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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 1443 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 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: ASP TRP GLU ILE VAL; Similar ligands found: 97
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 0.651376 0.867925
3 ASP TRP ASN 0.635417 0.823529
4 GLU ASP ASN ASP TRP ASN 0.635417 0.823529
5 MET ASN TRP ASN ILE 0.621359 0.901961
6 ACE GLU TRP TRP TRP 0.564356 0.823529
7 TRP GLU GLU LEU 0.557692 0.938776
8 ASP PHE GLU GLU ILE 0.543689 0.795918
9 ALA SER ASN GLU ASN TRP GLU THR MET 0.539683 0.741935
10 TYR GLU TRP 0.537037 0.792453
11 SER LEU LEU MET TRP ILE THR GLN LEU 0.534351 0.786885
12 SER LEU LEU MET TRP ILE THR GLN SER 0.530303 0.786885
13 SER LEU LEU MET TRP ILE THR GLN ALA 0.526316 0.786885
14 ACE ASN TRP GLU THR PHE 0.520325 0.803571
15 SER LEU LEU MET TRP ILE THR GLN CYS 0.518519 0.786885
16 GLN GLU GLU TRP SEP THR VAL MET 0.514925 0.691176
17 THR SER THR LEU GLN GLU GLN ILE GLY TRP 0.514493 0.813559
18 ALA ASN SER ARG TRP GLN THR SER ILE ILE 0.510638 0.723077
19 THR SER ASN LEU GLN GLU GLN ILE GLY TRP 0.507143 0.8
20 LYS GLN TRP ASP ASN TYR GLU PHE ILE TRP 0.507143 0.824561
21 ASP GLU ASP LYS TRP ASP ASP PHE 0.504132 0.781818
22 SER TRP PHE GLN THR ASP LEU 0.503759 0.824561
23 LYS GLN TRP ASP ASN TYR GLU PTR ILE TRP 0.503311 0.712121
24 ARG ARG ARG TRP ARG ARG LEU THR VAL 0.496124 0.71875
25 SER LEU LEU MET TRP ILE THR GLN VAL 0.492754 0.770492
26 LEU LEU GLU LEU ASP LYS TRP ALA NH2 0.492188 0.886792
27 GLU ALA ASP LYS TRP GLN SER 0.48855 0.758621
28 ILE ASP TRP PHE GLU GLY LYS GLU 0.482014 0.839286
29 TRP ASN TRP PHE ASP ILE THR ASN LYS 0.481752 0.821429
30 LYS TRP LYS 0.481481 0.759259
31 GLN ALA SER GLN GLU VAL LYS ASN TRP 0.478571 0.766667
32 GLU LEU GLU LYS TRP ALA SER 0.476923 0.807018
33 TRP GLU TYR ILE PRO ASN VAL 0.47619 0.716418
34 PRO ALA TRP ASP GLU THR ASN LEU 0.475177 0.770492
35 GLU GLN ASP LYS TRP ALA SER 0.473684 0.758621
36 ILE ASP TRP PHE ASP GLY LYS GLU 0.471429 0.839286
37 LEU GLU LEU ASP LYS TRP ALA SER LEU 0.471014 0.810345
38 MET LEU TRP GLY TYR LEU GLN TYR VAL 0.468085 0.741935
39 MET GLU ASP TPO GLN MSE ILE ASP TRP ASP 0.464789 0.712121
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 SER VAL TYR ASP PHE PHE VAL TRP LEU 0.455882 0.779661
44 GLU ASN ASP LYS TRP ALA SER 0.455224 0.745763
