Receptor
PDB id Resolution Class Description Source Keywords
1XKW 2 Å NON-ENZYME: SIGNAL_HORMONE PYOCHELIN OUTER MEMBRANE RECEPTOR FPTA FROM PSEUDOMONAS AERUGINOSA PSEUDOMONAS AERUGINOSA TONB DEPENDENT RECEPTOR MEMBRANE PROTEIN
Ref.: CRYSTAL STRUCTURE AT HIGH RESOLUTION OF FERRIC-PYOCHELIN AND ITS MEMBRANE RECEPTOR FPTA FROM PSEUDOMONAS AERUGINOSA J.MOL.BIOL. V. 352 893 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
188 A:1001;
Valid;
none;
submit data
378.248 C14 H14 Fe N2 O3 S2 C[N@@...
EDO A:4001;
Invalid;
none;
submit data
62.068 C2 H6 O2 C(CO)...
LDA A:2001;
A:2002;
A:2003;
A:2004;
A:2005;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
submit data
229.402 C14 H31 N O CCCCC...
SO4 A:3001;
A:3002;
A:3003;
A:3004;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1XKW 2 Å NON-ENZYME: SIGNAL_HORMONE PYOCHELIN OUTER MEMBRANE RECEPTOR FPTA FROM PSEUDOMONAS AERUGINOSA PSEUDOMONAS AERUGINOSA TONB DEPENDENT RECEPTOR MEMBRANE PROTEIN
Ref.: CRYSTAL STRUCTURE AT HIGH RESOLUTION OF FERRIC-PYOCHELIN AND ITS MEMBRANE RECEPTOR FPTA FROM PSEUDOMONAS AERUGINOSA J.MOL.BIOL. V. 352 893 2005
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 289 families.
1 1XKW - 188 C14 H14 Fe N2 O3 S2 C[N@@]12[C....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 214 families.
1 1XKW - 188 C14 H14 Fe N2 O3 S2 C[N@@]12[C....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 181 families.
1 1XKW - 188 C14 H14 Fe N2 O3 S2 C[N@@]12[C....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 188; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 188 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: 188; Similar ligands found: 3
No: Ligand Similarity coefficient
1 M2F 0.8664
2 KN1 0.8629
3 8OX 0.8616
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1XKW; Ligand: 188; 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: 1xkw.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
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