Receptor
PDB id Resolution Class Description Source Keywords
5FFR 2.2 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF SURFACTANT PROTEIN-A COMPLEXED WITH PHOSPHOCHOLINE RATTUS NORVEGICUS COLLECTIN CARBOHYDRATE BINDING LECTIN LIPID BINDING SUGAPROTEIN
Ref.: ELUCIDATION OF LIPID BINDING SITES ON LUNG SURFACTA PROTEIN A USING X-RAY CRYSTALLOGRAPHY, MUTAGENESIS, MOLECULAR DYNAMICS SIMULATIONS. BIOCHEMISTRY V. 55 3692 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:301;
Part of Protein;
none;
submit data
40.078 Ca [Ca+2...
PC A:302;
Valid;
none;
submit data
184.151 C5 H15 N O4 P C[N+]...
NA A:303;
Part of Protein;
none;
submit data
22.99 Na [Na+]
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3PAK 1.9 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF RAT SURFACTANT PROTEIN A NECK AND CARBO RECOGNITION DOMAIN (NCRD) COMPLEXED WITH MANNOSE RATTUS NORVEGICUS COLLECTIN SUGAR BINDING PROTEIN MANNOSE
Ref.: CRYSTALLOGRAPHIC COMPLEXES OF SURFACTANT PROTEIN A CARBOHYDRATES REVEAL LIGAND-INDUCED CONFORMATIONAL J.BIOL.CHEM. V. 286 757 2011
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 3PAK - MAN C6 H12 O6 C([C@@H]1[....
2 5FFR - PC C5 H15 N O4 P C[N+](C)(C....
3 3PAQ - MMA C7 H14 O6 CO[C@@H]1[....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1205 families.
1 3PAK - MAN C6 H12 O6 C([C@@H]1[....
2 5FFR - PC C5 H15 N O4 P C[N+](C)(C....
3 3PAQ - MMA C7 H14 O6 CO[C@@H]1[....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 3PAK - MAN C6 H12 O6 C([C@@H]1[....
2 5FFR - PC C5 H15 N O4 P C[N+](C)(C....
3 3PAQ - MMA C7 H14 O6 CO[C@@H]1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PC; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 PC 1 1
2 OPE 0.518519 0.680851
3 CH5 0.45 0.84
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3PAK; Ligand: MAN; Similar sites found with APoc: 1
This union binding pocket(no: 1) in the query (biounit: 3pak.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 1PWB GLC GLC 47.973
Pocket No.: 2; Query (leader) PDB : 3PAK; Ligand: MAN; 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: 3pak.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3PAK; Ligand: MAN; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 3pak.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback