Receptor
PDB id Resolution Class Description Source Keywords
3TW1 1.77 Å NON-ENZYME: FOLDING STRUCTURE OF RTT106-AHN SACCHAROMYCES CEREVISIAE TANDEM PLECKSTRIN-HOMOLOGY DOMAINS CHROMOSOMAL PROTEIN NUCPHOSPHOPROTEIN TRANSCRIPTION TRANSCRIPTION REGULATION CH
Ref.: STRUCTURAL BASIS FOR RECOGNITION OF H3K56-ACETYLATE H3-H4 BY THE CHAPERONE RTT106. NATURE V. 483 104 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
AHN A:1;
A:302;
Valid;
Valid;
none;
none;
submit data
153.182 C7 H11 N3 O CC(=O...
GOL A:304;
A:305;
Invalid;
Invalid;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3TW1 1.77 Å NON-ENZYME: FOLDING STRUCTURE OF RTT106-AHN SACCHAROMYCES CEREVISIAE TANDEM PLECKSTRIN-HOMOLOGY DOMAINS CHROMOSOMAL PROTEIN NUCPHOSPHOPROTEIN TRANSCRIPTION TRANSCRIPTION REGULATION CH
Ref.: STRUCTURAL BASIS FOR RECOGNITION OF H3K56-ACETYLATE H3-H4 BY THE CHAPERONE RTT106. NATURE V. 483 104 2012
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 25 families.
1 3TW1 - AHN C7 H11 N3 O CC(=O)NCCc....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 20 families.
1 3TW1 - AHN C7 H11 N3 O CC(=O)NCCc....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 14 families.
1 3TW1 - AHN C7 H11 N3 O CC(=O)NCCc....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: AHN; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 AHN 1 1
2 HSM 0.428571 0.72973
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3TW1; Ligand: AHN; 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: 3tw1.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3TW1; Ligand: AHN; 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: 3tw1.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
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