Receptor
PDB id Resolution Class Description Source Keywords
4CP9 1.65 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF LECA LECTIN COMPLEXED WITH A DIVALENT GALACTOSIDE AT 1.65 ANGSTROM 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 A:1123;
B:1124;
C:1124;
D:1124;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
412.467 n/a S(C1O...
CA A:1122;
D:1123;
B:1123;
C:1123;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
40.078 Ca [Ca+2...
SO4 A:1126;
D:1126;
Invalid;
Invalid;
none;
none;
submit data
96.063 O4 S [O-]S...
1PE C:1126;
A:1125;
D:1127;
B:1126;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
238.278 C10 H22 O6 C(COC...
EDO B:1128;
B:1127;
Invalid;
Invalid;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4CP9 1.65 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF LECA LECTIN COMPLEXED WITH A DIVALENT GALACTOSIDE AT 1.65 ANGSTROM 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 473 families.
1 4CP9 - 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 355 families.
1 4CP9 - 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 272 families.
1 4CP9 - GAL CN8 n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GAL CN8; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 GAL CN8 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4CP9; Ligand: GAL CN8; Similar sites found: 11
This union binding pocket(no: 1) in the query (biounit: 4cp9.bio5) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2Q4V ACO 0.003689 0.45343 None
2 3RE4 TO1 0.01992 0.40185 None
3 5DH3 5BS 0.021 0.40617 4.95868
4 5K8B PDG 0.01775 0.41321 5.78512
5 2I0K FAD 0.02084 0.42473 6.61157
6 2B56 U5P 0.02222 0.41251 8.26446
7 2B56 UTP 0.02222 0.41251 8.26446
8 2IRY DGT 0.02108 0.40252 8.26446
9 1QSM ACO 0.03583 0.40152 9.09091
10 5JFS 6K0 0.04047 0.41182 9.91736
11 2WFG ZZB 0.009194 0.42276 14.876
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