Receptor
PDB id Resolution Class Description Source Keywords
4CPB 1.57 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF LECA IN COMPLEX WITH A DIVALENT GALACTO 57 ANGSTROM IN MAGNESIUM PSEUDOMONAS AERUGINOSA SUGAR BINDING PROTEIN GALACTOSE BINDING SUGAR BASED INHIBI
Ref.: A LECA LIGAND IDENTIFIED FROM A GALACTOSIDE-CONJUGA INHIBITS HOST CELL INVASION BY PSEUDOMONAS AERUGINO ANGEW.CHEM.INT.ED.ENGL. V. 53 8885 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GAL CN8 B:1123;
A:1123;
D:1124;
C:1123;
 Valid;
Valid;
Valid;
Valid;
 none;
none;
none;
none;
 submit data
412.467 n/a S(c1c...
2PE D:1122;
 Invalid;
 none;
 submit data
414.488 C18 H38 O10 C(COC...
CA A:1122;
D:1123;
B:1122;
C:1122;
 Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
 none;
none;
none;
none;
 submit data
40.078 Ca [Ca+2...
EDO B:1125;
 Invalid;
 none;
 submit data
62.068 C2 H6 O2 C(CO)...
PEG A:1125;
 Invalid;
 none;
 submit data
106.12 C4 H10 O3 C(COC...
CL D:1126;
 Invalid;
 none;
 submit data
35.453 Cl [Cl-]
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4CPB 1.57 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF LECA IN COMPLEX WITH A DIVALENT GALACTO 57 ANGSTROM IN MAGNESIUM PSEUDOMONAS AERUGINOSA SUGAR BINDING PROTEIN GALACTOSE BINDING SUGAR BASED INHIBI
Ref.: A LECA LIGAND IDENTIFIED FROM A GALACTOSIDE-CONJUGA INHIBITS HOST CELL INVASION BY PSEUDOMONAS AERUGINO ANGEW.CHEM.INT.ED.ENGL. V. 53 8885 2014
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 552 families.
1 4CPB - GAL CN8 n/a n/a
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 426 families.
1 4CPB - GAL CN8 n/a n/a
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 322 families.
1 4CPB - GAL CN8 n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: GAL CN8; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 GAL CN8 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: GAL CN8; 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 : 4CPB; Ligand: GAL CN8; 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: 4cpb.bio3) has 10 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4CPB; Ligand: GAL CN8; 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: 4cpb.bio3) has 11 residues
No: Leader PDB Ligand Sequence Similarity
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