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;
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716.966 n/a O=C([...
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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 1443 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 1205 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 1039 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: LEU LYS THR LYS LEU LEU; Similar ligands found: 92
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 ILE LYS LEU GLU THR LYS LYS THR LYS LEU 0.705128 0.918367
4 LEU THR THR LYS LEU THR ASN THR ASN ILE 0.647727 0.88
5 SER LEU LYS LEU MET THR THR VAL 0.588889 0.862745
6 LEU LEU LEU 0.567164 0.711111
7 HIS GLU GLU LEU ALA LYS LEU 0.541176 0.847826
8 LYS LEU VAL GLN LEU LEU THR THR THR 0.537634 0.93617
9 LYS THR LYS 0.526316 0.933333
10 GLY THR LEU SER ASN ARG ALA SER LYS LEU 0.52381 0.934783
11 LYS LEU LYS 0.513158 0.888889
12 PHE GLU ALA LYS LYS LEU VAL 0.511905 0.888889
13 ALA THR LYS ILE ASP ASN LEU ASP 0.509804 0.88
14 HIS LYS LEU VAL GLN LEU LEU THR THR THR 0.495413 0.789474
15 SER LEU LEU LYS LYS LEU LEU ASP 0.494253 0.916667
16 CYS THR GLU LEU LYS LEU ASN ASP TYR 0.482456 0.8
17 ILE LEU ALA LYS PHE LEU HIS THR LEU 0.478992 0.775862
18 CYS THR GLU LEU LYS LEU SER ASP TYR 0.478261 0.8
19 ARG ASP ARG ALA ALA LYS LEU 0.478261 0.784314
20 SER LEU LEU LYS LYS LEU LEU LEU ALA 0.47619 0.934783
21 GLU ALA GLN THR ARG LEU 0.471154 0.826923
22 CYS THR PHE LYS THR LYS THR ASN 0.470588 0.826923
23 TYR GLN SER LYS LEU 0.464646 0.830189
24 THR PHE LYS LYS THR ASN 0.464646 0.843137
25 LYS LYS LYS ALA 0.461538 0.822222
26 ACE CSO ARG ALA THR LYS MET LEU 0.460177 0.703125
27 THR ARG ARG GLU THR GLN LEU 0.46 0.830189
28 LYS SER LEU LEU GLN GLN LEU LEU THR GLU 0.457143 0.9375
29 LYS ASN LEU 0.45679 0.87234
30 ALA ARG THR LYS GLN THR ALA ARG LYS SER 0.454545 0.891304
31 ALA PRO ALA LEU ARG VAL VAL LYS 0.453608 0.784314
32 LYS LYS LYS 0.453333 0.8
33 ASP GLU LEU GLU ILE LYS ALA TYR 0.452174 0.811321
34 ALA ARG LYS LEU ASP 0.451613 0.788462
35 ACE GLN LEU VAL THR SER LEU 0.451613 0.836735
36 ACE VAL LYS GLU SER LEU VAL 0.447917 0.914894
37 ALA LEU LYS ILE ASP ASN LEU ASP 0.446602 0.82
38 ASN SER THR LEU GLN 0.445652 0.816327
39 ARG LEU GLN ARG ARG ARG GLU THR GLN VAL 0.443396 0.830189
40 SER LEU LYS ILE ASP ASN LEU ASP 0.443396 0.843137
41 THR LYS THR ALA THR ILE ASN ALA SER 0.438095 0.86
42 ASP LEU LYS ILE ASP ASN LEU ASP 0.438095 0.82
43 ALA ASP LYS ILE ASP ASN LEU ASP 0.436893 0.82
44 LEU ALA GLY ILE GLY ILE LEU THR VAL 0.435644 0.854167
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 LEU LYS SER MLZ LYS GLY GLN SER THR TYR 0.431579 0.826923
48 LYS LEU THR PRO LEU CYS VAL THR LEU 0.431034 0.762712
49 LYS NVA LYS 0.43038 0.826087
50 LYS VAL ILE THR PHE ILE ASP LEU 0.429825 0.862745
51 LEU GLU LEU ASP LYS TRP ALA SER LEU 0.428571 0.728814
52 ALA ARG THR GLU LEU TYR ARG SER LEU 0.428571 0.733333
53 SER GLN LEU LYS ASN ASN ALA LYS GLU ILE 0.427273 0.862745
54 PHE LEU SER THR LYS 0.427184 0.86
55 LYS GLY PRO PRO ALA ALA LEU THR LEU 0.42623 0.75
56 SER LEU ALA ASN THR VAL ALA THR LEU 0.425743 0.795918
57 GLU THR LEU LEU ASP LEU ASP PHE LEU GLU 0.425532 0.8125
58 LYS NLE LYS 0.425 0.808511
59 LEU GLU LYS ALA ARG GLY SER THR TYR 0.424242 0.737705
60 SER ALA LYS ILE ASP ASN LEU ASP 0.423423 0.843137
61 ACE GLU ALA GLN THR ARG LEU 0.420561 0.811321
62 ALA ARG THR LYS GLN THR ALA ARG 0.42 0.807692
63 SER LEU LYS ILE ASP ASN GLU ASP 0.419643 0.843137
64 LYS ALA THR LYS MLY 0.418605 0.865385
65 ASN LEU LEU GLN LYS LYS 0.416667 0.851064
66 VAL THR THR ASP ILE GLN VAL LYS VAL 0.416667 0.916667
67 PRO LYS THR PRO LYS LYS ALA LYS LYS LEU 0.414634 0.844444
68 MET ABA LEU ARG MET THR ALA VAL MET 0.413793 0.785714
69 GLY ILE ILE ASN THR LEU 0.413043 0.836735
70 LEU ASP GLU GLU THR GLY GLU PHE LEU 0.412281 0.843137
71 GLY ILE LEU GLU PHE VAL PHE THR LEU 0.412281 0.807692
72 VAL ARG SER ARG ARG ABA LEU ARG LEU 0.411765 0.796296
73 ALA LEU LYS ILE ASP ASN MET ASP 0.410714 0.759259
74 LYS ILE LYS 0.409639 0.847826
75 SER LEU LYS ILE ASP ASN MET ASP 0.408696 0.781818
76 THR LYS CYS VAL VAL MET 0.408163 0.88
77 TYR GLU LEU ASP GLU LYS PHE ASP ARG LEU 0.408 0.704918
78 GLY GLY LYS LYS LYS TYR LYS LEU 0.407767 0.792453
79 PHE PRO THR LYS ASP VAL ALA LEU 0.407692 0.737705
80 ARG ARG ALA THR LYS MET NH2 0.407407 0.767857
81 LYS VAL LYS 0.407407 0.866667
82 SER ARG LYS ILE ASP ASN LEU ASP 0.40678 0.77193
83 SER ILE ILE ASN PHE GLU LYS LEU 0.40678 0.811321
84 LYS DAB LYS 0.405063 0.804348
85 SER LEU TYR LEU THR VAL ALA THR LEU 0.40367 0.735849
86 CYS LEU GLY GLY LEU LEU THR MET VAL 0.40367 0.826923
87 SER ILE ILE GLY PHE GLU LYS LEU 0.403361 0.826923
88 GLN PHE LYS ASP ASN VAL ILE LEU LEU 0.403226 0.773585
89 ASN ARG LEU MET LEU THR GLY 0.401869 0.741379
90 GLU ALA THR GLN LEU MET ASN 0.401869 0.82
91 LYS PRO VAL LEU ARG THR ALA 0.401639 0.714286
92 TYR GLN GLU SER THR ASP PHE THR PHE LEU 0.4 0.711538
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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