Receptor
PDB id Resolution Class Description Source Keywords
3AJH 2.25 Å EC: 1.3.7.5 CRYSTAL STRUCTURE OF PCYA V225D-BILIVERDIN XIII ALPHA COMPLE SYNECHOCYSTIS ALPHA/BETA/ALPHA SANDWICH OXIDOREDUCTASE
Ref.: ONE RESIDUE SUBSTITUTION IN PCYA LEADS TO UNEXPECTE IN TETRAPYRROLE SUBSTRATE BINDING. BIOCHEM.BIOPHYS.RES.COMMUN. V. 402 373 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BL3 A:250;
B:250;
 Valid;
Valid;
 none;
none;
 submit data
582.646 C33 H34 N4 O6 Cc1c(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3AJH 2.25 Å EC: 1.3.7.5 CRYSTAL STRUCTURE OF PCYA V225D-BILIVERDIN XIII ALPHA COMPLE SYNECHOCYSTIS ALPHA/BETA/ALPHA SANDWICH OXIDOREDUCTASE
Ref.: ONE RESIDUE SUBSTITUTION IN PCYA LEADS TO UNEXPECTE IN TETRAPYRROLE SUBSTRATE BINDING. BIOCHEM.BIOPHYS.RES.COMMUN. V. 402 373 2010
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3AJH - BL3 C33 H34 N4 O6 Cc1c(c([nH....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3AJH - BL3 C33 H34 N4 O6 Cc1c(c([nH....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3AJH - BL3 C33 H34 N4 O6 Cc1c(c([nH....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: BL3; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 BL3 1 1
2 BLA 0.883721 1
3 DBV 0.69 0.962963
4 MBV 0.495146 0.962264
5 LBV 0.413223 0.981132
Similar Ligands (3D)
Ligand no: 1; Ligand: BL3; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3AJH; Ligand: BL3; 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: 3ajh.bio2) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3AJH; Ligand: BL3; 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: 3ajh.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
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