Receptor
PDB id Resolution Class Description Source Keywords
2VPR 2.49 Å NON-ENZYME: TRANSCRIPT_TRANSLATE TET REPRESSOR CLASS H IN COMPLEX WITH 5A,6- ANHYDROTETRACYCL PASTEURELLA MULTOCIDA TRANSCRIPTION METAL-BINDING ANTIBIOTIC RESISTANCE TRANSCRREGULATOR TRANSCRIPTION REGULATION DNA-BINDING
Ref.: TET REPRESSOR INDUCTION BY TETRACYCLINE: A MOLECULA DYNAMICS, CONTINUUM ELECTROSTATICS, AND CRYSTALLOGR STUDY J.MOL.BIOL. V. 378 896 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MG A:1207;
Part of Protein;
none;
submit data
24.305 Mg [Mg+2...
SO4 A:1208;
Invalid;
none;
submit data
96.063 O4 S [O-]S...
TDC A:1206;
Valid;
none;
submit data
426.419 C22 H22 N2 O7 Cc1c2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2VPR 2.49 Å NON-ENZYME: TRANSCRIPT_TRANSLATE TET REPRESSOR CLASS H IN COMPLEX WITH 5A,6- ANHYDROTETRACYCL PASTEURELLA MULTOCIDA TRANSCRIPTION METAL-BINDING ANTIBIOTIC RESISTANCE TRANSCRREGULATOR TRANSCRIPTION REGULATION DNA-BINDING
Ref.: TET REPRESSOR INDUCTION BY TETRACYCLINE: A MOLECULA DYNAMICS, CONTINUUM ELECTROSTATICS, AND CRYSTALLOGR STUDY J.MOL.BIOL. V. 378 896 2008
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 309 families.
1 2VPR - TDC C22 H22 N2 O7 Cc1c2cccc(....
70% Homology Family (27)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 263 families.
1 2VPR - TDC C22 H22 N2 O7 Cc1c2cccc(....
2 1ORK Kd = 1.56 nM ATC C25 H30 N4 O8 CN(C)CC(=O....
3 5FKK - TDC C22 H22 N2 O7 Cc1c2cccc(....
4 6FPM - TAC C22 H24 N2 O8 C[C@]1(c2c....
5 2TCT Ka ~ 10000000 M^-1 CTC C22 H23 Cl N2 O8 C[C@]1(c2c....
6 5FKN - TDC C22 H22 N2 O7 Cc1c2cccc(....
7 2VKV Ka = 45000000 M^-1 TDC C22 H22 N2 O7 Cc1c2cccc(....
8 2X9D - ITC C22 H23 Cl N2 O8 C[C@@]1(c2....
9 6QJX - MIY C23 H27 N3 O7 CN(C)c1ccc....
10 4D7M Ka = 980000000000 M^-1 TDC C22 H22 N2 O7 Cc1c2cccc(....
11 5FKO - TDC C22 H22 N2 O7 Cc1c2cccc(....
12 2FJ1 - CTC C22 H23 Cl N2 O8 C[C@]1(c2c....
13 5FKL - TDC C22 H22 N2 O7 Cc1c2cccc(....
14 2XB5 - I7T C21 H21 I N2 O7 CN(C)[C@H]....
15 2TRT - TAC C22 H24 N2 O8 C[C@]1(c2c....
16 6QJW - CTC C22 H23 Cl N2 O8 C[C@]1(c2c....
17 4D7N Ka = 23000000 M^-1 TDC C22 H22 N2 O7 Cc1c2cccc(....
18 6RCR - DXT C22 H24 N2 O8 C[C@H]1c2c....
19 6FPL - TAC C22 H24 N2 O8 C[C@]1(c2c....
20 5FKM - TDC C22 H22 N2 O7 Cc1c2cccc(....
21 6RBM - MIY C23 H27 N3 O7 CN(C)c1ccc....
22 2VKE - TAC C22 H24 N2 O8 C[C@]1(c2c....
23 2O7O - DXT C22 H24 N2 O8 C[C@H]1c2c....
24 3FK7 Kd = 0.75 nM 4DM C20 H17 N O7 Cc1c2cccc(....
25 6RGX - DXT C22 H24 N2 O8 C[C@H]1c2c....
26 6RBL - DXT C22 H24 N2 O8 C[C@H]1c2c....
27 2X6O - 2TC C22 H21 Cl N2 O7 C[C@@]1(c2....
50% Homology Family (27)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 221 families.
1 2VPR - TDC C22 H22 N2 O7 Cc1c2cccc(....
2 1ORK Kd = 1.56 nM ATC C25 H30 N4 O8 CN(C)CC(=O....
3 5FKK - TDC C22 H22 N2 O7 Cc1c2cccc(....
4 6FPM - TAC C22 H24 N2 O8 C[C@]1(c2c....
5 2TCT Ka ~ 10000000 M^-1 CTC C22 H23 Cl N2 O8 C[C@]1(c2c....
6 5FKN - TDC C22 H22 N2 O7 Cc1c2cccc(....
7 2VKV Ka = 45000000 M^-1 TDC C22 H22 N2 O7 Cc1c2cccc(....
8 2X9D - ITC C22 H23 Cl N2 O8 C[C@@]1(c2....
9 6QJX - MIY C23 H27 N3 O7 CN(C)c1ccc....
10 4D7M Ka = 980000000000 M^-1 TDC C22 H22 N2 O7 Cc1c2cccc(....
11 5FKO - TDC C22 H22 N2 O7 Cc1c2cccc(....
12 2FJ1 - CTC C22 H23 Cl N2 O8 C[C@]1(c2c....
13 5FKL - TDC C22 H22 N2 O7 Cc1c2cccc(....
14 2XB5 - I7T C21 H21 I N2 O7 CN(C)[C@H]....
15 2TRT - TAC C22 H24 N2 O8 C[C@]1(c2c....
16 6QJW - CTC C22 H23 Cl N2 O8 C[C@]1(c2c....
17 4D7N Ka = 23000000 M^-1 TDC C22 H22 N2 O7 Cc1c2cccc(....
18 6RCR - DXT C22 H24 N2 O8 C[C@H]1c2c....
19 6FPL - TAC C22 H24 N2 O8 C[C@]1(c2c....
20 5FKM - TDC C22 H22 N2 O7 Cc1c2cccc(....
21 6RBM - MIY C23 H27 N3 O7 CN(C)c1ccc....
22 2VKE - TAC C22 H24 N2 O8 C[C@]1(c2c....
23 2O7O - DXT C22 H24 N2 O8 C[C@H]1c2c....
24 3FK7 Kd = 0.75 nM 4DM C20 H17 N O7 Cc1c2cccc(....
25 6RGX - DXT C22 H24 N2 O8 C[C@H]1c2c....
26 6RBL - DXT C22 H24 N2 O8 C[C@H]1c2c....
27 2X6O - 2TC C22 H21 Cl N2 O7 C[C@@]1(c2....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: TDC; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 TDC 1 1
2 4DM 0.581395 0.762712
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2VPR; Ligand: TDC; 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: 2vpr.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2VPR; Ligand: TDC; 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: 2vpr.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
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