Receptor
PDB id Resolution Class Description Source Keywords
5XGX 2.33 Å EC: 3.4.19.- CRYSTAL STRUCTURE OF COLWELLIA PSYCHRERYTHRAEA STRAIN 34H IS DIPEPTIDASE E80Q MUTANT COMPLEXED WITH BETA-ISOASPARTYL LYS COLWELLIA PSYCHRERYTHRAEA (STRAIN 34H BAA-681) COLWELLIA PSYCHRERYTHRAEA ISOASPARTYL DIPEPTIDASE IADA BEISOASPARTYL LYSINE HYDROLASE
Ref.: CRYSTAL STRUCTURE AND FUNCTIONAL CHARACTERIZATION O ISOASPARTYL DIPEPTIDASE (CPSIADA) FROM COLWELLIA PSYCHRERYTHRAEA STRAIN 34H. PLOS ONE V. 12 81705 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ZN A:402;
A:401;
B:402;
B:401;
 Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
 none;
none;
none;
none;
 submit data
65.409 Zn [Zn+2...
DAS DLY A:403;
B:403;
 Valid;
Valid;
 none;
none;
 submit data
261.278 n/a O=C([...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5XGX 2.33 Å EC: 3.4.19.- CRYSTAL STRUCTURE OF COLWELLIA PSYCHRERYTHRAEA STRAIN 34H IS DIPEPTIDASE E80Q MUTANT COMPLEXED WITH BETA-ISOASPARTYL LYS COLWELLIA PSYCHRERYTHRAEA (STRAIN 34H BAA-681) COLWELLIA PSYCHRERYTHRAEA ISOASPARTYL DIPEPTIDASE IADA BEISOASPARTYL LYSINE HYDROLASE
Ref.: CRYSTAL STRUCTURE AND FUNCTIONAL CHARACTERIZATION O ISOASPARTYL DIPEPTIDASE (CPSIADA) FROM COLWELLIA PSYCHRERYTHRAEA STRAIN 34H. PLOS ONE V. 12 81705 2017
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 5XGX - DAS DLY n/a n/a
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 5XGX - DAS DLY n/a n/a
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1ONX - ASP C4 H7 N O4 C([C@@H](C....
2 5XGX - DAS DLY n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: DAS DLY; Similar ligands found: 28
No: Ligand ECFP6 Tc MDL keys Tc
1 DAS DLY 1 1
2 LYS GLY LYS 0.535714 0.853659
3 LYS LYS LYS 0.518519 0.804878
4 LYS CYS LYS 0.517857 0.809524
5 LYS DPP LYS 0.509091 0.878049
6 LYS ASP LYS 0.508772 0.853659
7 LYS ASN LYS 0.5 0.902439
8 LYS DAB LYS 0.5 0.853659
9 LYS SER LYS 0.491228 0.795455
10 ALA LYS 0.490196 0.756098
11 LYS NVA LYS 0.482759 0.75
12 LYS NLE LYS 0.474576 0.733333
13 LYS LYS 0.471698 0.780488
14 LYS ORN LYS 0.467742 0.767442
15 LYS LEU LYS 0.466667 0.733333
16 LYS GLU LYS 0.466667 0.829268
17 LYS ALA LYS 0.465517 0.785714
18 VAL LYS 0.462963 0.72093
19 LYS GLN LYS 0.459016 0.829268
20 LYS VAL LYS 0.45 0.75
21 LYS ALC LYS 0.447761 0.790698
22 LYS MET LYS 0.444444 0.702128
23 LEU LYS 0.438596 0.704545
24 GLN LYS 0.438596 0.85
25 LYS THR LYS 0.435484 0.777778
26 LYS ILE LYS 0.428571 0.733333
27 LYS LYS LYS ALA 0.42623 0.785714
28 LYS ARG LYS 0.41791 0.702128
Similar Ligands (3D)
Ligand no: 1; Ligand: DAS DLY; 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 : 5XGX; Ligand: DAS DLY; 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: 5xgx.bio2) has 20 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5XGX; Ligand: DAS DLY; 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: 5xgx.bio2) has 20 residues
No: Leader PDB Ligand Sequence Similarity
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