Receptor
PDB id Resolution Class Description Source Keywords
4J84 1.47 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF BETA'-COP/SCYL1 COMPLEX SACCHAROMYCES CEREVISIAE BETA PROPELLER DOMAIN RK MOTIF VESICLE TRAFFICKING GOLGI RETENTION PROTEIN TRANSPORT
Ref.: RULES FOR THE RECOGNITION OF DILYSINE RETRIEVAL MOT COATOMER. EMBO J. V. 32 926 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ALA ARG LYS LEU ASP D:7;
C:6;
 Valid;
Valid;
 none;
none;
 submit data
602.714 n/a O=C([...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4J73 1.44 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF BETA'-COP/P25 COMPLEX SACCHAROMYCES CEREVISIAE BETA PROPELLER DILYSINE MOTIF ER RETRIEVAL SIGNAL COATOMERECOGNITION PROTEIN TRANSPORT
Ref.: RULES FOR THE RECOGNITION OF DILYSINE RETRIEVAL MOT COATOMER. EMBO J. V. 32 926 2013
Members (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 4J84 - ALA ARG LYS LEU ASP n/a n/a
2 4J77 - ALA LYS GLU LYS SER ASP n/a n/a
3 4J79 - GLU LYS VAL HIS VAL GLN n/a n/a
4 2YNO - ALA ALA ALA ALA ALA n/a n/a
5 4J73 - PHE GLU ALA LYS LYS LEU VAL n/a n/a
6 4J81 - LYS PRO HIS SER ASP n/a n/a
7 2YNN - CYS THR PHE LYS THR LYS THR ASN n/a n/a
8 4J78 - LYS THR LYS LEU LEU n/a n/a
9 4J82 - LYS SER HIS GLN GLU n/a n/a
10 4J86 - THR PHE LYS LYS THR ASN n/a n/a
70% Homology Family (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 4J84 - ALA ARG LYS LEU ASP n/a n/a
2 4J77 - ALA LYS GLU LYS SER ASP n/a n/a
3 4J79 - GLU LYS VAL HIS VAL GLN n/a n/a
4 2YNO - ALA ALA ALA ALA ALA n/a n/a
5 4J73 - PHE GLU ALA LYS LYS LEU VAL n/a n/a
6 4J81 - LYS PRO HIS SER ASP n/a n/a
7 2YNN - CYS THR PHE LYS THR LYS THR ASN n/a n/a
8 4J78 - LYS THR LYS LEU LEU n/a n/a
9 4J82 - LYS SER HIS GLN GLU n/a n/a
10 4J86 - THR PHE LYS LYS THR ASN n/a n/a
50% Homology Family (11)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 4J84 - ALA ARG LYS LEU ASP n/a n/a
2 4J77 - ALA LYS GLU LYS SER ASP n/a n/a
3 4J79 - GLU LYS VAL HIS VAL GLN n/a n/a
4 2YNO - ALA ALA ALA ALA ALA n/a n/a
5 4J73 - PHE GLU ALA LYS LYS LEU VAL n/a n/a
6 4J81 - LYS PRO HIS SER ASP n/a n/a
7 2YNN - CYS THR PHE LYS THR LYS THR ASN n/a n/a
8 4J78 - LYS THR LYS LEU LEU n/a n/a
9 4J82 - LYS SER HIS GLN GLU n/a n/a
10 4J86 - THR PHE LYS LYS THR ASN n/a n/a
11 4J8B - LEU LYS THR LYS LEU LEU n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: ALA ARG LYS LEU ASP; Similar ligands found: 125
No: Ligand ECFP6 Tc MDL keys Tc
1 ALA ARG LYS LEU ASP 1 1
2 ALA ARG LYS ILE ASP ASN LEU ASP 0.601942 0.90566
3 ALA LYS PHE ARG HIS ASP 0.596154 0.762712
4 LYS ARG ARG LYS SEP VAL 0.565217 0.793103
5 LYS ARG LYS 0.5625 0.875
6 ALA ARG TPO LYS 0.56044 0.775862
7 ALA LYS GLU LYS SER ASP 0.559524 0.735849
8 ARG ASP ARG ALA ALA LYS LEU 0.555556 0.958333
9 VAL LEU ARG ASP ASP LEU LEU GLU ALA 0.553191 0.92
10 ALA GLU LYS ASP GLU LEU 0.552941 0.875
11 ALA ARG ALA ALA ALA ALA ALA ALA ALA 0.530864 0.875
12 ASN ARG LEU LEU LEU THR GLY 0.521277 0.851852
