Receptor
PDB id Resolution Class Description Source Keywords
4J77 1.76 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF BETA'-COP/HWBP1 COMPLEX HOMO SAPIENS BETA PROPELLER DOMAIN DILYSINE MOTIF ER RETRIEVAL PROTEINTRANSPORT
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 LYS GLU LYS SER ASP D:0;
C:1;
Valid;
Valid;
none;
none;
submit data
676.725 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 LYS GLU LYS SER ASP; Similar ligands found: 55
No: Ligand ECFP6 Tc MDL keys Tc
1 ALA LYS GLU LYS SER ASP 1 1
2 ALA GLU LYS ASP GLU LEU 0.666667 0.829787
3 GLY SER LYS MET GLU GLU VAL ASP 0.588889 0.846154
4 ALA ARG LYS LEU ASP 0.559524 0.735849
5 ACE VAL LYS GLU SER LEU VAL 0.551724 0.893617
6 LEU PRO PRO PRO GLU SER GLU SER LYS VAL 0.533333 0.846154
7 ALA LYS ALA SER GLN ALA ALA 0.523256 0.911111
8 LYS GLU LYS 0.520548 0.840909
9 ALA GLU ASP ASP VAL GLU 0.4875 0.744681
10 CYS THR GLU LEU LYS LEU SER ASP TYR 0.482143 0.781818
11 LYS SER LYS 0.479452 0.931818
12 HIS SER LYS LYS LYS CYS ASP GLU LEU 0.477064 0.758621
13 GLY THR LEU SER ASN ARG ALA SER LYS LEU 0.470588 0.87234
14 TYR GLN SER LYS LEU 0.46875 0.777778
15 ALA ALA SER LEU TYR GLU LYS LYS ALA ALA 0.46729 0.796296
16 ALA SER ASN GLU ASP MET GLU THR MET 0.463918 0.773585
17 ALA SER ASN GLU ASN MET GLU THR MET 0.452632 0.773585
18 LYS LYS LYS ALA 0.447368 0.840909
19 SAC ASP 0.441176 0.822222
20 ALA DGL 0.439394 0.704545
21 LYS LYS LYS 0.438356 0.818182
22 PHE LEU GLU LYS 0.43617 0.74
23 LEU ALA SER LEU GLU SER GLN SER 0.434783 0.87234
24 SER LEU LEU LYS LYS LEU LEU ASP 0.431818 0.93617
25 SER GLN LEU LYS ASN ASN ALA LYS GLU ILE 0.429907 0.88
26 ALA LEU ASP LYS TRP ASP 0.429907 0.672414
27 SER LYS SER MLZ ASP ARG LYS TYR THR LEU 0.425532 0.86
28 ALA SER ASN GLU ASN ALA GLU THR MET 0.421569 0.773585
29 ALA LYS PHE ARG HIS ASP 0.419643 0.639344
30 LEU GLU LEU ASP LYS TRP ALA SER LEU 0.419355 0.741379
31 LYS SER LEU LEU GLN GLN LEU LEU THR GLU 0.419048 0.916667
32 LYS GLN LYS 0.417722 0.840909
33 ALA LYS ALA ALA 0.417722 0.755556
34 LYS SER HIS GLN GLU 0.417476 0.777778
35 ILE SER GLU VAL 0.416667 0.8125
36 LYS ASP LYS 0.415584 0.863636
37 ACE MET GLU GLU VAL ASP 0.413793 0.653846
38 ALA SER ASN GLU ASN ILE GLU THR MET 0.413462 0.759259
39 GLY ALA ASP GLY VAL GLY LYS SER ALA 0.413462 0.895833
40 LYS ARG GLU ALA ILE VAL LYS ALA ASP GLU 0.413462 0.8125
41 THR ASN GLU TYR LYS VAL 0.411765 0.740741
42 GLU GLN TYR LYS PHE TYR SER VAL 0.410714 0.781818
43 LYS NLE LYS 0.410256 0.787234
44 SER LEU LYS ILE ASP ASN GLU ASP 0.409091 0.86
45 ALA ARG THR GLU LEU TYR ARG SER LEU 0.40678 0.716667
46 ASP THR GLU MET GLU GLU VAL ASP 0.406593 0.673077
47 ARG GLU ARG SER PRO THR ARG 0.405941 0.677419
48 GLU LEU ASP LYS TYR ALA SER 0.405405 0.777778
49 LEU LYS SER MLZ LYS GLY GLN SER THR TYR 0.404255 0.807692
50 ASP ALA ASP GLU GLU ASP PHE 0.404255 0.714286
51 PRO LEU SER LYS 0.402174 0.792453
52 ALA GLU THR PHE 0.4 0.734694
53 GLY ALA ASP GLY VAL GLY LYS SER ALA LEU 0.4 0.877551
54 LYS THR LYS LEU LEU 0.4 0.854167
55 PHE GLU ASP LEU ARG LEU LEU SER PHE 0.4 0.724138
Similar Ligands (3D)
Ligand no: 1; Ligand: ALA LYS GLU LYS SER 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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