Receptor
PDB id Resolution Class Description Source Keywords
2HU8 2.4 Å EC: 3.4.19.1 BINDING OF INHIBITORS BY ACYLAMINOACYL PEPTIDASE AEROPYRUM PERNIX ALPHA/BETA HYDROLASE BETA-PROPELLER ENZYME-INHIBITOR COMPLHYDROLASE
Ref.: THE ACYLAMINOACYL PEPTIDASE FROM AEROPYRUM PERNIX K TO BE AN EXOPEPTIDASE DISPLAYS ENDOPEPTIDASE ACTIVI J.MOL.BIOL. V. 368 509 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BE2 GLY PHE A:1001;
B:2001;
Valid;
Valid;
none;
none;
submit data
n/a n/a
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2HU5 2 Å EC: 3.4.19.1 BINDING OF INHIBITORS BY ACYLAMINOACYL-PEPTIDASE AEROPYRUM PERNIX ALPHA/BETA HYDROLASE BETA-PROPELLER ENZYME-INHIBITOR COMPLHYDROLASE
Ref.: THE ACYLAMINOACYL PEPTIDASE FROM AEROPYRUM PERNIX K TO BE AN EXOPEPTIDASE DISPLAYS ENDOPEPTIDASE ACTIVI J.MOL.BIOL. V. 368 509 2007
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2HU8 - BE2 GLY PHE n/a n/a
2 2HU5 - GLY PHE n/a n/a
3 2HU7 - ACE PHE n/a n/a
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2HU8 - BE2 GLY PHE n/a n/a
2 2HU5 - GLY PHE n/a n/a
3 2HU7 - ACE PHE n/a n/a
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2HU8 - BE2 GLY PHE n/a n/a
2 2HU5 - GLY PHE n/a n/a
3 2HU7 - ACE PHE n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: BE2 GLY PHE; Similar ligands found: 0
No: Ligand ECFP6 Tc MDL keys Tc
Similar Ligands (3D)
Ligand no: 1; Ligand: BE2 GLY PHE; Similar ligands found: 1
No: Ligand Similarity coefficient
1 BE2 GLY PHE 1.0000
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2HU5; Ligand: GLY PHE; 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: 2hu5.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2HU5; Ligand: GLY PHE; 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: 2hu5.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
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