Receptor
PDB id Resolution Class Description Source Keywords
4C25 2.03 Å EC: 4.1.2.17 L-FUCULOSE 1-PHOSPHATE ALDOLASE STREPTOCOCCUS PNEUMONIAE LYASE FUCOSE PROCESSING
Ref.: STRUCTURAL AND FUNCTIONAL ANALYSIS OF FUCOSE-PROCES ENZYMES FROM STREPTOCOCCUS PNEUMONIAE. J.MOL.BIOL. V. 426 1469 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EDO A:306;
A:307;
A:305;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
SO4 A:304;
Invalid;
none;
submit data
96.063 O4 S [O-]S...
GOL A:308;
Invalid;
none;
submit data
92.094 C3 H8 O3 C(C(C...
13P A:303;
Valid;
none;
submit data
170.058 C3 H7 O6 P C(C(=...
ZN A:301;
Part of Protein;
none;
submit data
65.409 Zn [Zn+2...
NI A:302;
Part of Protein;
none;
submit data
58.693 Ni [Ni+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4C25 2.03 Å EC: 4.1.2.17 L-FUCULOSE 1-PHOSPHATE ALDOLASE STREPTOCOCCUS PNEUMONIAE LYASE FUCOSE PROCESSING
Ref.: STRUCTURAL AND FUNCTIONAL ANALYSIS OF FUCOSE-PROCES ENZYMES FROM STREPTOCOCCUS PNEUMONIAE. J.MOL.BIOL. V. 426 1469 2014
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4C25 - 13P C3 H7 O6 P C(C(=O)COP....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4C25 - 13P C3 H7 O6 P C(C(=O)COP....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4C25 - 13P C3 H7 O6 P C(C(=O)COP....
2 1E47 - 13P C3 H7 O6 P C(C(=O)COP....
3 4FUA Ki = 4 uM PGH C2 H6 N O6 P C(C(=O)NO)....
4 1E48 - 13P C3 H7 O6 P C(C(=O)COP....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 13P; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 13P 1 1
2 PGA 0.5 0.818182
3 HPV 0.4375 0.90625
4 PGH 0.424242 0.622222
5 IBS 0.404255 0.815789
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4C25; Ligand: 13P; 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: 4c25.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4C25; Ligand: 13P; 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: 4c25.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4C25; Ligand: 13P; 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: 4c25.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 4C25; Ligand: 13P; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 4c25.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
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