13 VAL ARG SER ARG ARG CYS LEU ARG LEU 0.510417 0.851852
14 SER ARG LYS ILE ASP ASN LEU ASP 0.508929 0.857143
15 TYR GLU LEU ASP GLU LYS PHE ASP ARG LEU 0.504202 0.813559
16 VAL ARG SER ARG ARG ABA LEU ARG LEU 0.5 0.851852
17 LYS LYS ARG LEU SER VAL GLU 0.5 0.884615
18 ALA LEU ASP LYS TRP ASP 0.495327 0.683333
19 ALA ARG 9AT 0.4875 0.807692
20 PRO VAL LYS ARG ARG LEU ASP LEU GLU 0.487179 0.872727
21 GLU LEU ARG ARG LYS MET MET TYR MET 0.486957 0.770492
22 ASN ARG LEU MET LEU THR GLY 0.485437 0.793103
23 PAC DLY DLY DAR 0.483871 0.826923
24 ARG HIS ARG MLY VAL LEU ARG ASP ASN 0.483607 0.727273
25 SER GLU LEU GLU ILE LYS ARG TYR 0.483051 0.8
26 ALA ARG THR LYS GLN THR ALA ARG 0.479592 0.865385
27 SER LEU LEU LYS LYS LEU LEU ASP 0.477778 0.792453
28 LYS THR LYS LEU LEU 0.477778 0.788462
29 GLY GLY LYS LYS LYS TYR ARG LEU 0.477064 0.824561
30 GLY GLY ARG LYS LYS TYR LYS LEU 0.477064 0.824561
31 GLY GLY LYS LYS ARG TYR LYS LEU 0.477064 0.824561
32 LYS LEU LYS 0.475 0.833333
33 ALA ARG THR M3L GLN THR ALA ALA LYS ALA 0.473214 0.774194
34 ARG LEU GLN ARG ARG ARG GLU THR GLN VAL 0.471698 0.886792
35 LEU GLY GLY ALA LYS GLN ARG GLY ASP VAL 0.471698 0.959184
36 VAL LEU CIR ASP ASP LEU LEU GLU ALA 0.469388 0.843137
37 VAL LYS VAL VAL ALA LYS LYS TYR ARG ASN 0.46789 0.810345
38 ALA ARG M3L SER 0.467391 0.737705
39 ALA ARG THR LYS GLN THR ALA ARG LYS 0.46729 0.849057
40 ALA ARG THR GLU LEU TYR ARG SER LEU 0.466102 0.783333
41 ACE LYS ARG ARG LYS SEP VAL 0.465347 0.793103
42 ILE ARG LYS ILE LEU PHE LEU ASP GLY ILE 0.464567 0.888889
43 LYS ARG LYS ARG LYS ARG LYS ARG LYS ARG 0.461538 0.816327
44 ALA LEU LYS ILE ASP ASN LEU ASP 0.461538 0.773585
45 ACE CSO ARG ALA THR LYS MET LEU 0.46087 0.75
46 PHE GLU ASP LEU ARG LEU LEU SER PHE 0.46087 0.793103
47 ALA ARG THR MLY GLN 0.455446 0.813559
48 ALA ALA LEU THR ARG ALA 0.454545 0.846154
49 ARG ARG ARG GLU THR GLN VAL 0.454545 0.867925
50 ILE LEU GLY LYS PHE LEU HIS ARG LEU 0.452381 0.770492
51 ALA ASP LYS ILE ASP ASN LEU ASP 0.451923 0.773585
52 LEU LYS THR LYS LEU LEU 0.451613 0.788462
53 GLU LEU LYS TPO GLU ARG TYR 0.451613 0.738462
54 ASN ALA LEU LEU ARG TYR LEU LEU ASP 0.451327 0.779661
55 GLY HIS LYS ILE LEU HIS ARG LEU LEU GLN 0.45082 0.783333
56 ALA MET ARG VAL 0.450549 0.807692
57 LYS PRO VAL LEU ARG THR ALA 0.45 0.734375
58 ASN ARG LEU ILE LEU THR GLY 0.45 0.862745
59 VAL ALA ARG SER 0.449438 0.843137
60 ARG ARG ALA ALA 0.448276 0.857143
61 THR ARG ARG GLU THR GLN LEU 0.446602 0.886792
62 LYS ILE LEU HIS ARG LEU LEU GLN ASP 0.445312 0.827586
63 ALA ARG THR M3L GLN THR ALA ARG 0.444444 0.774194
64 GLU LEU LYS ARG LYS MET ILE TYR MET 0.440945 0.770492
65 SER SER ARG LYS GLU TYR TYR ALA 0.440367 0.775862
66 SER PRO LYS ARG ILE ALA 0.4375 0.703125
67 HIS GLU GLU LEU ALA LYS LEU 0.43617 0.833333
68 2UE DLY LYS DAR 0.435644 0.811321
69 HIS LYS ILE LEU HIS ARG LEU LEU GLN ASP 0.435115 0.813559
70 ASN LEU LEU GLN LYS LYS 0.43299 0.8
71 ARG ARG LYS TRP ARG ARG TRP HIS LEU 0.432 0.741935
72 LYS ILE LEU HIS ARG LEU LEU GLN ASP SER 0.42963 0.786885
73 ARG PRO LYS ARG ILE ALA 0.42735 0.725806
74 MET ABA LEU ARG MET THR ALA VAL MET 0.42735 0.807018
75 SER LEU LEU LYS LYS LEU LEU LEU ALA 0.426966 0.769231
76 LYS LYS LYS ALA 0.426829 0.770833
77 ARG HIS ARG MLY VAL LEU ARG ASP TYR 0.425373 0.676056
78 PHE ALN ARG ARG ARG ARG SLL ARG 00S 0.424242 0.740741
79 PHE GLU ASP LEU ARG VAL LEU SER PHE 0.424 0.793103
80 PHE GLU ASP LEU ARG VAL SER SER PHE 0.424 0.793103
81 THR SER ARG HIS LYS ALY LEU MET ALA 0.423077 0.691176
82 5JP PRO LYS ARG ILE ALA 0.422414 0.681818
83 GLU LEU ASN ARG LYS MET ILE TYR MET 0.422222 0.761905
84 ARG ARG ALA THR LYS MET NH2 0.422018 0.789474
85 ILE LYS ARG SER LYS LYS ASN SER LEU ALA 0.421053 0.826923
86 ALA ARG LYS SEP THR GLY GLY LYS 0.420168 0.725806
87 GLN ILE LYS VAL ARG VAL ASP MET VAL 0.420168 0.90566
88 ALA LEU ASP LYS TRP GLN ASN 0.419643 0.694915
89 GLY THR LEU SER ASN ARG ALA SER LYS LEU 0.419355 0.769231
90 ARG GLU ARG SER PRO THR ARG 0.419048 0.714286
91 ARG ARG LYS TRP CIR ARG TRP HIS LEU 0.418605 0.730159
92 GLU ALA GLN THR ARG LEU 0.418182 0.884615
93 ALA LYS ALA ALA 0.416667 0.729167
94 SER ASP TYR GLN ARG LEU 0.416667 0.821429
95 MET CYS LEU ARG MET THR ALA VAL MET 0.416667 0.807018
96 ALA ARG THR ALY GLN THR ALA 0.415094 0.818182
97 PHE ALA GLY LEU ARG GLN ALA VAL THR GLN 0.414414 0.867925
98 GLY ARG LEU LEU PRO 0.413462 0.733333
99 ACE ARG ARG LEU ASN FCL NH2 0.412844 0.733333
100 ARG ARG ILE TYR ASP LEU ILE GLU LEU 0.412698 0.810345
101 ALA LEU LYS ILE ASP ASN MET ASP 0.412281 0.719298
102 ALA MET ALA PRO ARG THR LEU LEU LEU 0.41129 0.681159
103 ARG LEU PRO ALA LYS ALA PRO LEU LEU 0.41129 0.730159
104 ALA ARG M3L SER CYS GLY GLY LYS 08P 0.410853 0.705882
105 ALA ARG 0.410256 0.833333
106 LYS ALA ARG VAL LEU ALA GLU ALA MET SER 0.410256 0.865385
107 LEU THR THR LYS LEU THR ASN THR ASN ILE 0.409524 0.732143
108 GLU GLU ASN LEU LEU ASP PHE VAL ARG PHE 0.409449 0.807018
109 LYS ALA ALA ARG M3L SER ALA 0.409091 0.741935
110 ALA LEU ASP LYS TRP ALA SER 0.408333 0.650794
111 HIS LYS ILE LEU HIS ARG LEU LEU GLN GLU 0.407407 0.79661
112 ARG ARG LEU ILE PHE NH2 0.407407 0.792453
113 PTR LEU ARG VAL ALA 0.40708 0.698413
114 ARG ARG GLY LEU NH2 0.406593 0.86
115 MET CYS LEU ARG NLE THR ALA VAL MET 0.406504 0.793103
116 PHE LEU GLU LYS 0.405941 0.784314
117 ARG ASP ALA ALA 0.404494 0.895833
118 ALA ARG THR ALA ALA THR ALA ARG LYS SER 0.40404 0.792453
119 SER LEU LYS LEU MET THR THR VAL 0.403846 0.689655
120 GLY ASN PHE LEU GLN SER ARG 0.403361 0.793103
121 ARG LEU GLY GLU SER 0.402299 0.857143
122 ALA ARG THR M3L GLN THR ALA 2MR LYS 0.401869 0.758065
123 ALA THR LYS ILE ASP ASN LEU ASP 0.401786 0.732143
124 LYS LYS LYS 0.4 0.75
125 ASP LEU LYS ILE ASP ASN LEU ASP 0.4 0.773585
Similar Ligands (3D)
Ligand no: 1; Ligand: ALA ARG LYS LEU ASP; 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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