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([...
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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: GLU LYS VAL HIS VAL GLN; Similar ligands found: 61
No: Ligand ECFP6 Tc MDL keys Tc
1 GLU LYS VAL HIS VAL GLN 1 1
2 LYS SER HIS GLN GLU 0.615385 0.836364
3 HIS LYS LEU VAL GLN LEU LEU THR THR THR 0.584071 0.875
4 LYS HIS LYS 0.55914 0.897959
5 GLY HIS LYS ILE LEU HIS ARG LEU LEU GLN 0.524194 0.830508
6 SER HIS VAL ALA VAL GLU ASN ALA LEU 0.508197 0.807018
7 HIS LYS ILE LEU HIS ARG LEU LEU GLN GLU 0.503704 0.844828
8 ALA LYS ARG HIS ARG LYS VAL LEU ARG ASP 0.5 0.844828
9 ILE LEU MET GLU HIS ILE HIS LYS LEU 0.496063 0.857143
10 ALA LYS ARG HIS ARG MLZ VAL LEU ARG ASP 0.492063 0.754098
11 GLN GLY HIS GLY GLU 0.481132 0.882353
12 GLU LEU PRO PRO VAL LYS ILE HIS CYS 0.47619 0.786885
13 HIS LYS ILE LEU HIS ARG LEU LEU GLN ASP 0.474453 0.830508
14 ALA LYS ARG HIS ARG MLY VAL LEU ARG ASP 0.472441 0.753846
15 LYS GLY GLY ALA ALY ARG HIS ARG LYS VAL 0.471545 0.844828
16 HIS VAL ALA VAL GLU ASN ALA LEU 0.471074 0.865385
17 ACE SER HIS VAL ALA VAL GLU ASN ALA LEU 0.465116 0.793103
18 ARG HIS ARG MLY VAL LEU ARG ASP ASN 0.458647 0.742424
19 ILE LEU ALA LYS PHE LEU HIS GLU LEU 0.454545 0.90566
20 ALA LYS PHE ARG HIS ASP 0.45082 0.810345
21 GLU GLN TYR LYS PHE TYR SER VAL 0.45082 0.688525
22 ARG ARG LYS TRP ARG ARG TRP HIS LEU 0.449612 0.786885
23 ALA SER ASN GLU HIS MET GLU THR MET 0.448819 0.741935
24 GLN ALA SER GLN GLU VAL LYS ASN TRP 0.448529 0.813559
25 SER HIS LYS ILE ASP ASN LEU ASP 0.44697 0.844828
26 ARG HIS ARG MLZ VAL LEU ARG ASP ASN TYR 0.445205 0.710145
27 LYS ILE LEU HIS ARG LEU LEU GLN ASP SER 0.440559 0.803279
28 ALA HIS ALA LYS ALA 0.440367 0.897959
29 LYS VAL LYS 0.43956 0.755102
30 PHE ASN GLU LEU SER HIS LEU 0.438596 0.803571
31 PHE SER GLN HIS LYS THR SER TPO ILE 0.438356 0.681159
32 LYS ILE LEU HIS ARG LEU LEU GLN ASP 0.4375 0.842105
33 TYR LEU LYS GLU PRO VAL HIS GLY VAL 0.436242 0.75
34 GLY SER HIS LEU GLU VAL GLN GLY TYR TRP 0.435065 0.75
35 ILE LEU ALA LYS PHE LEU HIS THR LEU 0.433824 0.810345
36 HIS SER LYS LYS LYS CYS ASP GLU LEU 0.433071 0.827586
37 VAL VAL SER HIS PHE ASN ASP 0.432 0.775862
38 ALA HIS HIS 0.431579 0.8
39 ILE LEU LYS GLU PRO VAL HIS GLY VAL 0.431507 0.813559
40 LYS LEU VAL GLN LEU LEU THR THR THR 0.428571 0.678571
41 ASP ALA GLU PHE ARG HIS ASP 0.424 0.793103
42 SER HIS MET ALA GLU ILE 0.424 0.737705
43 ARG HIS ARG MLY VAL LEU ARG ASP TYR 0.423611 0.690141
44 SER LEU ASN TYR ILE ILE LYS VAL LYS GLU 0.423358 0.693548
45 LYS SER LEU LEU GLN GLN LEU LEU THR GLU 0.422414 0.672414
46 GLU LEU ASP HIS TRP ALA SER 0.422222 0.762712
47 GLU GLU ASN LEU LEU ASP PHE VAL ARG PHE 0.422222 0.677419
48 GLU GLN ASP LYS TRP ALA SER 0.419847 0.775862
49 ARG ARG ARG TRP HIS ARG TRP ARG LEU 0.418605 0.770492
50 ALA PRO ALA LEU ARG VAL VAL LYS 0.418182 0.696429
51 GLN ALA SER GLN ASP VAL LYS ASN TRP 0.417266 0.813559
52 VAL LEU HIS ASP ASP LEU LEU GLU ALA 0.415254 0.846154
53 LYS GLN LYS 0.414894 0.734694
54 LYS GLY GLY ALA ALY ARG HIS ARG 0.413534 0.813559
55 GLU ALA ASP LYS TRP GLN SER 0.409091 0.775862
56 GLN PHE LYS ASP ASN VAL ILE LEU LEU 0.407407 0.763636
57 THR ASN GLU TYR LYS VAL 0.40678 0.763636
58 GLU VAL ALA PRO PRO GLU TYR HIS ARG LYS 0.406061 0.7
59 TYR HIS SEP VAL VAL ARG TYR ALA 0.402778 0.630137
60 ALA ILE HIS 0.401961 0.803922
61 GLU ILE ILE ASN PHE GLU LYS LEU 0.4 0.777778
Similar Binding Sites (Proteins are less than 50% similar to leader)
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