Receptor
PDB id Resolution Class Description Source Keywords
5FS0 2.4 Å NON-ENZYME: TRANSCRIPT_TRANSLATE CRYSTAL STRUCTURE OF THE PHENOL-RESPONSIVE SENSORY DOMAIN OF TRANSCRIPTION ACTIVATOR POXR WITH 2,4-DICHLOROPHENOL CUPRIAVIDUS NECATOR TRANSCRIPTION PHENOL DMPR ENHANCER-BINDING PROTEIN ACTIVATPASE FAMILY
Ref.: STRUCTURAL ANALYSIS OF THE PHENOL-RESPONSIVE SENSOR OF THE TRANSCRIPTION ACTIVATOR POXR STRUCTURE V. 624 24 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ZN A:1210;
B:1209;
Part of Protein;
Part of Protein;
none;
none;
submit data
65.409 Zn [Zn+2...
5JC B:1210;
A:1209;
Valid;
Valid;
none;
none;
Kd = 0.6 uM
163.001 C6 H4 Cl2 O c1cc(...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5FS0 2.4 Å NON-ENZYME: TRANSCRIPT_TRANSLATE CRYSTAL STRUCTURE OF THE PHENOL-RESPONSIVE SENSORY DOMAIN OF TRANSCRIPTION ACTIVATOR POXR WITH 2,4-DICHLOROPHENOL CUPRIAVIDUS NECATOR TRANSCRIPTION PHENOL DMPR ENHANCER-BINDING PROTEIN ACTIVATPASE FAMILY
Ref.: STRUCTURAL ANALYSIS OF THE PHENOL-RESPONSIVE SENSOR OF THE TRANSCRIPTION ACTIVATOR POXR STRUCTURE V. 624 24 2016
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 291 families.
1 5FS0 Kd = 0.6 uM 5JC C6 H4 Cl2 O c1cc(c(cc1....
2 5FRY Kd = 4 uM ERH C8 H10 O Cc1cc(cc(c....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 247 families.
1 5FS0 Kd = 0.6 uM 5JC C6 H4 Cl2 O c1cc(c(cc1....
2 5FRY Kd = 4 uM ERH C8 H10 O Cc1cc(cc(c....
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 5FS0 Kd = 0.6 uM 5JC C6 H4 Cl2 O c1cc(c(cc1....
2 5FRY Kd = 4 uM ERH C8 H10 O Cc1cc(cc(c....
3 5KBE Kd = 0.46 uM IPH C6 H6 O c1ccc(cc1)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 5JC; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 5JC 1 1
2 4CL 0.518519 0.809524
3 4ZC 0.411765 0.809524
4 CHB 0.4 0.772727
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5FS0; Ligand: 5JC; 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: 5fs0.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5FS0; Ligand: 5JC; 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: 5fs0.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
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