Receptor
PDB id Resolution Class Description Source Keywords
2H6B 2.2 Å NON-ENZYME: TRANSCRIPT_TRANSLATE CRYSTAL STRUCTURE OF OXIDIZED CPRK IN COMPLEX WITH O- CHLOROPHENOLACETIC ACID DESULFITOBACTERIUM HAFNIENSE HALORESPIRATION DNA BINDING CHLORINATED LIGAND CHLOROPHENHELIX-TURN-HELIX DNA BINDING PROTEIN
Ref.: CPRK CRYSTAL STRUCTURES REVEAL MECHANISM FOR TRANSC CONTROL OF HALORESPIRATION. J.BIOL.CHEM. V. 281 28318 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
3C4 A:302;
B:301;
Valid;
Valid;
none;
none;
Kd = 4.1 uM
186.592 C8 H7 Cl O3 c1cc(...
SO4 A:251;
B:251;
Invalid;
Invalid;
none;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2H6B 2.2 Å NON-ENZYME: TRANSCRIPT_TRANSLATE CRYSTAL STRUCTURE OF OXIDIZED CPRK IN COMPLEX WITH O- CHLOROPHENOLACETIC ACID DESULFITOBACTERIUM HAFNIENSE HALORESPIRATION DNA BINDING CHLORINATED LIGAND CHLOROPHENHELIX-TURN-HELIX DNA BINDING PROTEIN
Ref.: CPRK CRYSTAL STRUCTURES REVEAL MECHANISM FOR TRANSC CONTROL OF HALORESPIRATION. J.BIOL.CHEM. V. 281 28318 2006
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 291 families.
1 3E5X - 3C4 C8 H7 Cl O3 c1cc(c(cc1....
2 3E5U - 3C4 C8 H7 Cl O3 c1cc(c(cc1....
3 3E6B - 3C4 C8 H7 Cl O3 c1cc(c(cc1....
4 2H6B Kd = 4.1 uM 3C4 C8 H7 Cl O3 c1cc(c(cc1....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 247 families.
1 3E5X - 3C4 C8 H7 Cl O3 c1cc(c(cc1....
2 3E5U - 3C4 C8 H7 Cl O3 c1cc(c(cc1....
3 3E6B - 3C4 C8 H7 Cl O3 c1cc(c(cc1....
4 2H6B Kd = 4.1 uM 3C4 C8 H7 Cl O3 c1cc(c(cc1....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 209 families.
1 3E5X - 3C4 C8 H7 Cl O3 c1cc(c(cc1....
2 3E5U - 3C4 C8 H7 Cl O3 c1cc(c(cc1....
3 3E6B - 3C4 C8 H7 Cl O3 c1cc(c(cc1....
4 2H6B Kd = 4.1 uM 3C4 C8 H7 Cl O3 c1cc(c(cc1....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 3C4; Similar ligands found: 8
No: Ligand ECFP6 Tc MDL keys Tc
1 3C4 1 1
2 DHY 0.578947 0.724138
3 YTX 0.488889 0.7
4 LNN 0.44898 0.75
5 CHB 0.439024 0.88
6 3HP 0.418605 0.730769
7 IH5 0.413793 0.78125
8 4HP 0.410256 0.76
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2H6B; Ligand: 3C4; 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: 2h6b.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2H6B; Ligand: 3C4; 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: 2h6b.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2H6B; Ligand: 3C4; 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: 2h6b.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 2H6B; Ligand: 3C4; 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: 2h6b.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 2H6B; Ligand: 3C4; 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: 2h6b.bio1) has 27 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 2H6B; Ligand: 3C4; 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: 2h6b.bio1) has 27 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 2H6B; Ligand: 3C4; 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: 2h6b.bio1) has 27 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 2H6B; Ligand: 3C4; 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: 2h6b.bio1) has 27 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 2H6B; Ligand: 3C4; 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: 2h6b.bio2) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 10; Query (leader) PDB : 2H6B; Ligand: 3C4; 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: 2h6b.bio2) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 11; Query (leader) PDB : 2H6B; Ligand: 3C4; 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: 2h6b.bio2) has 27 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 12; Query (leader) PDB : 2H6B; Ligand: 3C4; 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: 2h6b.bio2) has 27 residues
No: Leader PDB Ligand Sequence Similarity
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