Receptor
PDB id Resolution Class Description Source Keywords
6QTQ 1.3 Å EC: 2.3.2.27 CRYSTAL STRUCTURE OF AN ARABIDOPSIS WD40 DOMAIN IN COMPLEX W 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
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL A:703;
 Invalid;
 none;
 submit data
92.094 C3 H8 O3 C(C(C...
SO4 A:702;
A:701;
 Invalid;
Invalid;
 none;
none;
 submit data
96.063 O4 S [O-]S...
ACE ARG TYR ALA VAL VAL PRO ASP GLU B:406;
 Valid;
 Atoms found LESS than expected: % Diff = 0.159;
 submit data
688.851 n/a O=C(N...
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 ARG TYR ALA VAL VAL PRO ASP GLU; Similar ligands found: 23
No: Ligand ECFP6 Tc MDL keys Tc
1 ACE ARG TYR ALA VAL VAL PRO ASP GLU 1 1
2 ALA VAL ALA PHE TYR ILE PRO ASP GLN ALA 0.546875 0.833333
3 ALA ILE ALA TYR PHE ILE PRO ASP GLN ALA 0.503817 0.818182
4 ASN ARG PRO VAL TYR ILE PRO ARG PRO PRO 0.493151 0.939394
5 VAL TYR ILE HIS PRO PHE 0.452555 0.823529
6 ARG ILE PRO SER TYR ARG TYR ARG TYR 0.448276 0.847222
7 ARG LYS LYS ARG TYR THR VAL VAL GLY ASN 0.442177 0.753623
8 ILE GLY PRO GLY ARG ALA PHE TYR VAL 0.4375 0.911765
9 ILE GLY PRO GLY ARG ALA PHE TYR THR 0.428571 0.884058
10 ARG VAL ALA GLN LEU GLU GLN VAL TYR ILE 0.428571 0.757576
11 LEU GLN ARG VAL LEU SEP ALA PRO PHE 0.424837 0.76
12 ALA TYR ARG 0.423729 0.774194
13 ILE GLY PRO GLY ARG ALA PHE TYR ALA 0.421384 0.897059
14 ARG VAL ILE PTR PHE VAL PRO LEU ASN ARG 0.42029 0.753425
15 ILE GLY PRO GLY ARG ALA PHE TYR THR ILE 0.419162 0.859155
16 GLY ALA ALA ARG ALA GLU VAL TYR LEU ARG 0.414474 0.735294
17 VAL LYS VAL VAL ALA LYS LYS TYR ARG ASN 0.411765 0.75
18 ASN ALA ARG SER ALA SEP PHE SER GLN GLY 0.410448 0.616438
19 PRO PRO ARG PRO ILE TYR ASN ARG ASN 0.407643 0.871429
20 ALA PRO ASP THR ARG PRO ALA PRO 0.407143 0.814286
21 SER SER TYR ARG ARG PRO VAL GLY ILE 0.405063 0.873239
22 ALA THR ALY ALA ALA ARG ALY SER ALA PRO 0.40411 0.8
23 ASN ALA LEU LEU ARG TYR LEU LEU ASP 0.4 0.724638
Similar Ligands (3D)
Ligand no: 1; Ligand: ACE ARG TYR ALA VAL VAL PRO ASP GLU; 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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