Receptor
PDB id Resolution Class Description Source Keywords
6D49 1.8 Å NON-ENZYME: IMMUNE CELL SURFACE RECEPTOR IN COMPLEX WITH LIGAND AT 1.80-A RESOL HOMO SAPIENS SIALIC ACID BINDING TRANSMEMBRANE RECEPTOR SIGLEC IMMUNE
Ref.: SMALL MOLECULE BINDING TO ALZHEIMER RISK FACTOR CD3 PROMOTES A BETA PHAGOCYTOSIS. ISCIENCE V. 19 110 2019
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL B:202;
A:201;
B:201;
A:204;
B:203;
A:202;
B:204;
B:205;
A:203;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
FVP B:206;
A:205;
Valid;
Valid;
none;
none;
Kd = 118 uM
972.986 C42 H64 N6 O20 Cc1cc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6D4A 1.75 Å NON-ENZYME: IMMUNE CELL SURFACE RECEPTOR WITH BOUND LIGAND AT 1.75-A RESOLUTION HOMO SAPIENS SIALIC ACID BINDING TRANSMEMBRANE RECEPTOR SIGLEC IMMUNE
Ref.: SMALL MOLECULE BINDING TO ALZHEIMER RISK FACTOR CD3 PROMOTES A BETA PHAGOCYTOSIS. ISCIENCE V. 19 110 2019
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 225 families.
1 6D4A Kd = 118 uM FVP C42 H64 N6 O20 Cc1cc(cc(c....
2 6D49 Kd = 118 uM FVP C42 H64 N6 O20 Cc1cc(cc(c....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 67 families.
1 6D4A Kd = 118 uM FVP C42 H64 N6 O20 Cc1cc(cc(c....
2 6D49 Kd = 118 uM FVP C42 H64 N6 O20 Cc1cc(cc(c....
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 181 families.
1 1O7S - NDG C8 H15 N O6 CC(=O)N[C@....
2 2G5R - NXD C14 H23 N3 O10 CC(=O)N[C@....
3 2HRL - CEQ BGC NGA GAL SIA SIA n/a n/a
4 2DF3 - NAG GAL SIA SIA n/a n/a
5 6D4A Kd = 118 uM FVP C42 H64 N6 O20 Cc1cc(cc(c....
6 6D49 Kd = 118 uM FVP C42 H64 N6 O20 Cc1cc(cc(c....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: FVP; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 FVP 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: FVP; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6D4A; Ligand: FVP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 6d4a.bio2) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 6D4A; Ligand: FVP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 6d4a.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback