Receptor
PDB id Resolution Class Description Source Keywords
4J8B 1.88 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF ALPHA-COP/EMP47P COMPLEX SCHIZOSACCHAROMYCES POMBE 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
LEU LYS THR LYS LEU LEU B:1;
 Valid;
 none;
 submit data
716.966 n/a O=C([...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4J8B 1.88 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF ALPHA-COP/EMP47P COMPLEX SCHIZOSACCHAROMYCES POMBE BETA PROPELLER DOMAIN DILYSINE MOTIF ER RETRIEVAL PROTEINTRANSPORT
Ref.: RULES FOR THE RECOGNITION OF DILYSINE RETRIEVAL MOT COATOMER. EMBO J. V. 32 926 2013
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 4J8B - LEU LYS THR LYS LEU LEU n/a n/a
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 4J8B - LEU LYS THR LYS LEU LEU 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: LEU LYS THR LYS LEU LEU; Similar ligands found: 94
No: Ligand ECFP6 Tc MDL keys Tc
1 LEU LYS THR LYS LEU LEU 1 1
2 LYS THR LYS LEU LEU 0.805556 1
3 LEU THR THR LYS LEU THR ASN THR ASN ILE 0.647727 0.88
4 SER LEU LYS LEU MET THR THR VAL 0.588889 0.862745
5 LEU LEU LEU 0.567164 0.711111
6 LYS LEU VAL GLN LEU LEU THR THR THR 0.537634 0.93617
7 LYS THR LYS 0.526316 0.933333
8 LYS LEU LYS 0.513158 0.888889
9 ALA THR LYS ILE ASP ASN LEU ASP 0.509804 0.88
10 HIS LYS LEU VAL GLN LEU LEU THR THR THR 0.495413 0.789474
11 SER LEU LEU LYS LYS LEU LEU ASP 0.494253 0.916667
12 HIS GLU GLU LEU ALA LYS LEU 0.483146 0.847826
13 GLY THR LEU SER ASN ARG ALA SER LYS LEU 0.482759 0.934783
14 ALA GLU LYS ASP GLU LEU 0.482759 0.891304
15 CYS THR GLU LEU LYS LEU ASN ASP TYR 0.482456 0.8
16 ILE LEU ALA LYS PHE LEU HIS THR LEU 0.478992 0.775862
17 CYS THR GLU LEU LYS LEU SER ASP TYR 0.478261 0.8
18 ILE LEU ASN ALA MET ILE THR LYS ILE 0.477064 0.830189
19 SER LEU LEU LYS LYS LEU LEU LEU ALA 0.47619 0.934783
20 GLU ALA GLN THR ARG LEU 0.471154 0.826923
21 CYS THR PHE LYS THR LYS THR ASN 0.470588 0.826923
22 TYR GLN SER LYS LEU 0.464646 0.830189
23 THR PHE LYS LYS THR ASN 0.464646 0.843137
24 LYS LYS LYS ALA 0.461538 0.822222
25 ACE CSO ARG ALA THR LYS MET LEU 0.460177 0.703125
26 THR ARG ARG GLU THR GLN LEU 0.46 0.830189
27 LYS SER LEU LEU GLN GLN LEU LEU THR GLU 0.457143 0.9375
28 LYS ASN LEU 0.45679 0.87234
29 ALA ARG THR LYS GLN THR ALA ARG LYS SER 0.454545 0.891304
30 LYS LYS LYS 0.453333 0.8
31 ASP GLU LEU GLU ILE LYS ALA TYR 0.452174 0.811321
32 ALA ARG LYS LEU ASP 0.451613 0.788462
33 ACE GLN LEU VAL THR SER LEU 0.451613 0.836735
34 ACE VAL LYS GLU SER LEU VAL 0.447917 0.914894
35 ALA LEU LYS ILE ASP ASN LEU ASP 0.446602 0.82
36 ASN SER THR LEU GLN 0.445652 0.816327
37 ARG LEU GLN ARG ARG ARG GLU THR GLN VAL 0.443396 0.830189
38 SER LEU LYS ILE ASP ASN LEU ASP 0.443396 0.843137
39 ASN ARG LEU LEU LEU THR GLY 0.443299 0.796296
40 ASP LEU LYS ILE ASP ASN LEU ASP 0.438095 0.82
41 THR LYS THR ALA THR ILE ASN ALA SER 0.438095 0.86
42 ALA ASP LYS ILE ASP ASN LEU ASP 0.436893 0.82
