Receptor
PDB id Resolution Class Description Source Keywords
2Y7P 1.85 Å NON-ENZYME: BINDING DNTR INDUCER BINDING DOMAIN IN COMPLEX WITH SALICYLATE. TRIGONAL CRYSTAL FORM BURKHOLDERIA SP. TRANSCRIPTION REGULATOR DNA-BINDING TRANSCRIPTION TRANSCRFACTOR TRANSCRIPTION REGULATION
Ref.: CRYSTAL STRUCTURES OF DNTR INDUCER BINDING DOMAINS COMPLEX WITH SALICYLATE OFFER INSIGHTS INTO THE ACT OF LYSR-TYPE TRANSCRIPTIONAL REGULATORS. MOL.MICROBIOL. V. 81 354 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PEU A:1305;
Invalid;
none;
submit data
1221.46 C55 H112 O28 COCCO...
SAL A:1000;
A:1001;
Valid;
Valid;
none;
none;
Kd = 11.8 uM
138.121 C7 H6 O3 c1ccc...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2Y7P 1.85 Å NON-ENZYME: BINDING DNTR INDUCER BINDING DOMAIN IN COMPLEX WITH SALICYLATE. TRIGONAL CRYSTAL FORM BURKHOLDERIA SP. TRANSCRIPTION REGULATOR DNA-BINDING TRANSCRIPTION TRANSCRFACTOR TRANSCRIPTION REGULATION
Ref.: CRYSTAL STRUCTURES OF DNTR INDUCER BINDING DOMAINS COMPLEX WITH SALICYLATE OFFER INSIGHTS INTO THE ACT OF LYSR-TYPE TRANSCRIPTIONAL REGULATORS. MOL.MICROBIOL. V. 81 354 2011
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 510 families.
1 2Y7K Kd = 11.8 uM SAL C7 H6 O3 c1ccc(c(c1....
2 2Y7P Kd = 11.8 uM SAL C7 H6 O3 c1ccc(c(c1....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 391 families.
1 2Y7K Kd = 11.8 uM SAL C7 H6 O3 c1ccc(c(c1....
2 2Y7P Kd = 11.8 uM SAL C7 H6 O3 c1ccc(c(c1....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 298 families.
1 4RPN Kd = 110 nM PCI C6 H Cl5 O c1(c(c(c(c....
2 4RPO Kd = 22.8 nM T6C C6 H3 Cl3 O c1c(cc(c(c....
3 2Y7K Kd = 11.8 uM SAL C7 H6 O3 c1ccc(c(c1....
4 2Y7P Kd = 11.8 uM SAL C7 H6 O3 c1ccc(c(c1....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: SAL; Similar ligands found: 10
No: Ligand ECFP6 Tc MDL keys Tc
1 SAL 1 1
2 PHT 0.576923 0.636364
3 JKE 0.516129 0.625
4 DBH 0.5 0.869565
5 3HA 0.470588 0.633333
6 GRE 0.466667 0.909091
7 3GQ 0.419355 0.636364
8 GTQ 0.411765 0.952381
9 DOB 0.4 0.952381
10 CAQ 0.4 0.681818
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2Y7P; Ligand: SAL; 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: 2y7p.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2Y7P; Ligand: SAL; 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: 2y7p.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2Y7P; Ligand: SAL; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 2y7p.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 2Y7P; Ligand: SAL; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 2y7p.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
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