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
n/a n/a
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 (13)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 5WZE - PRO C5 H9 N O2 C1C[C@H](N....
2 2V3X - VAL PRO LEU n/a n/a
3 2BHD - VAL PRO LEU n/a n/a
4 1A16 - PRO LEU n/a n/a
5 1N51 Ki = 14 uM 01B PRO PRO ALA NH2 n/a n/a
6 2BH3 - PRO LEU n/a n/a
7 2V3Y - VAL PRO LEU n/a n/a
8 2BHA - VAL PRO LEU n/a n/a
9 2BN7 - PRO LEU n/a n/a
10 1W7V - VAL PRO LEU n/a n/a
11 2V3Z - VAL PRO LEU n/a n/a
12 6A9T - GLY C2 H5 N O2 C(C(=O)O)N
13 6A9U - 01B PRO PRO ALA NH2 n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: PRO LEU; Similar ligands found: 0
No: Ligand ECFP6 Tc MDL keys Tc
Similar Ligands (3D)
Ligand no: 1; Ligand: PRO LEU; Similar ligands found: 30
No: Ligand Similarity coefficient
1 PRO LEU 1.0000
2 ALA LEU 0.9292
3 RDM 0.9099
4 PAL 0.9084
5 6PR 0.9051
6 AAG 0.8993
7 C4L 0.8913
8 6FR 0.8874
9 GLY LEU 0.8820
10 SUO 0.8801
11 2D2 0.8759
12 TCO 0.8752
13 78Y 0.8745
14 SN0 0.8740
15 RBV 0.8728
16 VAL VAL 0.8714
17 MMJ 0.8704
18 MN9 0.8682
19 TH4 0.8681
20 4FF 0.8660
21 X6W 0.8656
22 1BY 0.8641
23 ALA GLN 0.8633
24 ADN 0.8603
25 UN3 0.8583
26 RDV 0.8580
27 JGM 0.8578
28 MUK 0.8575
29 SMG 0.8568
30 AEP 0.8556
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
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