Receptor
PDB id Resolution Class Description Source Keywords
1YBQ 2 Å EC: 3.4.19.- CRYSTAL STRUCTURE OF ESCHERICHIA COLI ISOASPARTYL DIPEPTIDAS D285N COMPLEXED WITH BETA-ASPARTYLHISTIDINE ESCHERICHIA COLI HYDROLASE DIPEPTIDASE
Ref.: MECHANISM OF THE REACTION CATALYZED BY ISOASPARTYL DIPEPTIDASE FROM ESCHERICHIA COLI. BIOCHEMISTRY V. 44 7115 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BDH A:393;
B:393;
 Valid;
Valid;
 none;
none;
 submit data
270.242 C10 H14 N4 O5 c1c([...
ZN A:391;
A:392;
B:391;
B:392;
 Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
 none;
none;
none;
none;
 submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1YBQ 2 Å EC: 3.4.19.- CRYSTAL STRUCTURE OF ESCHERICHIA COLI ISOASPARTYL DIPEPTIDAS D285N COMPLEXED WITH BETA-ASPARTYLHISTIDINE ESCHERICHIA COLI HYDROLASE DIPEPTIDASE
Ref.: MECHANISM OF THE REACTION CATALYZED BY ISOASPARTYL DIPEPTIDASE FROM ESCHERICHIA COLI. BIOCHEMISTRY V. 44 7115 2005
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1YBQ - BDH C10 H14 N4 O5 c1c([nH]cn....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1YBQ - BDH C10 H14 N4 O5 c1c([nH]cn....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1YBQ - BDH C10 H14 N4 O5 c1c([nH]cn....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: BDH; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 BDH 1 1
2 O77 0.557377 0.755102
3 O7J 0.430556 0.74
Similar Ligands (3D)
Ligand no: 1; Ligand: BDH; Similar ligands found: 2
No: Ligand Similarity coefficient
1 ASP PHE 0.9111
2 BPX 0.8961
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1YBQ; Ligand: BDH; 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: 1ybq.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1YBQ; Ligand: BDH; 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: 1ybq.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1YBQ; Ligand: BDH; 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: 1ybq.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1YBQ; Ligand: BDH; 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: 1ybq.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 1YBQ; Ligand: BDH; 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: 1ybq.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 1YBQ; Ligand: BDH; 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: 1ybq.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 1YBQ; Ligand: BDH; 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: 1ybq.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 1YBQ; Ligand: BDH; 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: 1ybq.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
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