Receptor
PDB id Resolution Class Description Source Keywords
4G86 2.39 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF THE REDOX-ACTIVE COFACTOR DBMIB BOUND T LENGTH CIRCADIAN CLOCK PROTEIN KAIA FROM SYNECHOCOCCUS ELON SYNECHOCOCCUS ELONGATUS HOMODIMER KAIC PHOSPHORYLATION ACTIVATOR KAIC PROTEIN BIN
Ref.: CRYSTAL STRUCTURE OF THE REDOX-ACTIVE COFACTOR DIBROMOTHYMOQUINONE BOUND TO CIRCADIAN CLOCK PROTEI AND STRUCTURAL BASIS FOR DIBROMOTHYMOQUINONE'S ABIL PREVENT STIMULATION OF KAIC PHOSPHORYLATION BY KAIA BIOCHEMISTRY V. 51 8050 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
1PE A:302;
Invalid;
none;
submit data
238.278 C10 H22 O6 C(COC...
2PE A:303;
Invalid;
none;
submit data
414.488 C18 H38 O10 C(COC...
BNT A:301;
A:304;
B:1301;
B:1302;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
321.993 C10 H10 Br2 O2 CC1=C...
GOL B:1303;
B:1304;
Invalid;
Invalid;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4G86 2.39 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF THE REDOX-ACTIVE COFACTOR DBMIB BOUND T LENGTH CIRCADIAN CLOCK PROTEIN KAIA FROM SYNECHOCOCCUS ELON SYNECHOCOCCUS ELONGATUS HOMODIMER KAIC PHOSPHORYLATION ACTIVATOR KAIC PROTEIN BIN
Ref.: CRYSTAL STRUCTURE OF THE REDOX-ACTIVE COFACTOR DIBROMOTHYMOQUINONE BOUND TO CIRCADIAN CLOCK PROTEI AND STRUCTURAL BASIS FOR DIBROMOTHYMOQUINONE'S ABIL PREVENT STIMULATION OF KAIC PHOSPHORYLATION BY KAIA BIOCHEMISTRY V. 51 8050 2012
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 4G86 - BNT C10 H10 Br2 O2 CC1=C(C(=O....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1205 families.
1 4G86 - BNT C10 H10 Br2 O2 CC1=C(C(=O....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 4G86 - BNT C10 H10 Br2 O2 CC1=C(C(=O....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: BNT; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 BNT 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4G86; Ligand: BNT; 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: 4g86.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4G86; Ligand: BNT; 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: 4g86.bio1) has 6 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4G86; Ligand: BNT; 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: 4g86.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 4G86; Ligand: BNT; 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: 4g86.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
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