Receptor
PDB id Resolution Class Description Source Keywords
5URV 2.2 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF FRIZZLED 7 CRD IN COMPLEX WITH C24 FATT HOMO SAPIENS FRIZZLED 7 CRD IMMUNE SYSTEM
Ref.: UNSATURATED FATTY ACYL RECOGNITION BY FRIZZLED RECE MEDIATES DIMERIZATION UPON WNT LIGAND BINDING. PROC. NATL. ACAD. SCI. V. 114 4147 2017 U.S.A.
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
1PG B:204;
B:202;
B:203;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
252.305 C11 H24 O6 COCCO...
SO4 A:205;
B:208;
B:209;
B:205;
B:207;
A:203;
A:204;
B:206;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
NAG A:202;
B:201;
Invalid;
Invalid;
none;
none;
submit data
221.208 C8 H15 N O6 CC(=O...
NER A:201;
Valid;
none;
submit data
366.621 C24 H46 O2 CCCCC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5URV 2.2 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF FRIZZLED 7 CRD IN COMPLEX WITH C24 FATT HOMO SAPIENS FRIZZLED 7 CRD IMMUNE SYSTEM
Ref.: UNSATURATED FATTY ACYL RECOGNITION BY FRIZZLED RECE MEDIATES DIMERIZATION UPON WNT LIGAND BINDING. PROC. NATL. ACAD. SCI. V. 114 4147 2017 U.S.A.
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 5URV - NER C24 H46 O2 CCCCCCCCC=....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1068 families.
1 5URV - NER C24 H46 O2 CCCCCCCCC=....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 922 families.
1 5URZ - BOG C14 H28 O6 CCCCCCCCO[....
2 5URY - PAM C16 H30 O2 CCCCCCC=C/....
3 5URV - NER C24 H46 O2 CCCCCCCCC=....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: NER; Similar ligands found: 51
No: Ligand ECFP6 Tc MDL keys Tc
1 NER 1 1
2 OLA 1 1
3 ELA 1 1
4 PAM 0.939394 1
5 VCA 0.939394 1
6 MYZ 0.852941 0.954545
7 EIC 0.725 0.956522
8 STE 0.71875 0.954545
9 MYR 0.71875 0.954545
10 F23 0.71875 0.954545
11 DAO 0.71875 0.954545
12 11A 0.71875 0.954545
13 TDA 0.71875 0.954545
14 KNA 0.71875 0.954545
15 F15 0.71875 0.954545
16 DKA 0.71875 0.954545
17 DCR 0.71875 0.954545
18 PLM 0.71875 0.954545
19 OCA 0.6875 0.954545
20 ODD 0.675 0.956522
21 RCL 0.625 0.88
22 LNL 0.613636 0.869565
23 SHV 0.606061 0.909091
24 KTC 0.605263 0.84
25 3X1 0.564103 0.863636
26 ODT 0.555556 0.826087
27 T25 0.54717 0.709677
28 AZ1 0.53125 0.615385
29 6NA 0.529412 0.863636
30 10Y 0.529412 0.645161
31 10X 0.529412 0.645161
32 243 0.519231 0.846154
33 OLC 0.519231 0.617647
34 OLB 0.519231 0.617647
35 MVC 0.490566 0.617647
36 ACD 0.488889 0.956522
37 VA 0.478261 0.692308
38 3LA 0.47619 0.769231
39 78N 0.471698 0.617647
40 78M 0.471698 0.617647
41 EOD 0.468085 0.677419
42 MPG 0.45283 0.617647
43 14V 0.444444 0.714286
44 LEA 0.441176 0.772727
45 T24 0.438596 0.769231
46 BRC 0.435897 0.64
47 14U 0.431818 0.678571
48 M12 0.428571 0.833333
49 UNA 0.421053 0.636364
50 8YP 0.421053 0.636364
51 OCD 0.421053 0.636364
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5URV; Ligand: NER; Similar sites found: 4
This union binding pocket(no: 1) in the query (biounit: 5urv.bio1) has 20 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1P0Z FLC 0.02063 0.40167 4.05405
2 5CQG 55C 0.003049 0.44552 4.72973
3 1T9D P22 0.02094 0.40266 5.40541
4 3N29 GOL 0.01377 0.40398 15.5405
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