Receptor
PDB id Resolution Class Description Source Keywords
4J79 1.56 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF BETA'-COP/PEDVSPIKE COMPLEX SACCHAROMYCES CEREVISIAE SEC27 BETA PROPELLER DOMAIN ER RETRIEVAL SIGNAL PROTEIN T
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
GLU LYS VAL HIS VAL GLN B:1;
 Valid;
 none;
 submit data
738.844 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: GLU LYS VAL HIS VAL GLN; Similar ligands found: 72
No: Ligand ECFP6 Tc MDL keys Tc
1 GLU LYS VAL HIS VAL GLN 1 1
2 LYS SER HIS GLN GLU 0.601852 0.854545
3 HIS LYS LEU VAL GLN LEU LEU THR THR THR 0.576271 0.877193
4 LYS HIS LYS 0.556701 0.92
5 GLY HIS LYS ILE LEU HIS ARG LEU LEU GLN 0.539062 0.847458
6 ILE LEU MET GLU HIS ILE HIS LYS LEU 0.515625 0.877193
7 ARG ARG GLU VAL HIS THR TYR TYR 0.511111 0.742424
8 HIS LYS ILE LEU HIS ARG LEU LEU GLN GLU 0.5 0.862069
9 GLU LEU PRO PRO VAL LYS ILE HIS CYS 0.490066 0.819672
10 SER HIS VAL ALA VAL GLU ASN ALA LEU 0.488189 0.824561
11 GLN GLY HIS GLY GLU 0.477064 0.901961
12 HIS LYS ILE LEU HIS ARG LEU LEU GLN ASP 0.475177 0.847458
13 HIS MET THR GLU VAL VAL ARG HIS CYS 0.471429 0.731343
14 GLU GLN TYR LYS PHE TYR SER VAL 0.468254 0.704918
15 LYS ILE LEU HIS ARG LEU LEU GLN ASP 0.464286 0.862069
16 SER HIS LYS ILE ASP ASN LEU ASP 0.462687 0.862069
17 ILE LEU ALA LYS PHE LEU HIS GLU LEU 0.462687 0.925926
18 ILE LEU LYS GLU PRO VAL HIS GLY VAL 0.458904 0.847458
19 HIS SER LYS LYS LYS CYS ASP GLU LEU 0.457364 0.862069
20 ALA LYS ARG HIS ARG LYS VAL LEU ARG ASP 0.454545 0.839286
21 ARG HIS ARG MLZ VAL LEU ARG ASP ASN TYR 0.450331 0.724638
22 LYS ILE LEU HIS ARG LEU LEU GLN ASP SER 0.44898 0.819672
23 GLN ALA SER GLN GLU VAL LYS ASN TRP 0.447552 0.830508
24 ARG HIS ARG MLY VAL LEU ARG ASP ASN 0.446043 0.757576
25 HIS VAL ALA VAL GLU ASN ALA LEU 0.444444 0.849057
26 ACE SER HIS VAL ALA VAL GLU ASN ALA LEU 0.442748 0.810345
27 ALA HIS ALA LYS ALA 0.442478 0.92
28 ILE LEU ALA LYS PHE LEU HIS THR LEU 0.442029 0.830508
29 ARG ARG LYS TRP ARG ARG TRP HIS LEU 0.442029 0.803279
30 ALA LYS PHE ARG HIS ASP 0.44186 0.827586
31 VAL GLU GLU ASP HIS VAL ALA HIS ALA 0.440945 0.884615
32 SER ILE ILE GLN PHE GLU HIS LEU 0.440298 0.813559
33 HIS MET THR GLU VAL VAL ARG ARG CYS 0.438849 0.742424
34 ALA LYS ARG HIS ARG MLZ VAL LEU ARG ASP 0.437956 0.770492
35 GLN PHE LYS ASP ASN VAL ILE LEU LEU 0.437956 0.767857
36 ALA SER ASN GLU HIS MET GLU THR MET 0.435115 0.758065
37 PHE SER GLN HIS LYS THR SER TPO ILE 0.433333 0.695652
38 LYS LEU VAL GLN LEU LEU THR THR THR 0.431034 0.684211
39 GLU GLN ASP LYS TRP ALA SER 0.430657 0.793103
40 VAL VAL SER HIS PHE ASN ASP 0.429688 0.793103
41 ARG ARG LYS TRP CIR ARG TRP HIS LEU 0.429577 0.790323
42 SER LEU ASN TYR ILE ILE LYS VAL LYS GLU 0.428571 0.709677
43 GLN ALA SER GLN ASP VAL LYS ASN TRP 0.427586 0.830508
44 LYS VAL LYS 0.427083 0.78
45 TYR LEU LYS GLU PRO VAL HIS GLY VAL 0.425806 0.78125
46 ILE GLU GLU ALA LEU GLN ILE ILE HIS SER 0.423358 0.872727
47 LYS GLN TRP LEU VAL TRP LEU PHE LEU 0.422535 0.872727
48 GLU GLU ASN LEU LEU ASP PHE VAL ARG PHE 0.421429 0.693548
49 LYS GLN LYS 0.418367 0.74
50 ARG HIS ARG MLY VAL LEU ARG ASP TYR 0.416107 0.704225
51 ALA HIS HIS 0.414141 0.803922
52 GLU LEU PRO LEU VAL LYS ILE 0.413534 0.762712
53 GLU ILE ILE ASN PHE GLU LYS LEU 0.413534 0.781818
54 VAL LEU HIS ASP ASP LEU LEU GLU ALA 0.413223 0.849057
55 GLU ALA ASP LYS TRP GLN SER 0.413043 0.793103
56 ALA LYS ARG HIS ARG MLY VAL LEU ARG ASP 0.412587 0.734375
57 PHE ASN GLU LEU SER HIS LEU 0.411765 0.839286
58 LYS GLY GLY ALA ALY ARG HIS ARG 0.411348 0.830508
59 ALA VAL TYR ASP GLY ARG GLU HIS THR VAL 0.410596 0.742424
60 GLY SER HIS LEU GLU VAL GLN GLY TYR TRP 0.409938 0.765625
61 ILE LEU GLY LYS PHE LEU HIS ARG LEU 0.409722 0.833333
62 VAL THR THR ASP ILE GLN VAL LYS VAL 0.408 0.672414
63 THR ASP HIS GLY ALA GLU 0.406504 0.810345
64 ASP ARG VAL TYR ILE HIS PRO PHE 0.405594 0.765625
65 GLU LEU ASP HIS TRP ALA SER 0.404255 0.79661
66 LYS ARG GLU ALA ILE VAL LYS ALA ASP GLU 0.403226 0.754717
67 GLU ASN ASP LYS TRP ALA SER 0.402878 0.779661
68 ALA ASN GLY GLY ALA SER GLY GLN VAL LYS 0.401515 0.689655
69 GLU LEU GLU LYS TRP ALA SER 0.40146 0.842105
70 GLY LYS ILE SER LYS HIS TRP THR GLY ILE 0.401274 0.777778
71 ALA ILE HIS 0.4 0.807692
72 GLN ILE LYS VAL ARG VAL ASP MET VAL 0.4 0.66129
Similar Ligands (3D)
Ligand no: 1; Ligand: GLU LYS VAL HIS VAL GLN; 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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