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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 209 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 175 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 149 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: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 SF8 1 1
2 X3J 0.471698 0.911111
3 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 with APoc: 16
This union binding pocket(no: 1) in the query (biounit: 3lhs.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 2OBF F83 1.03806
2 4N70 2HX 2.02703
3 3FYS PLM 2.02703
4 3CY2 MB9 2.02703
5 4C0R GDS 2.41935
6 5C9P FUC 3.37838
7 2Y7P SAL 3.66972
8 4R38 RBF 4.28571
9 3AKK ADP 4.72973
10 3VQ2 LP4 LP5 MYR DAO 5.55556
11 1QHO ABD 5.74324
12 2FXD DR7 7.07071
13 4L2I FAD 7.43243
14 4NJH 2K8 7.82609
15 4NJH SAM 7.82609
16 4HIA FMN 9.09091
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