Receptor
PDB id Resolution Class Description Source Keywords
7BWL 2.25 Å NON-ENZYME: OTHER STRUCTURE OF ANTIBIOTIC SEQUESTER FROM PSEUDOMONAS AERURINOS PSEUDOMONAS AERUGINOSA PAO1 LIPOCALIN FAMILY ANTIBIOTIC SEQUESTER ANTIBIOTIC RESISTANCANTIBIOTIC
Ref.: CRYSTAL STRUCTURE OF THE PSEUDOMONAS AERUGINOSA PA0 PROTEIN AND ITS FUNCTIONAL IMPLICATION IN ANTIBIOTI SEQUESTRATION. BIOCHEM.BIOPHYS.RES.COMMUN. V. 528 85 2020
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
UQ8 A:201;
 Valid;
 none;
 submit data
727.109 C49 H74 O4 CC1=C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
7BWL 2.25 Å NON-ENZYME: OTHER STRUCTURE OF ANTIBIOTIC SEQUESTER FROM PSEUDOMONAS AERURINOS PSEUDOMONAS AERUGINOSA PAO1 LIPOCALIN FAMILY ANTIBIOTIC SEQUESTER ANTIBIOTIC RESISTANCANTIBIOTIC
Ref.: CRYSTAL STRUCTURE OF THE PSEUDOMONAS AERUGINOSA PA0 PROTEIN AND ITS FUNCTIONAL IMPLICATION IN ANTIBIOTI SEQUESTRATION. BIOCHEM.BIOPHYS.RES.COMMUN. V. 528 85 2020
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 7BWL - UQ8 C49 H74 O4 CC1=C(C(=O....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 7BWL - UQ8 C49 H74 O4 CC1=C(C(=O....
2 1Y0G - 8PP C46 H70 O CC(=CCCC(=....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 7BWL - UQ8 C49 H74 O4 CC1=C(C(=O....
2 1Y0G - 8PP C46 H70 O CC(=CCCC(=....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: UQ8; Similar ligands found: 12
No: Ligand ECFP6 Tc MDL keys Tc
1 UQ9 1 1
2 UQ7 1 1
3 UQ 1 1
4 UQ8 1 1
5 UQ5 1 0.970588
6 U10 1 1
7 UQ2 0.92 0.941176
8 UQ1 0.603774 0.794118
9 MQ7 0.552239 0.710526
10 MQ9 0.552239 0.710526
11 UQ6 0.449275 0.780488
12 9BR 0.405405 0.622222
Similar Ligands (3D)
Ligand no: 1; Ligand: UQ8; 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 : 7BWL; Ligand: UQ8; Similar sites found with APoc: 1
This union binding pocket(no: 1) in the query (biounit: 7bwl.bio1) has 44 residues
No: Leader PDB Ligand Sequence Similarity
1 1WUB OTP 48.3146
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