Receptor
PDB id Resolution Class Description Source Keywords
3GF2 1.8 Å NON-ENZYME: TRANSCRIPT_TRANSLATE CRYSTAL STRUCTURE OF THE HYPOTHETICAL REGULATOR ST1710 COMPL SODIUM SALICYLATE SULFOLOBUS TOKODAII TRANSCRIPTION REGULATOR ST1710 MARR DNA-BINDING TRANSCRITRANSCRIPTION REGULATION STRUCTURAL GENOMICS NPPSFA NATIPROJECT ON PROTEIN STRUCTURAL AND FUNCTIONAL ANALYSES RIKESTRUCTURAL GENOMICS/PROTEOMICS INITIATIVE RSGI
Ref.: ST1710-DNA COMPLEX CRYSTAL STRUCTURE REVEALS THE DN MECHANISM OF THE MARR FAMILY OF REGULATORS. NUCLEIC ACIDS RES. V. 37 4723 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SAL A:147;
Valid;
none;
Kd = 20 mM
138.121 C7 H6 O3 c1ccc...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3GF2 1.8 Å NON-ENZYME: TRANSCRIPT_TRANSLATE CRYSTAL STRUCTURE OF THE HYPOTHETICAL REGULATOR ST1710 COMPL SODIUM SALICYLATE SULFOLOBUS TOKODAII TRANSCRIPTION REGULATOR ST1710 MARR DNA-BINDING TRANSCRITRANSCRIPTION REGULATION STRUCTURAL GENOMICS NPPSFA NATIPROJECT ON PROTEIN STRUCTURAL AND FUNCTIONAL ANALYSES RIKESTRUCTURAL GENOMICS/PROTEOMICS INITIATIVE RSGI
Ref.: ST1710-DNA COMPLEX CRYSTAL STRUCTURE REVEALS THE DN MECHANISM OF THE MARR FAMILY OF REGULATORS. NUCLEIC ACIDS RES. V. 37 4723 2009
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 291 families.
1 3GF2 Kd = 20 mM SAL C7 H6 O3 c1ccc(c(c1....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 247 families.
1 3GF2 Kd = 20 mM SAL C7 H6 O3 c1ccc(c(c1....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 209 families.
1 3GF2 Kd = 20 mM 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 : 3GF2; 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: 3gf2.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3GF2; 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: 3gf2.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
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