.450331 0.712121
61 ALA ALA TRP LEU PHE GLU ALA 0.449612 0.9375
62 GLN ALA SER GLN ASP VAL LYS ASN TRP 0.449275 0.75
63 GLY LEU MET TRP LEU SER TYR PHE VAL 0.446809 0.730159
64 ASP ASN ARG LEU GLY LEU VAL TYR TRP PHE 0.444444 0.807692
65 GLU PRO GLN ALA PRO TRP MET GLU GLN 0.444444 0.666667
66 ARG GLN PHE GLY PRO ASP TRP ILE VAL ALA 0.443114 0.691176
67 PHE GLN TRP MET GLY TYR GLU LEU TRP 0.442953 0.714286
68 ARG ARG ARG TRP HIS ARG TRP ARG LEU 0.44186 0.709677
69 ARG LEU TRP SER 0.441667 0.721311
70 ALA ASN SER ARG TRP ALY THR SER ILE ILE 0.441379 0.671642
71 ILE ASP TRP PHE ASP GLY LYS ASP 0.441176 0.836364
72 GLU GLU ILE ASP VAL VAL SER VAL 0.438596 0.654545
73 SER SER VAL VAL GLY VAL TRP TYR LEU 0.437956 0.762712
74 GLU LEU ASP HOX TRP ALA SER 0.437037 0.807018
75 SER ARG ARG TRP ARG ARG TRP ASN ARG 0.435484 0.636364
76 GLU ILE ILE ASN PHE GLU LYS LEU 0.434109 0.709091
77 SER ILE ILE ASN PHE GLU LYS LEU 0.434109 0.661017
78 GLU LEU ASP HIS TRP ALA SER 0.433824 0.821429
79 VAL CYS TRP GLY GLU LEU MET ASN LEU 0.433566 0.766667
80 LYS ARG LYS SER ARG TRP ASP GLU THR PRO 0.433121 0.60274
81 GLY GLU GLU TRP GLY PRO TRP VAL NH2 0.432836 0.721311
82 MET ASP TRP ASN MET HIS ALA ALA 0.430657 0.762712
83 TYR TRP ALA ALA ALA ALA 0.428571 0.769231
84 ARG PHE MET ASP TYR TRP GLU GLY LEU 0.428571 0.676471
85 ARG ARG LYS TRP ARG ARG TRP HIS LEU 0.428571 0.698413
86 SER ILE ILE GLY PHE GLU LYS LEU 0.427481 0.684211
87 GLY SER HIS LEU GLU VAL GLN GLY TYR TRP 0.426752 0.71875
88 GLY ILE TRP GLY PHE VAL PHE THR LEU 0.425532 0.821429
89 ASN GLN LEU ALA TRP PHE ASP THR ASP LEU 0.423611 0.851852
90 GLU LEU ASP NRG TRP ALA SER 0.423611 0.638889
91 SER PRO LEU ASP SER LEU TRP TRP ILE 0.423611 0.712121
92 ALA LEU ASP LYS TRP ALA SER 0.421875 0.821429
93 SER SER THR ARG GLY ILE SER GLN LEU TRP 0.421053 0.723077
94 ALA ASN SER ARG VAL GLN ASP SER ILE ILE 0.42 0.62963
95 PCA GLN TRP 0.418803 0.788462
96 ALA ASN SER ARG TRP PRO ALY SER ILE ILE 0.417808 0.681818
97 MET ASN GLU ASN ILE 0.417476 0.705882
98 TYR ASP GLN ILE LEU 0.416667 0.769231
99 VAL ASN ASP ILE PHE GLU ALA ILE 0.415385 0.784314
100 PRO GLN PRO VAL ASP SER TRP VAL 0.414474 0.681818
101 GLU ASP GLU ASP PHE GLU ILE LEU SER LEU 0.413534 0.727273
102 ACE TRP ARG VAL PRO 0.413534 0.632353
103 LYS VAL PRO ARG ASN GLN ASP TRP LEU 0.4125 0.657143
104 PCA LYS TRP 0.411765 0.759259
105 THR SER THR THR SER VAL ALA SER SER TRP 0.409449 0.781818
106 ASP PHE SER ILE 0.409091 0.666667
107 ARG GLN TRP GLY PRO ASP PRO ALA ALA VAL 0.408537 0.661765
108 SER HIS MET ALA GLU ILE 0.403101 0.704918
109 VAL ASP SER LYS ASN THR SER SER TRP 0.40146 0.75
110 ASP SER TRP LYS ASP GLY CYS TYR 0.40146 0.704918
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: 45
This union binding pocket(no: 1) in the query (biounit: 5l83.bio2) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1SS4 GSH 0.00009325 0.5122 None
2 5M6N 7H9 0.0002878 0.49445 None
3 4YEF 4CQ 0.001155 0.4707 None
4 4MTI 2DX 0.003042 0.44216 None
5 1WLJ U5P 0.01373 0.40343 None
6 1R1Q ACE ARG GLU PTR VAL ASN VAL 0.01603 0.40256 None
7 5M6M 7H8 0.0007231 0.43563 1.78571
8 3CM2 X23 0.0004828 0.43423 1.78571
9 1NX0 ALA LYS ALA ILE ALA 0.02504 0.40265 1.78571
10 5C83 4YN 0.0006594 0.4372 1.81818
11 2VSL MAA LYS PRO PHE 0.0008394 0.4328 2.08333
12 5EW9 5VC 0.01304 0.4584 2.67857
13 4FFG LBS 0.0145 0.40533 2.67857
14 5C5H 4YB 0.0168 0.40801 3.57143
15 4J4H NAI 0.04142 0.40557 3.57143
16 2BVE PH5 0.003655 0.43039 4.46429
17 1RDL MMA 0.01301 0.40262 4.46429
18 5BVE 4VG 0.002606 0.4778 5.35714
19 4L3L 5FI 0.02325 0.40364 5.35714
20 4DSU BZI 0.001698 0.45807 6.25
21 1GPM AMP 0.004848 0.43676 6.25
22 5X8G S0N 0.03301 0.41381 6.25
23 3E9I XAH 0.01981 0.40708 6.25
24 3IES M24 0.03474 0.40051 6.25
25 2GU8 796 0.009858 0.44364 7.14286
26 1BC5 ACE ASN TRP GLU THR PHE 0.0009069 0.43382 7.14286
27 1W62 PYC 0.007054 0.42016 7.14286
28 5W4W 9WG 0.01455 0.41497 7.14286
29 3BFF FPM 0.01277 0.41683 8.03571
30 2XG5 EC5 0.01725 0.40581 8.03571
31 2XG5 EC2 0.01725 0.40581 8.03571
32 5FUI APY 0.003185 0.42927 8.92857
33 1COY FAD 0.03709 0.40561 8.92857
34 2F1K NAP 0.02343 0.40091 8.92857
35 1VJY 460 0.01763 0.41202 9.82143
36 1I1E DM2 0.01208 0.40854 9.82143
37 5HCY 60D 0.01177 0.43131 10.7143
38 1MWH GTG 0.006084 0.40941 10.7143
39 3NZ1 3NY 0.0008242 0.47477 11.6071
40 2C78 PUL 0.003636 0.4679 11.6071
41 4CQE CQE 0.01792 0.41715 14.2857
42 1LSH PLD 0.02462 0.4024 14.2857
43 3R4S SLB 0.007719 0.41175 15.1786
44 3UW5 MAA CHG PRO 0DQ 0.0002735 0.49534 16.0714
45 5XDT MB3 0.0168 0.41536 27.6786
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