43 LEU ALA GLY ILE GLY ILE LEU THR VAL 0.435644 0.854167
44 SER LEU LEU LYS LYS LEU LEU LEU ALA PRO 0.434343 0.728814
45 SER ASP LYS ILE ASP ASN LEU ASP 0.433962 0.843137
46 SER GLU LEU GLU ILE LYS ARG TYR 0.433333 0.75
47 PHE LEU GLU LYS 0.43299 0.795918
48 LEU LYS SER MLZ LYS GLY GLN SER THR TYR 0.431579 0.826923
49 LYS LEU THR PRO LEU CYS VAL THR LEU 0.431034 0.762712
50 LYS NVA LYS 0.43038 0.826087
51 LYS VAL ILE THR PHE ILE ASP LEU 0.429825 0.862745
52 ALA ARG THR GLU LEU TYR ARG SER LEU 0.428571 0.733333
53 LEU GLU LEU ASP LYS TRP ALA SER LEU 0.428571 0.728814
54 SER GLN LEU LYS ASN ASN ALA LYS GLU ILE 0.427273 0.862745
55 PHE LEU SER THR LYS 0.427184 0.86
56 ARG ASP ARG ALA ALA LYS LEU 0.427083 0.784314
57 LYS GLY PRO PRO ALA ALA LEU THR LEU 0.42623 0.75
58 SER LEU ALA ASN THR VAL ALA THR LEU 0.425743 0.795918
59 THR LEU ILE ASP LEU THR GLU LEU ILE 0.425743 0.8125
60 LYS NLE LYS 0.425 0.808511
61 LEU GLU LYS ALA ARG GLY SER THR TYR 0.424242 0.737705
62 SER ALA LYS ILE ASP ASN LEU ASP 0.423423 0.843137
63 SER GLY ILE PHE LEU GLU THR SER 0.420561 0.788462
64 ACE GLU ALA GLN THR ARG LEU 0.420561 0.811321
65 ALA ARG THR LYS GLN THR ALA ARG 0.42 0.807692
66 SER LEU LYS ILE ASP ASN GLU ASP 0.419643 0.843137
67 ASN LEU LEU GLN LYS LYS 0.416667 0.851064
68 VAL THR THR ASP ILE GLN VAL LYS VAL 0.416667 0.916667
69 MET ABA LEU ARG MET THR ALA VAL MET 0.413793 0.785714
70 GLY ILE ILE ASN THR LEU 0.413043 0.836735
71 GLY ILE LEU GLU PHE VAL PHE THR LEU 0.412281 0.807692
72 LEU ASP GLU GLU THR GLY GLU PHE LEU 0.412281 0.843137
73 VAL ARG SER ARG ARG ABA LEU ARG LEU 0.411765 0.796296
74 ALA LEU LYS ILE ASP ASN MET ASP 0.410714 0.759259
75 LYS ILE LYS 0.409639 0.847826
76 SER LEU LYS ILE ASP ASN MET ASP 0.408696 0.781818
77 THR LYS CYS VAL VAL MET 0.408163 0.88
78 TYR GLU LEU ASP GLU LYS PHE ASP ARG LEU 0.408 0.704918
79 GLY GLY LYS LYS LYS TYR LYS LEU 0.407767 0.792453
80 PHE PRO THR LYS ASP VAL ALA LEU 0.407692 0.737705
81 ARG ARG ALA THR LYS MET NH2 0.407407 0.767857
82 LYS VAL LYS 0.407407 0.866667
83 SER ILE ILE ASN PHE GLU LYS LEU 0.40678 0.811321
84 SER ARG LYS ILE ASP ASN LEU ASP 0.40678 0.77193
85 LYS DAB LYS 0.405063 0.804348
86 CYS LEU GLY GLY LEU LEU THR MET VAL 0.40367 0.826923
87 SER LEU TYR LEU THR VAL ALA THR LEU 0.40367 0.735849
88 SER ILE ILE GLY PHE GLU LYS LEU 0.403361 0.826923
89 GLN PHE LYS ASP ASN VAL ILE LEU LEU 0.403226 0.773585
90 ASN ARG LEU MET LEU THR GLY 0.401869 0.741379
91 GLU ALA THR GLN LEU MET ASN 0.401869 0.82
92 THR THR ALA PRO SER LEU SER GLY LYS 0.401639 0.737705
93 LYS PRO VAL LEU ARG THR ALA 0.401639 0.714286
94 ILE LEU ASN ALA MET ILE ALA LYS ILE 0.4 0.788462
Similar Ligands (3D)
Ligand no: 1; Ligand: LEU LYS THR LYS LEU LEU; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4J8B; Ligand: LEU LYS THR LYS LEU LEU; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 4j8b.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
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