Receptor
PDB id Resolution Class Description Source Keywords
6QTT 1.51 Å EC: 2.3.2.27 CRYSTAL STRUCTURE OF AN ARABIDOPSIS WD40 DOMAIN IN COMPLEX W TRANSCRIPTION FACTOR HOMOLOG 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(=...
GOL A:703;
 Invalid;
 none;
 submit data
92.094 C3 H8 O3 C(C(C...
ACE GLU LEU LEU MET VAL PRO ASP MET TYR B:28;
 Valid;
 Atoms found LESS than expected: % Diff = 0.154;
 submit data
964.24 n/a S(CCC...
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 LEU LEU MET VAL PRO ASP MET TYR; Similar ligands found: 92
No: Ligand ECFP6 Tc MDL keys Tc
1 ACE GLU LEU LEU MET VAL PRO ASP MET TYR 1 1
2 ASP ASP LEU ASP VAL PRO SER PHE LEU GLN 0.552448 0.823529
3 TYR PRO TYR ASP VAL PRO ASP TYR ALA 0.52518 0.865672
4 GLU PTR LEU GLY LEU ASP VAL PRO VAL 0.525 0.825397
5 THR PRO TYR ASP ILE ASN GLN MET LEU 0.522581 0.926471
6 LEU PRO PRO LEU ASP ILE THR PRO TYR 0.52 0.880597
7 GLN VAL PRO SER ASP PRO TYR ASN TYR 0.510204 0.828571
8 GLU TYR LEU GLY LEU ASP VAL PRO VAL 0.506667 0.921875
9 ILE MET ASP GLN VAL PRO PHE SER VAL 0.50641 0.855072
10 ASN LEU VAL PRO MET VAL ALA ALA VAL 0.496454 0.861538
11 PTR VAL PRO MET LEU 0.496454 0.84507
12 ASN LEU VAL PRO MET VAL ALA VAL VAL 0.496454 0.861538
13 ARG VAL SER PRO SER THR SER TYR THR PRO 0.49635 0.808824
14 GLU GLU ASN ASP PRO ASP TYR 0.496183 0.833333
15 TYR MET PHE PRO ASN ALA PRO TYR LEU 0.49359 0.9
16 THR PRO GLN ASP LEU ASN THR MET LEU 0.493151 0.880597
17 ASN LEU VAL PRO MET VAL ALA THR VAL 0.486301 0.865672
18 GLN VAL PRO LEU ARG PRO MET THR TYR LYS 0.477012 0.851351
19 SER ILE TYR PHE TPO PRO GLU LEU TYR ASP 0.473373 0.75641
20 VAL PRO LEU ARG PRO MET THR TYR 0.471698 0.837838
21 GLN MET PRO THR GLU ASP GLU TYR 0.470968 0.925373
22 ACE GLU HIS PHE ILE VAL PRO ASP LEU TYR 0.465409 0.797101
23 SER PRO ILE VAL PRO SER PHE ASP MET 0.464968 0.857143
24 GLY TYR GLN ASP TYR GLU PRO GLU ALA 0.464286 0.888889
25 ARG MET PHE PRO ASN ALA PRO TYR LEU 0.464286 0.818182
26 ARG ILE PRO SER TYR ARG TYR ARG TYR 0.453947 0.717949
27 ARG PRO GLN VAL PRO LEU ARG PRO MET 0.451613 0.777778
28 ASP PHE GLU GLU ILE PRO GLU GLU TYS 0.449367 0.707317
29 ASN ASP TRP LEU LEU PRO SER TYR 0.446429 0.797297
30 GLN ILE MET TYR ASN TYR PRO ALA MET 0.444444 0.898551
31 ILE SER TYR GLY ASN ASP ALA LEU MET PRO 0.443114 0.9
32 MET LEU LEU SER VAL PRO LEU LEU LEU GLY 0.439716 0.835821
33 THR ASN LEU TYR MET LEU 0.438849 0.716418
34 ASP PHE GLU GLU ILE PRO GLY GLU TYR LEU 0.437126 0.867647
35 TRP GLU TYR ILE PRO ASN VAL 0.437126 0.830986
36 TYR LEU GLU PRO ALA PRO VAL THR ALA 0.435065 0.867647
37 VAL MET ALA PRO ARG THR LEU PHE LEU 0.433735 0.797297
38 ASN LEU VAL PRO GLN VAL ALA THR VAL 0.433333 0.80597
39 ARG PRO MET THR TYR LYS GLY ALA LEU 0.431818 0.851351
40 MET VAL TRP GLY PRO ASP PRO LEU TYR VAL 0.430939 0.9
41 GLU PRO VAL GLU THR THR ASP TYR 0.430464 0.878788
42 ACE ALA PRO GLN VAL STA VAL MET HIS PRO 0.430303 0.84507
