Receptor
PDB id Resolution Class Description Source Keywords
3AHO 1.88 Å EC: 7.-.-.- PZ PEPTIDASE A WITH INHIBITOR 2 GEOBACILLUS SP. MO-1 HYDROLASE HYDROLASE-HYDROLASE INHIBITOR COMPLEX
Ref.: THE EXQUISITE STRUCTURE AND REACTION MECHANISM OF B PZ-PEPTIDASE A TOWARD COLLAGENOUS PEPTIDES: X-RAY CRYSTALLOGRAPHIC STRUCTURE ANALYSIS OF PZ-PEPTIDASE REVEALS DIFFERENCES FROM MAMMALIAN THIMET OLIGOPEPT J.BIOL.CHEM. V. 285 34972 2
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
3A2 A:566;
B:566;
Valid;
Valid;
none;
none;
Ki = 88.9 nM
621.662 C29 H44 N5 O8 P CCCCC...
ACT A:567;
A:568;
A:569;
B:567;
B:568;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
submit data
59.044 C2 H3 O2 CC(=O...
ZN A:565;
B:565;
Part of Protein;
Part of Protein;
none;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3AHO 1.88 Å EC: 7.-.-.- PZ PEPTIDASE A WITH INHIBITOR 2 GEOBACILLUS SP. MO-1 HYDROLASE HYDROLASE-HYDROLASE INHIBITOR COMPLEX
Ref.: THE EXQUISITE STRUCTURE AND REACTION MECHANISM OF B PZ-PEPTIDASE A TOWARD COLLAGENOUS PEPTIDES: X-RAY CRYSTALLOGRAPHIC STRUCTURE ANALYSIS OF PZ-PEPTIDASE REVEALS DIFFERENCES FROM MAMMALIAN THIMET OLIGOPEPT J.BIOL.CHEM. V. 285 34972 2
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 293 families.
1 3AHO Ki = 88.9 nM 3A2 C29 H44 N5 O8 P CCCCC(C(=O....
2 3AHN Ki = 90.1 nM 3A1 C29 H41 N4 O8 P C[C@H](C[P....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 250 families.
1 3AHO Ki = 88.9 nM 3A2 C29 H44 N5 O8 P CCCCC(C(=O....
2 3AHN Ki = 90.1 nM 3A1 C29 H41 N4 O8 P C[C@H](C[P....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 204 families.
1 3AHO Ki = 88.9 nM 3A2 C29 H44 N5 O8 P CCCCC(C(=O....
2 3AHN Ki = 90.1 nM 3A1 C29 H41 N4 O8 P C[C@H](C[P....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 3A2; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 3A2 1 1
2 DPN PRO ARG 0.401709 0.681159
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3AHO; Ligand: 3A2; 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: 3aho.bio1) has 26 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3AHO; Ligand: 3A2; 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: 3aho.bio2) has 28 residues
No: Leader PDB Ligand Sequence Similarity
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