Receptor
PDB id Resolution Class Description Source Keywords
3FXU 1.95 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF TSAR IN COMPLEX WITH ITS EFFECTOR P- TOLUENESULFONATE COMAMONAS TESTOSTERONI LYSR-TYPE TRANSCRIPTIONAL REGULATOR LTTR TSAR WHTH DNA-TRANSCRIPTION TRANSCRIPTION REGULATION TRANSCRIPTION REGU
Ref.: STRUCTURAL STUDIES ON THE FULL-LENGTH LYSR-TYPE REG TSAR FROM COMAMONAS TESTOSTERONI T-2 REVEAL A NOVEL CONFORMATION OF THE TETRAMERIC LTTR FOLD MOL.MICROBIOL. V. 75 1199 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CL A:5002;
B:5001;
B:5003;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
35.453 Cl [Cl-]
FMT B:4001;
Invalid;
none;
submit data
46.025 C H2 O2 C(=O)...
GOL A:3001;
A:3002;
A:3003;
B:3004;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
IMD A:2001;
Invalid;
none;
submit data
69.085 C3 H5 N2 c1c[n...
TSU A:1001;
A:1002;
A:1003;
A:1004;
A:1006;
A:1008;
B:1005;
B:1007;
B:1009;
B:1010;
B:1011;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
172.202 C7 H8 O3 S Cc1cc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3FXU 1.95 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF TSAR IN COMPLEX WITH ITS EFFECTOR P- TOLUENESULFONATE COMAMONAS TESTOSTERONI LYSR-TYPE TRANSCRIPTIONAL REGULATOR LTTR TSAR WHTH DNA-TRANSCRIPTION TRANSCRIPTION REGULATION TRANSCRIPTION REGU
Ref.: STRUCTURAL STUDIES ON THE FULL-LENGTH LYSR-TYPE REG TSAR FROM COMAMONAS TESTOSTERONI T-2 REVEAL A NOVEL CONFORMATION OF THE TETRAMERIC LTTR FOLD MOL.MICROBIOL. V. 75 1199 2010
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 3FXR - ASC C6 H8 O6 C([C@@H]([....
2 3FXU - TSU C7 H8 O3 S Cc1ccc(cc1....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1205 families.
1 3FXR - ASC C6 H8 O6 C([C@@H]([....
2 3FXU - TSU C7 H8 O3 S Cc1ccc(cc1....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 3FXR - ASC C6 H8 O6 C([C@@H]([....
2 3FXU - TSU C7 H8 O3 S Cc1ccc(cc1....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: TSU; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 TSU 1 1
2 4J8 0.5 0.658537
3 PMB 0.448276 0.911765
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3FXU; Ligand: TSU; 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: 3fxu.bio1) has 3 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3FXU; Ligand: TSU; 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: 3fxu.bio1) has 3 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3FXU; Ligand: TSU; 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: 3fxu.bio1) has 4 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 3FXU; Ligand: TSU; 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: 3fxu.bio1) has 4 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 3FXU; Ligand: TSU; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 3fxu.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 3FXU; Ligand: TSU; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 3fxu.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 3FXU; Ligand: TSU; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 3fxu.bio1) has 4 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 3FXU; Ligand: TSU; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 3fxu.bio1) has 4 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 3FXU; Ligand: TSU; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 9) in the query (biounit: 3fxu.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 10; Query (leader) PDB : 3FXU; Ligand: TSU; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 10) in the query (biounit: 3fxu.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 11; Query (leader) PDB : 3FXU; Ligand: TSU; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 11) in the query (biounit: 3fxu.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 12; Query (leader) PDB : 3FXU; Ligand: TSU; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 12) in the query (biounit: 3fxu.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 13; Query (leader) PDB : 3FXU; Ligand: TSU; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 13) in the query (biounit: 3fxu.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 14; Query (leader) PDB : 3FXU; Ligand: TSU; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 14) in the query (biounit: 3fxu.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 15; Query (leader) PDB : 3FXU; Ligand: TSU; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 15) in the query (biounit: 3fxu.bio1) has 2 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 16; Query (leader) PDB : 3FXU; Ligand: TSU; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 16) in the query (biounit: 3fxu.bio1) has 2 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 17; Query (leader) PDB : 3FXU; Ligand: TSU; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 17) in the query (biounit: 3fxu.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 18; Query (leader) PDB : 3FXU; Ligand: TSU; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 18) in the query (biounit: 3fxu.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 19; Query (leader) PDB : 3FXU; Ligand: TSU; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 19) in the query (biounit: 3fxu.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 20; Query (leader) PDB : 3FXU; Ligand: TSU; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 20) in the query (biounit: 3fxu.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 21; Query (leader) PDB : 3FXU; Ligand: TSU; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 21) in the query (biounit: 3fxu.bio1) has 26 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 22; Query (leader) PDB : 3FXU; Ligand: TSU; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 22) in the query (biounit: 3fxu.bio1) has 26 residues
No: Leader PDB Ligand Sequence Similarity
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