Receptor
PDB id Resolution Class Description Source Keywords
1WRA 2 Å EC: 3.1.4.38 CRYSTAL STRUCTURE OF PHOSPHORYLCHOLINE ESTERASE DOMAIN OF THE VIRULENCE FACTOR CHOLINE BINDING PROTEIN E FROM S TREPTOCOCCUS PNEUMONIAE STREPTOCOCCUS PNEUMONIAE R6 PHOSPHOCHOLINE IRON ESTERASE CHOLINE BINDING DOMAIN STREPTOCOCCUS PNEUM METALLO LACTAMASE PCE CBPE HYDROLASE
Ref.: CRYSTAL STRUCTURE OF PHOSPHORYLCHOLINE ESTERASE DOMAIN OF THE VIRULENCE FACTOR CHOLINE-BINDING PROTEIN E FROM STREPTOCOCCUS PNEUMONIAE: NEW STRUCTURAL FEATURES AMONG THE METALLO-BETA-LACTAMASE SUPERFAMILY J.BIOL.CHEM. V. 280 28591 20
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:403;
A:404;
B:403;
B:404;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
40.078 Ca [Ca+2...
FE A:401;
A:402;
B:401;
B:402;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
55.845 Fe [Fe+3...
MPD A:502;
A:503;
A:504;
A:505;
A:506;
A:507;
B:1502;
B:1503;
B:1504;
B:1505;
B:1506;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
118.174 C6 H14 O2 C[C@@...
PC A:501;
B:501;
Valid;
Valid;
none;
none;
submit data
184.151 C5 H15 N O4 P C[N+]...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1WRA 2 Å EC: 3.1.4.38 CRYSTAL STRUCTURE OF PHOSPHORYLCHOLINE ESTERASE DOMAIN OF THE VIRULENCE FACTOR CHOLINE BINDING PROTEIN E FROM S TREPTOCOCCUS PNEUMONIAE STREPTOCOCCUS PNEUMONIAE R6 PHOSPHOCHOLINE IRON ESTERASE CHOLINE BINDING DOMAIN STREPTOCOCCUS PNEUM METALLO LACTAMASE PCE CBPE HYDROLASE
Ref.: CRYSTAL STRUCTURE OF PHOSPHORYLCHOLINE ESTERASE DOMAIN OF THE VIRULENCE FACTOR CHOLINE-BINDING PROTEIN E FROM STREPTOCOCCUS PNEUMONIAE: NEW STRUCTURAL FEATURES AMONG THE METALLO-BETA-LACTAMASE SUPERFAMILY J.BIOL.CHEM. V. 280 28591 20
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1WRA - PC C5 H15 N O4 P C[N+](C)(C....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1WRA - PC C5 H15 N O4 P C[N+](C)(C....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1WRA - PC C5 H15 N O4 P C[N+](C)(C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PC; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 PC 1 1
2 OPE 0.518519 0.680851
3 CH5 0.45 0.84
4 KVV 0.413793 0.804348
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1WRA; 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: 1wra.bio2) has 10 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1WRA; 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: 2) in the query (biounit: 1wra.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1WRA; 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: 3) in the query (biounit: 1wra.bio3) has 11 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1WRA; 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: 4) in the query (biounit: 1wra.bio3) has 11 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback