Receptor
PDB id Resolution Class Description Source Keywords
6QTU 1.3 Å EC: 2.3.2.27 CRYSTAL STRUCTURE OF ARABIDOPSIS WD40 DOMAIN IN COMPLEX WITH TRANSCRIPTION FACTOR ARABIDOPSIS THALIANA COMPLEX PLANT PROTEIN
Ref.: PLANT PHOTORECEPTORS AND THEIR SIGNALING COMPONENTS FOR COP1 BINDING VIA VP PEPTIDE MOTIFS. EMBO J. V. 38 02140 2019
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MLI A:702;
A:701;
 Invalid;
Invalid;
 none;
none;
 submit data
102.046 C3 H2 O4 C(C(=...
ACE GLU HIS PHE ILE VAL PRO ASP LEU TYR B:241;
 Valid;
 Atoms found LESS than expected: % Diff = 0.289;
 submit data
822.985 n/a O=C(N...
GOL A:703;
 Invalid;
 none;
 submit data
92.094 C3 H8 O3 C(C(C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6QTS 1.11 Å EC: 2.3.2.27 CRYSTAL STRUCTURE OF A MUTANT ARABIDOPSIS WD40 DOMAIN IN COM A PHOTORECEPTOR ARABIDOPSIS THALIANA COMPLEX PLANT PROTEIN
Ref.: PLANT PHOTORECEPTORS AND THEIR SIGNALING COMPONENTS FOR COP1 BINDING VIA VP PEPTIDE MOTIFS. EMBO J. V. 38 02140 2019
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 6QTT - ACE GLU LEU LEU MET VAL PRO ASP MET TYR n/a n/a
2 6QTQ - ACE ARG TYR ALA VAL VAL PRO ASP GLU n/a n/a
3 6QTX - ACE GLY PHE GLY VAL VAL PRO SER PHE TYR n/a n/a
4 6QTU - ACE GLU HIS PHE ILE VAL PRO ASP LEU TYR n/a n/a
5 6QTS - ACE ARG TYR ALA VAL VAL PRO ASP GLU n/a n/a
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 6QTT - ACE GLU LEU LEU MET VAL PRO ASP MET TYR n/a n/a
2 6QTQ - ACE ARG TYR ALA VAL VAL PRO ASP GLU n/a n/a
3 6QTX - ACE GLY PHE GLY VAL VAL PRO SER PHE TYR n/a n/a
4 6QTU - ACE GLU HIS PHE ILE VAL PRO ASP LEU TYR n/a n/a
5 6QTS - ACE ARG TYR ALA VAL VAL PRO ASP GLU n/a n/a
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 6QTT - ACE GLU LEU LEU MET VAL PRO ASP MET TYR n/a n/a
2 6QTQ - ACE ARG TYR ALA VAL VAL PRO ASP GLU n/a n/a
3 6QTX - ACE GLY PHE GLY VAL VAL PRO SER PHE TYR n/a n/a
4 6QTU - ACE GLU HIS PHE ILE VAL PRO ASP LEU TYR n/a n/a
5 6QTS - ACE ARG TYR ALA VAL VAL PRO ASP GLU n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: ACE GLU HIS PHE ILE VAL PRO ASP LEU TYR; Similar ligands found: 63
No: Ligand ECFP6 Tc MDL keys Tc
1 ACE GLU HIS PHE ILE VAL PRO ASP LEU TYR 1 1
2 ASP ASP LEU ASP VAL PRO SER PHE LEU GLN 0.615385 0.820895
3 LYS TYR TYR SER ILE ILE PRO HIS SER ILE 0.525641 0.830986
4 SER PRO ILE VAL PRO SER PHE ASP MET 0.522293 0.802817
5 TYR PRO ASN VAL ASN ILE HIS ASN PHE 0.509202 0.897059
6 GLN LEU SER PRO PHE PRO PHE ASP LEU 0.484076 0.850746
7 TRP ASP ILE PRO PHE 0.481481 0.885246
8 BOC HIS PRO PHE HIS LOV ILE HIS 0.47929 0.855072
9 TYR TYR SER ILE ILE PRO HIS SER ILE 0.475 0.830986
10 BOC HIS PRO PHE ALA LOV ILE HIS 0.47093 0.855072
11 SER ILE TYR PHE TPO PRO GLU LEU TYR ASP 0.465909 0.730769
12 ACE GLU LEU LEU MET VAL PRO ASP MET TYR 0.465409 0.797101
13 ACE GLY PHE GLY VAL VAL PRO SER PHE TYR 0.460526 0.776119
14 ASP PHE GLU GLU ILE PRO GLU GLU TYS 0.460123 0.703704
