Receptor
PDB id Resolution Class Description Source Keywords
4J81 1.75 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF BETA'-COP/INSIG-1 COMPLEX SACCHAROMYCES CEREVISIAE BETA PROPELLER DOMAIN DILYSINE MOTIF COPI ER RETRIEVAL PTRANSPORT
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
LYS PRO HIS SER ASP C:1;
D:1;
Valid;
Valid;
none;
none;
submit data
582.615 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: LYS PRO HIS SER ASP; Similar ligands found: 78
No: Ligand ECFP6 Tc MDL keys Tc
1 LYS PRO HIS SER ASP 1 1
2 LYS ARG ARG ARG HIS PRO SER GLY 0.550388 0.892308
3 LYS TYR TYR SER ILE ILE PRO HIS SER ILE 0.532847 0.84058
4 TYR TYR SER ILE ILE PRO HIS SER ILE 0.532847 0.84058
5 LYS PRO ILE VAL VAL LEU HIS GLY TYR 0.527397 0.782609
6 SER ARG ASP HIS SER ARG THR PRO MET 0.520548 0.808219
7 LYS PRO LYS 0.52 0.745763
8 LYS ARG ARG ARG HIS PRO SER 0.515385 0.846154
9 SER ASN TRP SER HIS PRO GLN PHE GLU LYS 0.513158 0.90625
10 GLY SER ASP PRO TRP LYS 0.507692 0.919355
11 GLU ALA ASP PRO THR GLY HIS SER TYR 0.506667 0.893939
12 GLY SER ASP PRO PHE LYS 0.504065 0.916667
13 HIS HIS ALA SER PRO ARG LYS 0.5 0.820895
14 GLU LYS PRO SER SER SER 0.491228 0.915254
15 PHE SER HIS PRO GLN ASN THR 0.489209 0.921875
16 THR LYS PRO ARG 0.486239 0.723077
17 ARG ALA HIS SEP SER PRO ALA SER LEU GLN 0.482269 0.828571
18 SER HIS SEP SER PRO ALA SER LEU 0.482269 0.814286
19 PRO PRO HIS SER TPO 0.480916 0.852941
20 LYS HIS LYS 0.480769 0.745763
21 TYR TYR SER ILE ALA PRO HIS SER ILE 0.475862 0.814286
22 LYS SER HIS GLN GLU 0.475 0.85
23 ASN TRP SER HIS PRO GLN PHE GLU LYS 0.47482 0.83871
24 HIS ALA TPO PRO PRO LYS LYS GLU ALA ASP 0.470588 0.797101
25 DVA DPR GLY DSN DGN DHI DTY DAS DSN 0.469799 0.867647
26 SER HIS SEP SER PRO ALA SER LEU GLN 0.466667 0.816901
27 TYR LEU LYS GLU PRO VAL HIS GLY VAL 0.457516 0.794118
28 ALA ARG SER HIS SEP TYR PRO ALA 0.457516 0.730769
29 TYR PRO SER LYS PRO ASP ASN PRO GLY GLU 0.457364 0.888889
30 SER PRO LEU ASP SER LEU TRP TRP ILE 0.455172 0.838235
31 ILE LEU LYS GLU PRO VAL HIS GLY VAL 0.453333 0.828125
32 DHI PRO PHE HIS LEU LEU VAL TYR 0.451613 0.753623
33 ARG SER HIS SEP SER PRO ALA SER LEU GLN 0.449367 0.773333
34 ABA SER LEU TRP ASN GLY PRO HIS LEU 0.448718 0.867647
35 GLY HIS ARG PRO 0.447154 0.815385
36 PHE PRO ARG PRO TRP LEU HIS GLY LEU 0.441718 0.739726
37 SER HIS PRO ARG PRO ILE ARG VAL 0.441379 0.828571
38 SER PRO HIS ASN PRO ILE SER ASP VAL ASP 0.44 0.846154
39 ACE PHE HIS PRO ALA NH2 0.436508 0.765625
40 ALA LEU PRO HIS ALA ILE LEU ARG LEU 0.436242 0.742857
41 VAL VAL SER HIS PHE ASN ASP 0.435115 0.738462
42 TYR PRO ASN VAL ASN ILE HIS ASN PHE 0.432258 0.788732
43 PHE SER ASP PRO TRP GLY GLY 0.431507 0.904762
44 ALA LYS PHE ARG HIS ASP 0.430769 0.691176
45 PHE CYS HIS PRO GLN ASN THR NH2 0.430657 0.904762
46 PHE ASN GLU LEU SER HIS LEU 0.429752 0.761905
47 VAL TYR PRO IAS HIS ALA 0.426573 0.791045
48 GLY SER SER HIS HIS HIS HIS HIS 0.423423 0.803279
49 MET HIS PRO ALA GLN THR SER GLN TRP 0.423313 0.830986
50 LYS PRO PHE PTR VAL ASN VAL GLU PHE 0.423077 0.697368
51 HIS PRO 0.423077 0.813559
52 PRO HIS PRO PHE HIS STA VAL ILE HIS LYS 0.421053 0.835821
53 ARG ILE ILE PRO ARG HIS LEU GLN LEU 0.419355 0.771429
54 ASP ARG VAL TYR ILE HIS PRO PHE 0.418182 0.723684
55 LEU PRO PHE ASP LYS SER THR ILE MET 0.417722 0.785714
56 LYS PRO PHE PTR VAL ASN VAL NH2 0.416107 0.684211
57 HIS SER LEU PHE HIS PUK THR PRO 0.415094 0.865672
58 ACE ASP PRO PRO LEU HIS SER TPO ALA NH2 0.414966 0.802817
59 GLY ALA ARG ALA HIS SER SER 0.414062 0.75
60 LYS PRO ILE VAL GLN TYR ASP ASN PHE 0.414013 0.760563
61 GLY TYR GLN ASP TYR GLU PRO GLU ALA 0.413534 0.78125
62 LYS PRO VAL LEU ARG THR ALA 0.413043 0.742857
63 GLU LEU PRO PRO VAL LYS ILE HIS CYS 0.4125 0.830769
64 ARG LEU TYR HIS SEP LEU PRO ALA 0.411392 0.7
65 ALA ASN SER ARG TRP PRO ALY SER ILE ILE 0.410596 0.808824
66 HIS SER ILE THR TYR LEU LEU PRO VAL 0.410256 0.84058
67 ACE CYS HIS PRO GLN ASN THR NH2 0.408451 0.876923
68 ALA HIS HIS 0.407767 0.639344
69 PRO LYS LEU GLU PRO TRP LYS HIS PRO 0.407186 0.80303
70 PHE LEU PRO SER ASP PHE PHE PRO SER VAL 0.407143 0.848485
71 SER THR GLY GLY VAL M3L LYS PRO HIS ARG 0.406977 0.763158
72 LEU PRO PHE GLU LYS SER THR VAL MET 0.406452 0.797101
73 HIS SER LYS LYS LYS CYS ASP GLU LEU 0.404412 0.8125
74 ASN ASP TRP LEU LEU PRO SER TYR 0.402516 0.816901
75 ALA TRP ARG HIS PRO GLN PHE GLY GLY 0.401198 0.757143
76 GLU VAL ALA PRO PRO GLU TYR HIS ARG LYS 0.401163 0.743243
77 BOC HIS PRO PHE HIS STA LEU PHE 0.4 0.788732
78 LEU SER SER PRO VAL THR LYS SER PHE 0.4 0.830769
Similar Binding Sites (Proteins are less than 50% similar to leader)
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