45 ALA LEU ASP LYS TRP ASP 0.451613 0.87037
46 GLU LEU ASP ORN TRP ALA SER 0.447761 0.839286
47 LYS TRP 0.447619 0.754717
48 GLY GLU GLU TRP GLY PRO TRP VAL NH2 0.444444 0.725806
49 GLU LEU ASP LYS TRP ALA SER 0.444444 0.824561
50 VAL CYS TRP GLY GLU LEU MET ASN LEU 0.444444 0.783333
51 GLU LEU ASP LYS TRP ALA GLY 0.443609 0.87037
52 THR ASN GLU TYR TYR VAL 0.441441 0.727273
53 GLU LEU ASP HOX TRP ALA SER 0.437956 0.824561
54 LYS ARG TRP ILE ILE LEU GLY LEU ASN LYS 0.437909 0.761905
55 GLY LYS ILE SER LYS HIS TRP THR GLY ILE 0.437909 0.746032
56 GLN ALA SER GLN ASP VAL LYS ASN TRP 0.4375 0.766667
57 LYS ARG LYS SER ARG TRP ASP GLU THR PRO 0.437086 0.616438
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 ASP ASN ARG LEU GLY LEU VAL TYR TRP PHE 0.433333 0.811321
64 SER ARG ARG TRP ARG ARG TRP ASN ARG 0.433071 0.651515
65 SER SER VAL VAL GLY VAL TRP TYR LEU 0.431655 0.766667
66 PHE GLN TRP MET GLY TYR GLU LEU TRP 0.430464 0.730159
67 ALA ASN SER ARG TRP GLN ASP THR ARG LEU 0.42953 0.712121
68 GLU GLU TYR LEU LYS ALA TRP THR PHE 0.428571 0.770492
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 ARG PHE MET ASP TYR TRP GLU GLY LEU 0.424051 0.691176
77 MET LEU ILE TYR SER MET TRP GLY LYS 0.424051 0.716418
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 ASN GLN LEU ALA TRP PHE ASP THR ASP LEU 0.421769 0.87037
82 THR ASN GLU TYR LYS VAL 0.421488 0.661017
83 PCA GLN TRP 0.418803 0.807692
84 ASP GLU LEU GLU ILE LYS ALA TYR 0.41791 0.706897
85 THR SER THR THR SER VAL ALA SER SER TRP 0.417323 0.785714
86 SER SER THR ARG GLY ILE SER GLN LEU TRP 0.415584 0.738462
87 ALA ASN SER ARG TRP ALY THR SER ILE ILE 0.415584 0.666667
88 PRO GLN PRO VAL ASP SER TRP VAL 0.413333 0.69697
89 ALA LEU ASP LYS TRP ALA SER 0.410448 0.824561
90 LEU LEU TRP ASN GLY PRO MET ALA VAL 0.407643 0.701493
91 MET ASN GLU ASN ILE 0.403846 0.72549
92 LYS VAL PRO ARG ASN GLN ASP TRP LEU 0.403614 0.671429
93 VAL ASN ASP ILE PHE GLU ALA ILE 0.401515 0.803922
94 ARG ARG LYS TRP ARG ARG TRP HIS LEU 0.401408 0.714286
95 GLY SER HIS LEU GLU VAL GLN GLY TYR TRP 0.401235 0.734375
96 GLU GLY PRO ARG ASN GLN ASP TRP LEU 0.401235 0.671429
97 ACE 1PA GLU GLU ILE 0.4 0.74
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: 112
This union binding pocket(no: 1) in the query (biounit: 5l83.bio2) has 17 residues
No: Leader PDB Ligand Sequence Similarity
1 1SS4 GSH None
2 5M6N 7H9 None
