Receptor
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
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FE A:500;
Invalid;
none;
submit data
55.845 Fe [Fe+3...
GOL A:400;
A:401;
A:402;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
SF8 A:501;
Valid;
none;
submit data
480.377 C17 H24 N2 O14 C(C[C...
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 199 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 166 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 141 families.
1 3LHS - SF8 C17 H24 N2 O14 C(C[C@H](C....
2 3LI2 - FE SF8 n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: SF8; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 SF8 1 1
2 X3J 0.471698 0.911111
3 FE SF8 0.461538 0.893617
4 SUG 0.412698 0.66
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3LHS; Ligand: SF8; Similar sites found: 11
This union binding pocket(no: 1) in the query (biounit: 3lhs.bio1) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4N70 2HX 0.02879 0.42603 2.02703
2 3FYS PLM 0.01563 0.41764 2.02703
3 4C0R GDS 0.03371 0.40015 2.41935
4 4R38 RBF 0.0233 0.4021 4.28571
5 3AKK ADP 0.0137 0.41008 4.72973
6 3VQ2 LP4 LP5 MYR DAO 0.03518 0.41786 5.55556
7 1QHO ABD 0.03324 0.40584 5.74324
8 2FXD DR7 0.03045 0.40911 7.07071
9 4L2I FAD 0.04369 0.40714 7.43243
10 4P8K FAD 0.03573 0.42376 12.1622
11 4P8K 38C 0.03573 0.42376 12.1622
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