Receptor
PDB id Resolution Class Description Source Keywords
1A16 2.3 Å EC: 3.4.11.9 AMINOPEPTIDASE P FROM E. COLI WITH THE INHIBITOR PRO-LEU ESCHERICHIA COLI PROLINE PEPTIDASE-DIPEPTIDE INHIBITOR COMPLEX HYDROLASE-HYDINHIBITOR COMPLEX
Ref.: STRUCTURE AND MECHANISM OF A PROLINE-SPECIFIC AMINO FROM ESCHERICHIA COLI. PROC.NATL.ACAD.SCI.USA V. 95 3472 1998
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MN A:443;
A:444;
Part of Protein;
Part of Protein;
none;
none;
submit data
54.938 Mn [Mn+2...
PRO LEU A:441;
Valid;
none;
submit data
228.292 n/a O=C([...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1N51 2.3 Å EC: 3.4.11.9 AMINOPEPTIDASE P IN COMPLEX WITH THE INHIBITOR APSTATIN ESCHERICHIA COLI AMINOPEPTIDASE PROLINE SPECIFIC MANGANESE ENZYME HYDROLASHYDROLASE INHIBITOR COMPLEX
Ref.: STRUCTURE OF ESCHERICHIA COLI AMINOPEPTIDASE P IN C WITH THE INHIBITOR APSTATIN. ACTA CRYSTALLOGR.,SECT.D V. 60 1770 2004
Members (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2BHA - VAL PRO LEU n/a n/a
2 2V3X - VAL PRO LEU n/a n/a
3 2BHD - VAL PRO LEU n/a n/a
4 2BN7 - PRO LEU n/a n/a
5 1W7V - VAL PRO LEU n/a n/a
6 1A16 - PRO LEU n/a n/a
7 1N51 Ki = 14 uM 01B PRO PRO ALA NH2 n/a n/a
8 2BH3 - PRO LEU n/a n/a
9 2V3Z - VAL PRO LEU n/a n/a
10 2V3Y - VAL PRO LEU n/a n/a
70% Homology Family (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2BHA - VAL PRO LEU n/a n/a
2 2V3X - VAL PRO LEU n/a n/a
3 2BHD - VAL PRO LEU n/a n/a
4 2BN7 - PRO LEU n/a n/a
5 1W7V - VAL PRO LEU n/a n/a
6 1A16 - PRO LEU n/a n/a
7 1N51 Ki = 14 uM 01B PRO PRO ALA NH2 n/a n/a
8 2BH3 - PRO LEU n/a n/a
9 2V3Z - VAL PRO LEU n/a n/a
10 2V3Y - VAL PRO LEU n/a n/a
50% Homology Family (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2BHA - VAL PRO LEU n/a n/a
2 2V3X - VAL PRO LEU n/a n/a
3 2BHD - VAL PRO LEU n/a n/a
4 2BN7 - PRO LEU n/a n/a
5 1W7V - VAL PRO LEU n/a n/a
6 1A16 - PRO LEU n/a n/a
7 1N51 Ki = 14 uM 01B PRO PRO ALA NH2 n/a n/a
8 2BH3 - PRO LEU n/a n/a
9 2V3Z - VAL PRO LEU n/a n/a
10 2V3Y - VAL PRO LEU n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PRO LEU; Similar ligands found: 10
No: Ligand ECFP6 Tc MDL keys Tc
1 VAL PRO LEU 1 1
2 PRO LEU 1 1
3 PRO LEU GLY GLY 0.590164 0.888889
4 PRO LEU GLY HOA 0.540984 0.678571
5 PRO ILE VAL 0.47619 0.886364
6 PRO GLY ALA 0.474576 0.804348
7 THR PRO ASP TYR PHE LEU 0.458824 0.740741
8 PRO THR PRO SER ALA PRO VAL PRO LEU 0.428571 0.666667
9 IP8 GLY PRO ALA 0.418919 0.672414
10 PRO ILE VAL NH2 0.409091 0.840909
Similar Binding Sites (Proteins are less than 50% similar to leader)
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