3 2HO2 PRO PRO PRO PRO PRO PRO PRO PRO PRO LEU None
4 1F9V ADP None
5 6GNO XDI None
6 4MTI 2DX None
7 3UW4 MAA CHG PRO 0DQ None
8 3JQG AX6 None
9 2OFV 242 None
10 3BMQ AX5 None
11 43CA NPO None
12 1QKQ MAN None
13 4CM9 YGL None
14 1WLJ U5P None
15 1R1Q ACE ARG GLU PTR VAL ASN VAL None
16 3JQ7 DX2 None
17 3BMO AX4 None
18 3IWD M2T None
19 3CM2 X23 1.78571
20 5OQW A4E 1.78571
21 1NX0 ALA LYS ALA ILE ALA 1.78571
22 5C83 4YN 1.81818
23 6C8X BVR 2.0202
24 2VSL MAA LYS PRO PHE 2.08333
25 5EW9 5VC 2.67857
26 3RS8 ALA TRP LEU PHE GLU ALA 2.67857
27 3WYJ H78 2.67857
28 4FFG LBS 2.67857
29 3MVH WFE 2.67857
30 1S4M LUM 2.67857
31 1D0L BLG 2.67857
32 5C5H 4YB 3.57143
33 4J4H NAI 3.57143
34 4QAC KK3 3.57143
35 2BVE PH5 4.46429
36 4D52 GIV 4.46429
37 4D52 GXL 4.46429
38 5N5U 7N8 4.46429
39 1RDL MMA 4.46429
40 5BVE 4VG 5.35714
41 4WHZ 3NL 5.35714
42 4YRI 4JH 5.35714
43 2ART LPA AMP 5.35714
44 1RYD GLC 5.35714
45 4L3L 5FI 5.35714
46 5LWY OLB 5.60748
47 6FA4 D1W 6.25
48 5DQ8 FLF 6.25
49 2Z3U CRR 6.25
50 1GPM AMP 6.25
51 5OCG 9R5 6.25
52 2YNE NHW 6.25
53 2YNE YNE 6.25
54 5X8G S0N 6.25
55 3E9I XAH 6.25
56 1CLU DBG 6.25
57 6GWR FEW 6.25
58 3IES M24 6.25
59 3E3U NVC 7.14286
60 1BC5 ACE ASN TRP GLU THR PHE 7.14286
61 5VKM GAL SIA 7.14286
62 2GU8 796 7.14286
63 5LYH 7B8 7.14286
64 1W62 PYC 7.14286
65 5W4W 9WG 7.14286
66 1FM9 570 7.14286
67 4KBA 1QM 7.14286
68 1RDT 570 7.14286
69 1Q3P GLU ALA GLN THR ARG LEU 7.33945
70 3BFF FPM 8.03571
71 2JLD AG1 8.03571
72 2XG5 EC2 8.03571
73 2XG5 EC5 8.03571
74 5H2U 1N1 8.03571
75 5FUI APY 8.92857
76 3N75 G4P 8.92857
77 3VRY B43 8.92857
78 1COY FAD 8.92857
79 4RFM 3P6 8.92857
80 1G51 AMP 8.92857
81 2F1K NAP 8.92857
82 1RZM E4P 9.82143
83 3DRG ARG PRO PRO GLY PHE SER PRO PHE ALA 9.82143
84 1I1E DM2 9.82143
85 1RJW ETF 9.82143
86 4Z87 GDP 10.7143
87 5HCY 60D 10.7143
88 1MWH GTG 10.7143
89 2VL1 GLY GLY 10.7143
90 4CS4 ANP 10.7143
91 4CS4 AXZ 10.7143
92 4YUW S4M 11.6071
93 4YUW 4JU 11.6071
94 3NZ1 3NY 11.6071
95 2C78 PUL 11.6071
96 1XOC VAL ASP SER LYS ASN THR SER SER TRP 11.6071
97 3SAO DBH 11.6071
98 4HVA 4HV 11.6071
99 3PP0 03Q 13.3929
100 4CQE CQE 14.2857
101 1LSH PLD 14.2857
102 5FPE 3TR 15.1786
103 3R4S SLB 15.1786
104 6E1Q CFA 15.1786
105 3UW5 MAA CHG PRO 0DQ 16.0714
106 1O44 852 16.6667
107 5KJW 53C 17.8571
108 1ZDQ MSM 17.8571
109 4RF7 ARG 21.4286
110 3H0L ADP 21.4286
111 5XDT MB3 27.6786
112 4GLW NMN 28.5714
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