15 PRO HIS PRO PHE HIS LAV ILE HIS LYS 0.45977 0.904762
16 HIS PRO PHE 0.459259 0.868852
17 ASN TRP SER HIS PRO GLN PHE GLU LYS 0.456376 0.818182
18 ILE THR ASP GLN VAL PRO PHE SER VAL 0.454545 0.808824
19 HIS SER ILE THR TYR LEU LEU PRO VAL 0.452941 0.857143
20 PHE ASN PHE PRO GLN ILE THR 0.448718 0.835821
21 ASP PHE GLU GLU ILE PRO GLY GLU TYR LEU 0.447674 0.865672
22 TYR TYR SER ILE ALA PRO HIS SER ILE 0.445783 0.805556
23 ACE PHE HIS PRO ALA NH2 0.444444 0.870968
24 TYR PRO TYR ASP VAL PRO ASP TYR ALA 0.444444 0.835821
25 DHI PRO PHE HIS LEU LEU VAL TYR 0.44186 0.878788
26 PRO GLN PTR ILE PTR VAL PRO ALA 0.441718 0.77027
27 LEU PRO PRO LEU ASP ILE THR PRO TYR 0.436364 0.850746
28 ILE MET ASP GLN VAL PRO PHE SER VAL 0.435294 0.774648
29 HIS ILE PHE SER 0.434783 0.721311
30 LEU ASN PHE PRO ILE SER PRO 0.434211 0.865672
31 GLU PTR LEU GLY LEU ASP VAL PRO VAL 0.432836 0.852459
32 LEU PRO PHE ASP LYS THR THR ILE MET 0.432749 0.788732
33 ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU 0.430939 0.695122
34 ARG VAL ILE PTR PHE VAL PRO LEU ASN ARG 0.430464 0.739726
35 ASP LEU PRO PHE 0.429577 0.885246
36 LEU PRO PHE ASP ARG THR THR ILE MET 0.428571 0.75
37 GLU LEU PRO PRO VAL LYS ILE HIS CYS 0.427778 0.90625
38 PHE LEU PRO SER ASP PHE PHE PRO SER VAL 0.427673 0.838235
39 ARG ILE ILE PRO ARG HIS LEU GLN LEU 0.424419 0.852941
40 LEU PRO PHE GLU LEU ARG GLY HIS LEU VAL 0.422222 0.880597
41 PHE SER HIS PRO GLN ASN THR 0.421687 0.838235
42 PIV HIS PRO PHE HIS LPL TYR TYR SER 0.418994 0.777778
43 LYS GLN GLU PRO GLN GLU ILE ASP PHE 0.417647 0.887097
44 GLN VAL PRO SER ASP PRO TYR ASN TYR 0.417178 0.8
45 LEU PRO PHE ASP LYS SER THR ILE MET 0.41573 0.777778
46 ALA LEU TRP GLY PHE VAL PRO VAL LEU 0.414773 0.890625
47 LYS PRO ILE VAL GLN TYR ASP ASN PHE 0.412429 0.855072
48 BOC HIS PRO PHE HIS STA LEU PHE 0.408284 0.857143
49 ARG PRO PRO ILE PHE ILE ARG ARG LEU 0.408284 0.823529
50 ARG GLN PHE GLY PRO ASP TRP ILE VAL ALA 0.408163 0.869565
51 LYS PRO ILE VAL VAL LEU HIS GLY TYR 0.407821 0.909091
52 PHE GLN PRO GLN ASN GLY GLN PHE ILE 0.407186 0.890625
53 PHE ALA PRO GLY PHE PHE PRO TYR LEU 0.404762 0.797101
54 PHE CYS HIS PRO GLN ASN THR NH2 0.404762 0.823529
55 ASP PHE GLU GLU ILE PRO GLY GLU PTR 0.404494 0.77027
56 TYR GLN PHE GLY PRO ASP PHE PRO ILE ALA 0.404494 0.838235
57 PHE GLU ASP ASN PHE VAL PRO 0.403846 0.861538
58 VAL TYR ILE HIS PRO PHE 0.403846 0.892308
59 GLY SER ASP PRO PHE LYS 0.401316 0.761194
60 TYR LEU GLY GLY PRO ASP PHE PRO THR ILE 0.4 0.828571
61 LYS PRO PHE PTR VAL ASN VAL NH2 0.4 0.746667
62 TYR MET ASP PHE ASP ASP ASP ILE PRO PHE 0.4 0.836066
63 SER ASN TRP SER HIS PRO GLN PHE GLU LYS 0.4 0.823529
Similar Ligands (3D)
Ligand no: 1; Ligand: ACE GLU HIS PHE ILE VAL PRO ASP LEU TYR; 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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