Receptor
PDB id Resolution Class Description Source Keywords
6ET8 1.7 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF ALBA IN COMPLEX WITH ALBICIDIN KLEBSIELLA OXYTOCA ALBICIDIN ALBA PROTEIN BINDING
Ref.: MOLECULAR INSIGHTS INTO ANTIBIOTIC RESISTANCE - HOW BINDING PROTEIN TRAPS ALBICIDIN. NAT COMMUN V. 9 3095 2018
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BWH A:301;
B:301;
 Valid;
Valid;
 none;
none;
 Kd = 5.6 nM
842.806 C44 H38 N6 O12 C/C(=...
SO4 B:302;
 Invalid;
 none;
 submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6ET8 1.7 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF ALBA IN COMPLEX WITH ALBICIDIN KLEBSIELLA OXYTOCA ALBICIDIN ALBA PROTEIN BINDING
Ref.: MOLECULAR INSIGHTS INTO ANTIBIOTIC RESISTANCE - HOW BINDING PROTEIN TRAPS ALBICIDIN. NAT COMMUN V. 9 3095 2018
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 6H96 - FWE C44 H38 N6 O12 C/C(=Cc1cc....
2 6HAI - FWW C44 H37 N5 O13 C/C(=Cc1cc....
3 6ET8 Kd = 5.6 nM BWH C44 H38 N6 O12 C/C(=Cc1cc....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 6H96 - FWE C44 H38 N6 O12 C/C(=Cc1cc....
2 6HAI - FWW C44 H37 N5 O13 C/C(=Cc1cc....
3 6ET8 Kd = 5.6 nM BWH C44 H38 N6 O12 C/C(=Cc1cc....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 6H96 - FWE C44 H38 N6 O12 C/C(=Cc1cc....
2 6HAI - FWW C44 H37 N5 O13 C/C(=Cc1cc....
3 6ET8 Kd = 5.6 nM BWH C44 H38 N6 O12 C/C(=Cc1cc....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: BWH; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 BWH 1 1
2 FWW 0.614173 0.757576
3 FWE 0.601562 0.685714
Similar Ligands (3D)
Ligand no: 1; Ligand: BWH; 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 : 6ET8; Ligand: BWH; 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: 6et8.bio2) has 42 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 6ET8; Ligand: BWH; 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: 6et8.bio1) has 40 residues
No: Leader PDB Ligand Sequence Similarity
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