Receptor
PDB id Resolution Class Description Source Keywords
2BHA 2.4 Å EC: 3.4.11.9 E. COLI AMINOPEPTIDASE P IN COMPLEX WITH SUBSTRATE ESCHERICHIA COLI HYDROLASE HYDROLASE-SUBSTRATE COMPLEX PROLINE-SPECIFIC PEPSUBSTRATE COMPLEX METALLOENZYME PITA-BREAD FOLD DINUCLEAHYDROLASE
Ref.: STRUCTURAL AND FUNCTIONAL IMPLICATIONS OF METAL ION SELECTION IN AMINOPEPTIDASE P, A METALLOPROTEASE WI DINUCLEAR METAL CENTER. BIOCHEMISTRY V. 44 13820 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FLC A:1005;
Invalid;
none;
submit data
189.1 C6 H5 O7 C(C(=...
MG A:1003;
Invalid;
none;
submit data
24.305 Mg [Mg+2...
VAL PRO LEU B:0;
Valid;
none;
submit data
327.425 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 (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: VAL PRO LEU; Similar ligands found: 35
No: Ligand ECFP6 Tc MDL keys Tc
1 VAL PRO LEU 1 1
2 ILE PRO ILE 0.544118 0.94
3 ALA PRO THR 0.538462 0.833333
4 VAL PRO LEU THR GLU ASP ALA GLU LEU 0.49505 0.859649
5 PRO THR PRO SER ALA PRO VAL PRO LEU 0.48913 0.803279
6 LYS PRO SEP GLN GLU LEU 0.483871 0.777778
7 LYS PRO LYS 0.48 0.882353
8 SER SER GLY LYS VAL PRO LEU 0.474227 0.844828
9 ALA VAL PRO ALA 0.465753 0.92
10 ALA VAL PRO ILE 0.454545 0.941176
11 TYR PRO TYR 0.45 0.775862
12 SER VAL PRO ILE 0.45 0.859649
13 ACE ALA PRO ALA 0.449275 0.88
14 VAL PRO PRO PRO VAL PRO PRO PRO PRO SER 0.447059 0.824561
15 ILE PRO LEU THR GLU GLU ALA GLU LEU 0.436893 0.844828
16 GLU PTR LEU GLY LEU ASP VAL PRO VAL 0.430233 0.942308
17 ACE PRO ALA PRO PHE 0.430233 0.821429
18 TYR MET ASP PHE ASP ASP ASP ILE PRO PHE 0.428571 0.923077
19 PRO GLY PRO LEU PRO ALA 0.422222 0.890909
20 VAL MET ALA PRO ARG ALA LEU LEU LEU 0.422018 0.777778
21 LYS LEU THR PRO LEU CYS VAL THR LEU 0.420561 0.830508
22 ACE PRO ALA PRO TYR 0.420455 0.766667
23 SER ALA GLU PRO VAL PRO LEU GLN LEU 0.416667 0.816667
24 THR PRO PRO SER PRO PHE 0.414894 0.754098
25 THR LYS PRO ARG 0.413793 0.789474
26 PTR VAL PRO MET LEU 0.411215 0.720588
27 ASP LEU PRO PHE 0.410526 0.907407
28 LEU PRO 0.409091 0.938776
29 BOC ALA ALA PRO GLU 0.409091 0.810345
30 SER SER GLY LYS VAL PRO LEU SER 0.403846 0.830508
31 ASN ARG PRO ILE LEU SER LEU 0.40367 0.742424
32 DPN PRO ARG 0.402174 0.775862
33 LEU ASP PRO ARG 0.402062 0.830508
34 ALA VAL PRO TRP 0.402062 0.842105
35 SER GLU CYS THR THR PRO CYS 0.4 0.783333
Similar Ligands (3D)
Ligand no: 1; Ligand: VAL PRO LEU; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
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