43 LEU PRO PHE ASP LYS THR THR ILE MET 0.430303 0.869565
44 GLU PRO GLN ALA PRO TRP MET GLU GLN 0.429448 0.826087
45 PRO PRO THR LEU HIS GLU LEU TYR ASP LEU 0.428571 0.819444
46 GLN LEU SER PRO PHE PRO PHE ASP LEU 0.426752 0.8
47 ILE THR ASP GLN VAL PRO PHE SER VAL 0.425926 0.811594
48 ALA MET ALA PRO ARG THR LEU LEU LEU 0.424837 0.77027
49 SER MET PRO GLU LEU SER PRO VAL LEU 0.424658 0.84058
50 SER ASP PTR MET ASN MET THR PRO 0.421384 0.815789
51 ASP TYR ASN PRO TYR LEU LEU PHE LEU LYS 0.421384 0.842857
52 SER SER GLY LYS VAL PRO LEU SER 0.42069 0.768116
53 PRO MET GLN SER TPO PRO LEU 0.420382 0.763158
54 SER SER GLY LYS VAL PRO LEU 0.41958 0.779412
55 GLN ASN TYR PRO ILE VAL GLN 0.418301 0.893939
56 TYR ASP LEU SEP LEU PRO PHE PRO 0.418182 0.776316
57 LEU PRO PHE ASP ARG THR THR ILE MET 0.417647 0.8
58 ASN PRO ARG ALA MET GLN ALA LEU LEU 0.416667 0.767123
59 ASP LEU PRO PHE 0.416058 0.857143
60 SER SER PHE TYR PRO SEP ALA GLU GLY 0.415094 0.746667
61 ASN TRP SER HIS PRO GLN PHE GLU LYS 0.414966 0.694444
62 ASP ARG VAL GLU LEU ASN ALA PRO ARG GLN 0.412903 0.702703
63 GLY TYR GLU ASN PRO THR TYR LYS PHE PHE 0.411765 0.788732
64 SER LEU ILE PRO TPO PRO ASP LYS 0.411392 0.714286
65 PHE GLU ALA ILE PRO ALA GLU TYR LEU 0.411043 0.878788
66 SER ALA GLU PRO VAL PRO LEU GLN LEU 0.410596 0.782609
67 ACE GLY PHE GLY VAL VAL PRO SER PHE TYR 0.410596 0.753623
68 TYR LEU ALA PRO GLY PRO VAL THR ALA 0.410256 0.855072
69 ASN ASP LYS TYR GLU PRO PHE TRP GLU 0.409836 0.763889
70 TYR GLN PHE GLY PRO ASP PHE PRO ILE ALA 0.409357 0.84058
71 MET GLN SER TPO PRO LEU 0.409091 0.76
72 LEU LEU TRP ASN GLY PRO MET GLN VAL 0.408046 0.842857
73 TYR LEU GLU PRO GLY PRO VAL THR ALA 0.407407 0.867647
74 ASP TYR GLU PRO ILE PRO GLU GLU ALA PHE 0.407186 0.852941
75 LYS VAL PRO ARG ASN GLN ASP TRP LEU 0.406593 0.714286
76 ACE ASP PTR ALA GLU PRO MET ASP ALA NH2 0.406061 0.847222
77 LYS LEU TYR GLN ASN PRO THR THR TYR ILE 0.405882 0.805556
78 VAL MET ALA PRO ARG ALA LEU LEU LEU 0.405229 0.75
79 SER ARG ASP HIS SER ARG THR PRO MET 0.404624 0.766234
80 LEU PRO PHE ASP LYS SER THR ILE MET 0.404624 0.857143
81 TYR LEU GLY GLY PRO ASP PHE PRO THR ILE 0.404624 0.830986
82 SER PRO LEU ASP SER LEU TRP TRP ILE 0.402439 0.756757
83 TYR LEU LYS GLU PRO VAL HIS GLY VAL 0.402299 0.84058
84 ARG LEU TYR GLN ASN PRO THR THR TYR ILE 0.402299 0.74359
85 ILE SER PRO ARG THR LEU ASP ALA TRP 0.402174 0.721519
86 ASN LEU VAL PRO THR VAL ALA THR VAL 0.401361 0.80597
87 ALA LEU MET PRO GLY GLN PHE PHE VAL 0.401235 0.863636
88 ASP PHE GLU GLU ILE PRO GLY GLU PTR 0.401163 0.75
89 ACE TYR PRO ILE GLN GLU THR 0.4 0.863636
90 HIS SER ILE THR TYR LEU LEU PRO VAL 0.4 0.783784
91 ASN LEU VAL PRO SER VAL ALA THR VAL 0.4 0.782609
92 MET TYR TRP TYR PRO TYR 0.4 0.867647
Similar Ligands (3D)
Ligand no: 1; Ligand: ACE GLU LEU LEU MET VAL PRO ASP MET 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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