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
531.635 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 1256 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 1068 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 922 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
Ligand no: 1; Ligand: ALA ARG LYS LEU ASP; Similar ligands found: 117
No: Ligand ECFP6 Tc MDL keys Tc
1 ALA ARG LYS LEU ASP 1 1
2 ARG ASP ARG ALA ALA LYS LEU 0.670886 0.958333
3 ARG ASP 0.636364 0.854167
4 LYS ARG LYS ARG LYS ARG LYS ARG LYS ARG 0.630137 0.857143
5 LYS ARG LYS 0.625 0.875
6 ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG 0.569444 0.836735
7 LYS LEU LYS 0.56338 0.791667
8 ARG LEU GLY GLU SER 0.539474 0.857143
9 ARG ARG ALA ALA 0.538462 0.857143
10 ALA LYS GLU LYS SER ASP 0.536585 0.698113
11 LYS ARG LYS ARG LYS ARG LYS ARG 0.530864 0.816327
12 LYS THR LYS LEU LEU 0.53012 0.75
13 ALA PRO ALA LEU ARG VAL VAL LYS 0.52809 0.958333
14 LYS LYS LYS 0.514286 0.708333
15 LYS LYS LYS ALA 0.506849 0.729167
16 ARG ASP ALA ALA 0.506329 0.895833
17 VAL LEU ARG ASP ASP LEU LEU GLU ALA 0.505376 0.92
18 ARG LEU GLN ARG ARG ARG GLU THR GLN VAL 0.5 0.886792
19 HIS GLU GLU LEU ALA LYS LEU 0.5 0.791667
20 SER LEU LEU LYS LYS LEU LEU ASP 0.494118 0.773585
21 ARG GLU ALA ALA 0.493976 0.895833
22 TYR GLU LEU ASP GLU LYS PHE ASP ARG LEU 0.491379 0.813559
23 GLU LEU ARG ARG LYS MET MET TYR MET 0.490741 0.770492
24 ARG ARG LEU ILE PHE NH2 0.49 0.792453
25 ARG GLU 0.486486 0.833333
26 SER ARG LYS ILE ASP ASN LEU ASP 0.486239 0.857143
27 LEU LYS THR LYS LEU LEU 0.482759 0.75
28 ARG ARG LYS TRP ARG ARG TRP HIS LEU 0.477876 0.741935
29 ARG ARG GLY LEU NH2 0.476744 0.86
30 ARG ARG ARG ARG ARG ARG ARG ARG 0.475 0.795918
31 LYS ASN LEU 0.474359 0.8
32 ARG SER ARG 0.474359 0.773585
33 SER GLU LEU GLU ILE LYS ARG TYR 0.473684 0.8
34 LYS NLE LYS 0.473684 0.72
35 PRO ALA ALA LYS ARG VAL LYS LEU ASP 0.471264 0.895833
36 ARG LEU TRP SER 0.470588 0.709677
37 ARG ARG ILE TYR ASP LEU ILE GLU LEU 0.470085 0.810345
38 ARG ARG ALA THR LYS MET NH2 0.47 0.789474
39 ALA LYS PHE ARG HIS ASP 0.46729 0.762712
40 ALA ARG LYS ILE ASP ASN LEU ASP 0.46729 0.90566
41 LYS ASP LYS 0.466667 0.75
42 LYS DAB LYS 0.465753 0.693878
43 VAL ARG SER ARG ARG CYS LEU ARG LEU 0.463158 0.851852
44 LYS NVA LYS 0.460526 0.734694
45 ARG ARG ARG TRP ARG ARG LEU THR VAL 0.460177 0.71875
46 ARG VAL 0.459459 0.854167
47 ASN ARG LEU MET LEU THR GLY 0.456311 0.793103
48 ALA LEU ASP LYS TRP ASP 0.456311 0.65
49 LYS GLU LYS 0.454545 0.729167
50 VAL ARG SER ARG ARG ABA LEU ARG LEU 0.453608 0.851852
51 GLU LEU LYS TPO GLU ARG TYR 0.452991 0.738462
52 ALA LYS ARG HIS ARG MLY VAL LEU ARG ASP 0.452174 0.738462
53 ASN ARG LEU LEU LEU THR GLY 0.450549 0.867925
54 THR ALA ARG M3L SER THR 0.449438 0.737705
55 ASN ARG LEU ILE LEU THR GLY 0.44898 0.88
56 LYS GLN LYS 0.448718 0.75
57 PRO VAL LYS ARG ARG LEU ASP LEU GLU 0.443478 0.872727
58 ARG ARG ARG TRP HIS ARG TRP ARG LEU 0.442478 0.725806
59 PHE GLU ALA LYS LYS LEU VAL 0.44186 0.791667
