Receptor
PDB id Resolution Class Description Source Keywords
4L50 2.1 Å NON-ENZYME: TRANSCRIPT_TRANSLATE CRYSTAL STRUCTURES OF THE LSRR PROTEINS COMPLEXED WITH PHOSP AND ITS TWO DIFFERENT ANALOGS REVEAL DISTINCT MECHANISMS FOR ECOGNITION ESCHERICHIA COLI DNA TRANSCRIPTIONAL REGULATOR PHOSPHO-AI-2 BINDING DNA BINTRANSCRIPTION REGULATOR REMOVED HELIX-TURN-HELIX DOMAIN SFAMILY
Ref.: CRYSTAL STRUCTURES OF THE LSRR PROTEINS COMPLEXED W PHOSPHO-AI-2 AND TWO SIGNAL-INTERRUPTING ANALOGUES DISTINCT MECHANISMS FOR LIGAND RECOGNITION. J.AM.CHEM.SOC. V. 135 15526 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
D8X B:401;
A:501;
Valid;
Valid;
none;
none;
Kd = 0.88 uM
272.19 C8 H17 O8 P CC(C)...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4L50 2.1 Å NON-ENZYME: TRANSCRIPT_TRANSLATE CRYSTAL STRUCTURES OF THE LSRR PROTEINS COMPLEXED WITH PHOSP AND ITS TWO DIFFERENT ANALOGS REVEAL DISTINCT MECHANISMS FOR ECOGNITION ESCHERICHIA COLI DNA TRANSCRIPTIONAL REGULATOR PHOSPHO-AI-2 BINDING DNA BINTRANSCRIPTION REGULATOR REMOVED HELIX-TURN-HELIX DOMAIN SFAMILY
Ref.: CRYSTAL STRUCTURES OF THE LSRR PROTEINS COMPLEXED W PHOSPHO-AI-2 AND TWO SIGNAL-INTERRUPTING ANALOGUES DISTINCT MECHANISMS FOR LIGAND RECOGNITION. J.AM.CHEM.SOC. V. 135 15526 2013
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 291 families.
1 4L51 Kd = 995 uM HSX C5 H11 O8 P C([C@@H]1[....
2 4L4Z Kd = 2.1 uM D5X C5 H11 O8 P CC(=O)C([C....
3 4L50 Kd = 0.88 uM D8X C8 H17 O8 P CC(C)CC(=O....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 247 families.
1 4L51 Kd = 995 uM HSX C5 H11 O8 P C([C@@H]1[....
2 4L4Z Kd = 2.1 uM D5X C5 H11 O8 P CC(=O)C([C....
3 4L50 Kd = 0.88 uM D8X C8 H17 O8 P CC(C)CC(=O....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 209 families.
1 4L51 Kd = 995 uM HSX C5 H11 O8 P C([C@@H]1[....
2 4L4Z Kd = 2.1 uM D5X C5 H11 O8 P CC(=O)C([C....
3 4L50 Kd = 0.88 uM D8X C8 H17 O8 P CC(C)CC(=O....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: D8X; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 D8X 1 1
2 D5X 0.581395 0.846154
3 DXP 0.404255 0.820513
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4L50; Ligand: D8X; 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: 4l50.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4L50; Ligand: D8X; 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: 4l50.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
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