Receptor
PDB id Resolution Class Description Source Keywords
4NYT 2.25 Å NON-ENZYME: BINDING L-FICOLIN COMPLEXED TO PHOSPHOCHOLINE HOMO SAPIENS SOLUBLE INNATE IMMUNE RECOGNITION EXTRACELLULAR IMMUNE SYS
Ref.: HUMAN L-FICOLIN RECOGNIZES PHOSPHOCHOLINE MOIETIES PNEUMOCOCCAL TEICHOIC ACID J.IMMUNOL. V. 193 5699 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NAG NAG FUC MAN C:302;
Invalid;
none;
submit data n/a n/a n/a n/a
CA C:306;
A:304;
A:305;
B:301;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
40.078 Ca [Ca+2...
NAG A:302;
Invalid;
none;
submit data
221.208 C8 H15 N O6 CC(=O...
PC A:303;
Valid;
none;
Kd = 3.7 mM
184.151 C5 H15 N O4 P C[N+]...
PO4 C:307;
Invalid;
none;
submit data
94.971 O4 P [O-]P...
ACT C:301;
A:301;
Invalid;
Invalid;
none;
none;
submit data
59.044 C2 H3 O2 CC(=O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4NYT 2.25 Å NON-ENZYME: BINDING L-FICOLIN COMPLEXED TO PHOSPHOCHOLINE HOMO SAPIENS SOLUBLE INNATE IMMUNE RECOGNITION EXTRACELLULAR IMMUNE SYS
Ref.: HUMAN L-FICOLIN RECOGNIZES PHOSPHOCHOLINE MOIETIES PNEUMOCOCCAL TEICHOIC ACID J.IMMUNOL. V. 193 5699 2014
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 510 families.
1 2J0Y - BGC C6 H12 O6 C([C@@H]1[....
2 2J1G - SC2 C5 H9 N O3 S CC(=O)N[C@....
3 4R9J - 3LJ C6 H13 N O8 S C([C@@H]1[....
4 4NYT Kd = 3.7 mM PC C5 H15 N O4 P C[N+](C)(C....
5 2J3U - GLA C6 H12 O6 C([C@@H]1[....
70% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 391 families.
1 2J0Y - BGC C6 H12 O6 C([C@@H]1[....
2 2J1G - SC2 C5 H9 N O3 S CC(=O)N[C@....
3 4R9J - 3LJ C6 H13 N O8 S C([C@@H]1[....
4 4NYT Kd = 3.7 mM PC C5 H15 N O4 P C[N+](C)(C....
5 2J3U - GLA C6 H12 O6 C([C@@H]1[....
6 2JHI - A2G C8 H15 N O6 CC(=O)N[C@....
7 2JHL - SLB C11 H19 N O9 CC(=O)N[C@....
8 2JHK - NAG C8 H15 N O6 CC(=O)N[C@....
50% Homology Family (12)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 4M7F - BM3 C8 H15 N O6 CC(=O)N[C@....
2 2J0Y - BGC C6 H12 O6 C([C@@H]1[....
3 2J1G - SC2 C5 H9 N O3 S CC(=O)N[C@....
4 4R9J - 3LJ C6 H13 N O8 S C([C@@H]1[....
5 4NYT Kd = 3.7 mM PC C5 H15 N O4 P C[N+](C)(C....
6 2J3U - GLA C6 H12 O6 C([C@@H]1[....
7 2J60 - ABE C6 H12 O4 C[C@@H]1[C....
8 2J5Z - GAL C6 H12 O6 C([C@@H]1[....
9 1JC9 - NAG C8 H15 N O6 CC(=O)N[C@....
10 2JHI - A2G C8 H15 N O6 CC(=O)N[C@....
11 2JHL - SLB C11 H19 N O9 CC(=O)N[C@....
12 2JHK - NAG C8 H15 N O6 CC(=O)N[C@....
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 : 4NYT; Ligand: PC; 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: 4nyt.bio1) has 7 residues
No: Leader PDB Ligand Sequence Similarity
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