60 SER LEU LEU LYS LYS LEU LEU LEU ALA 0.440476 0.75
61 GLU LEU LYS ARG LYS MET ILE TYR MET 0.438017 0.770492
62 LYS MET LYS 0.4375 0.692308
63 LYS SER LEU LEU GLN GLN LEU LEU THR GLU 0.435644 0.777778
64 GLU GLU ASN LEU LEU ASP PHE VAL ARG PHE 0.433333 0.807018
65 SER ASP TYR GLN ARG LEU 0.432692 0.821429
66 VAL LYS VAL VAL ALA LYS LYS TYR ARG ASN 0.429907 0.810345
67 LYS LEU VAL GLN LEU LEU THR THR THR 0.428571 0.754717
68 LYS LYS 0.428571 0.645833
69 ALA ARG TPO LYS 0.425532 0.775862
70 LYS ASN LYS 0.423077 0.74
71 LEU GLY GLY ALA LYS GLN ARG GLY ASP VAL 0.423077 0.959184
72 LYS ARG ARG LYS SEP VAL 0.421053 0.793103
73 LYS ILE LEU HIS ARG LEU LEU GLN ASP SER 0.419847 0.786885
74 LYS ORN LYS 0.419753 0.75
75 LYS ARG HIS ARG MLY VAL LEU ARG ASP ASN 0.419753 0.709091
76 MET ABA LEU ARG MET THR ALA VAL MET 0.419643 0.807018
77 ALA ASN SER ARG TRP GLN ASP THR ARG LEU 0.419355 0.734375
78 ASN LEU LEU GLN LYS LYS 0.419355 0.795918
79 GLU ALA GLN THR ARG LEU 0.419048 0.884615
80 ALA ARG 0.418919 0.8125
81 ALA LYS ARG HIS ARG LYS VAL LEU ARG ASP 0.418803 0.827586
82 GLU LEU ASN ARG LYS MET ILE TYR MET 0.418605 0.761905
83 GLU LEU ASP LYS TYR ALA SER 0.418182 0.677966
84 GLU ALY ARG 0.417582 0.88
85 ARG HIS LYS ALY LEU MET PHE LYS 0.417323 0.6875
86 GLY GLY LYS LYS ARG TYR LYS LEU 0.416667 0.824561
87 GLY GLY LYS LYS LYS TYR ARG LEU 0.416667 0.824561
88 PHE LEU GLU LYS 0.416667 0.745098
89 GLY GLY ARG LYS LYS TYR LYS LEU 0.416667 0.824561
90 ARG ARG ARG GLU THR GLN VAL 0.416667 0.865385
91 ARG GLY TYR LEU TYR GLN GLY LEU 0.415929 0.762712
92 LEU THR THR LYS LEU THR ASN THR ASN ILE 0.415842 0.714286
93 LYS ALA LYS 0.415584 0.729167
94 VAL ALA ARG SER 0.413793 0.843137
95 PHE ARG TYR LEU GLY 0.412844 0.762712
96 ARG ARG GLY ILE NH2 0.411111 0.823529
97 HIS LYS ILE LEU HIS ARG LEU LEU GLN ASP 0.410853 0.813559
98 SER SER ARG LYS GLU TYR TYR ALA 0.409524 0.775862
99 ILE ARG LYS ILE LEU PHE LEU ASP GLY ILE 0.409449 0.888889
100 SER GLN LEU LYS ASN ASN ALA LYS GLU ILE 0.409091 0.75
101 MET CYS LEU ARG MET THR ALA VAL MET 0.408696 0.807018
102 LYS DPP LYS 0.407895 0.714286
103 ARG ARG LEU LEU ARG GLY HIS ASN GLN TYR 0.407692 0.712121
104 MET ALA ARG 0.406977 0.826923
105 GLU LEU ASP LYS TRP ALA ASN 0.40678 0.645161
106 LYS LEU LEU PHE 0.406593 0.686275
107 ASP LEU LYS ILE ASP ASN LEU ASP 0.40566 0.754717
108 LYS ALA ALA ARG M3L SER ALA 0.40566 0.741935
109 ALA ARG ALA ALA ALA ALA ALA ALA ALA 0.404762 0.875
110 GLY THR LEU SER ASN ARG ALA SER LYS LEU 0.404494 0.75
111 ARG HIS ARG MLZ VAL LEU ARG ASP ASN TYR 0.404412 0.695652
112 SER LEU LYS LEU MET THR THR VAL 0.40404 0.672414
113 ARG HIS ARG MLY VAL LEU ARG ASP ASN 0.403226 0.727273
114 LYS VAL LEU PHE LEU ASP GLY 0.401869 0.769231
115 GLN ARG ALA THR LYS MET NH2 0.401869 0.821429
116 ACE CSO ARG ALA THR LYS MET LEU 0.401709 0.75
117 ASP GLU LEU GLU ILE LYS ALA TYR 0.401709 0.701754
Similar Binding Sites (Proteins are less than 50% similar to leader)
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