Receptor
PDB id Resolution Class Description Source Keywords
3LI2 2.2 Å NON-ENZYME: TRANSPORT CLOSED CONFORMATION OF HTSA COMPLEXED WITH STAPHYLOFERRIN A STAPHYLOCOCCUS AUREUS SUBSP. AUREUS SIDEROPHORE IRON RECEPTOR LIPOPROTEIN BINDING PROTEIN TPROTEIN
Ref.: THE STAPHYLOCOCCUS AUREUS SIDEROPHORE RECEPTOR HTSA UNDERGOES LOCALIZED CONFORMATIONAL CHANGES TO ENCLO STAPHYLOFERRIN A IN AN ARGININE-RICH BINDING POCKET J.BIOL.CHEM. V. 285 11162 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACT A:14;
 Invalid;
 none;
 submit data
59.044 C2 H3 O2 CC(=O...
FE SF8 A:500;
B:500;
 Valid;
Valid;
 none;
none;
 submit data
n/a n/a
ZN A:1;
A:2;
A:3;
A:4;
 Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
 none;
none;
none;
none;
 submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3LHS 1.3 Å NON-ENZYME: TRANSPORT OPEN CONFORMATION OF HTSA COMPLEXED WITH STAPHYLOFERRIN A STAPHYLOCOCCUS AUREUS SUBSP. AUREUS STORGANISM_TAXID: 426430 SIDEROPHORE IRON RECEPTOR LIPOPROTEIN BINDING PROTEIN TPROTEIN
Ref.: THE STAPHYLOCOCCUS AUREUS SIDEROPHORE RECEPTOR HTSA UNDERGOES LOCALIZED CONFORMATIONAL CHANGES TO ENCLO STAPHYLOFERRIN A IN AN ARGININE-RICH BINDING POCKET J.BIOL.CHEM. V. 285 11162 2010
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 232 families.
1 3LHS - SF8 C17 H24 N2 O14 C(C[C@H](C....
2 3LI2 - FE SF8 n/a n/a
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 197 families.
1 3LHS - SF8 C17 H24 N2 O14 C(C[C@H](C....
2 3LI2 - FE SF8 n/a n/a
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 165 families.
1 3LHS - SF8 C17 H24 N2 O14 C(C[C@H](C....
2 3LI2 - FE SF8 n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: FE SF8; Similar ligands found: 0
No: Ligand ECFP6 Tc MDL keys Tc
Similar Ligands (3D)
Ligand no: 1; Ligand: FE SF8; Similar ligands found: 2
No: Ligand Similarity coefficient
1 FE SF8 1.0000
2 SF8 0.9538
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3LHS; Ligand: SF8; 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: 3lhs.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
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