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 2V3X - VAL PRO LEU n/a n/a
2 2BHD - VAL PRO LEU n/a n/a
3 1A16 - PRO LEU n/a n/a
4 1N51 Ki = 14 uM 01B PRO PRO ALA NH2 n/a n/a
5 2BH3 - PRO LEU n/a n/a
6 2V3Y - VAL PRO LEU n/a n/a
7 2BHA - VAL PRO LEU n/a n/a
8 2BN7 - PRO LEU n/a n/a
9 1W7V - VAL PRO LEU n/a n/a
10 2V3Z - 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 2V3X - VAL PRO LEU n/a n/a
2 2BHD - VAL PRO LEU n/a n/a
3 1A16 - PRO LEU n/a n/a
4 1N51 Ki = 14 uM 01B PRO PRO ALA NH2 n/a n/a
5 2BH3 - PRO LEU n/a n/a
6 2V3Y - VAL PRO LEU n/a n/a
7 2BHA - VAL PRO LEU n/a n/a
8 2BN7 - PRO LEU n/a n/a
9 1W7V - VAL PRO LEU n/a n/a
10 2V3Z - 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 2V3X - VAL PRO LEU n/a n/a
2 2BHD - VAL PRO LEU n/a n/a
3 1A16 - PRO LEU n/a n/a
4 1N51 Ki = 14 uM 01B PRO PRO ALA NH2 n/a n/a
5 2BH3 - PRO LEU n/a n/a
6 2V3Y - VAL PRO LEU n/a n/a
7 2BHA - VAL PRO LEU n/a n/a
8 2BN7 - PRO LEU n/a n/a
9 1W7V - VAL PRO LEU n/a n/a
10 2V3Z - VAL PRO LEU n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PRO LEU; Similar ligands found: 11
No: Ligand ECFP6 Tc MDL keys Tc
1 PRO LEU 1 1
2 VAL PRO LEU 1 1
3 PRO LEU GLY GLY 0.590164 0.888889
4 PRO LEU GLY HOA 0.540984 0.678571
5 PRO LEU SER LYS 0.528571 0.8
6 PRO ILE VAL 0.47619 0.886364
7 PRO GLY ALA 0.474576 0.804348
8 THR PRO ASP TYR PHE LEU 0.458824 0.740741
9 PRO THR PRO SER ALA PRO VAL PRO LEU 0.428571 0.666667
10 IP8 GLY PRO ALA 0.418919 0.672414
11 PRO ILE VAL NH2 0.409091 0.840909
Similar Binding Sites (Proteins are less than 50% similar to leader)
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