Receptor
PDB id Resolution Class Description Source Keywords
3CVL 2.15 Å NON-ENZYME: SIGNAL_HORMONE STRUCTURE OF PEROXISOMAL TARGETING SIGNAL 1 (PTS1) BINDING D TRYPANOSOMA BRUCEI PEROXIN 5 (TBPEX5)COMPLEXED TO T. BRUCEIP HOSPHOFRUCTOKINASE (PFK) PTS1 PEPTIDE TRYPANOSOMA BRUCEI TPR MOTIFS TPR PROTEIN PEROXIN 5 PEX5 PTS1 BINDING DOMAIPROTEIN-PEPTIDE COMPLEX RECEPTOR TPR REPEAT TRANSPORT PR
Ref.: STRUCTURAL INSIGHTS INTO THE RECOGNITION OF PEROXIS TARGETING SIGNAL 1 BY TRYPANOSOMA BRUCEI PEROXIN 5. J.MOL.BIOL. V. 381 867 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
HIS GLU GLU LEU ALA LYS LEU B:3;
 Valid;
 none;
 submit data
571.696 n/a O=C([...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3CV0 2 Å NON-ENZYME: SIGNAL_HORMONE STRUCTURE OF PEROXISOMAL TARGETING SIGNAL 1 (PTS1) BINDING D TRYPANOSOMA BRUCEI PEROXIN 5 (TBPEX5)COMPLEXED TO T. BRUCEIP HOSPHOGLUCOISOMERASE (PGI) PTS1 PEPTIDE TRYPANOSOMA BRUCEI TPR MOTIFS TPR PROTEIN PEROXIN 5 PEX5 PTS1 BINDING DOMAIPROTEIN-PEPTIDE COMPLEX RECEPTOR TPR REPEAT TRANSPORT PR
Ref.: STRUCTURAL INSIGHTS INTO THE RECOGNITION OF PEROXIS TARGETING SIGNAL 1 BY TRYPANOSOMA BRUCEI PEROXIN 5. J.MOL.BIOL. V. 381 867 2008
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 289 families.
1 3CV0 - PHE ASN GLU LEU SER HIS LEU n/a n/a
2 3CVL - HIS GLU GLU LEU ALA LYS LEU n/a n/a
3 3CVP - GLY THR LEU SER ASN ARG ALA SER LYS LEU n/a n/a
4 3CVN - ARG ASP ARG ALA ALA LYS LEU n/a n/a
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 214 families.
1 3CV0 - PHE ASN GLU LEU SER HIS LEU n/a n/a
2 3CVL - HIS GLU GLU LEU ALA LYS LEU n/a n/a
3 3CVP - GLY THR LEU SER ASN ARG ALA SER LYS LEU n/a n/a
4 3CVN - ARG ASP ARG ALA ALA LYS LEU n/a n/a
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 181 families.
1 3CV0 - PHE ASN GLU LEU SER HIS LEU n/a n/a
2 3CVL - HIS GLU GLU LEU ALA LYS LEU n/a n/a
3 3CVP - GLY THR LEU SER ASN ARG ALA SER LYS LEU n/a n/a
4 3CVN - ARG ASP ARG ALA ALA LYS LEU n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: HIS GLU GLU LEU ALA LYS LEU; Similar ligands found: 47
No: Ligand ECFP6 Tc MDL keys Tc
1 HIS GLU GLU LEU ALA LYS LEU 1 1
2 ARG ASP ARG ALA ALA LYS LEU 0.611765 0.829787
3 GLY THR LEU SER ASN ARG ALA SER LYS LEU 0.592593 0.866667
4 SER SER ARG THR ARG ARG GLU GLU GLN LEU 0.589041 0.9
5 ALA GLU LYS ASP GLU LEU 0.517647 0.952381
6 LYS THR LYS LEU LEU 0.494253 0.847826
7 GLN LYS 0.493151 0.9
8 ALA LEU ALA LEU 0.493151 0.8
9 SER SER ARG THR ARG ARG GLU TPO GLN LEU 0.488889 0.692308
10 LEU LYS THR LYS LEU LEU 0.483146 0.847826
11 SER GLN LEU LYS ASN ASN ALA LYS GLU ILE 0.481132 0.8
12 ILE LEU ALA LYS PHE LEU HIS GLU LEU 0.478632 0.740741
13 LYS LEU LYS 0.455696 0.951219
14 LEU LYS 0.453333 0.925
15 GLU LEU ASP LYS TYR ALA SER 0.441441 0.769231
16 ASP GLU LEU GLU ILE LYS ALA TYR 0.439655 0.784314
17 ILE LEU ASN ALA MET ILE ALA LYS ILE 0.439252 0.833333
18 LYS ASN LEU 0.439024 0.930233
19 ALA ARG LYS LEU ASP 0.43617 0.833333
20 PHE LEU GLU LYS 0.43299 0.930233
21 GLU LEU ASP LYS TRP ALA ASN 0.429752 0.727273
22 LEU GLU LEU ASP LYS TRP ALA SER LEU 0.428571 0.701754
23 LYS ARG GLU ALA ILE VAL LYS ALA ASP GLU 0.424528 0.930233
24 GLY ALA ASP GLY VAL GLY LYS SER ALA LEU 0.423423 0.833333
25 TYR GLN SER LYS LEU 0.421569 0.769231
26 ACE GLU ALA GLN THR ARG LEU 0.420561 0.75
27 GLU LEU GLU LYS TRP ALA SER 0.420168 0.727273
28 LYS LYS 0.418919 0.829268
29 ACE VAL LYS GLU SER LEU VAL 0.418367 0.888889
30 LYS ALA LYS 0.417722 0.878049
31 GLU ALA GLN THR ARG LEU 0.416667 0.764706
32 LEU ALA SER LEU GLU SER GLN SER 0.416667 0.826087
33 ILE LEU ASN ALA MET ILE VAL LYS ILE 0.415929 0.833333
34 ALA LYS ALA ALA 0.414634 0.875
35 SER LEU LEU LYS LYS LEU LEU ASP 0.413043 0.851064
36 ALA ALA SER LEU TYR GLU LYS LYS ALA ALA 0.412281 0.754717
37 ILE LEU ASN ALA MET ILE THR LYS ILE 0.412281 0.769231
38 PHE LEU ALA TYR LYS 0.411215 0.78
39 SER ALA LYS ILE ASP ASN LEU ASP 0.410714 0.816327
40 GLU LEU ASP LYS TRP ALA SER 0.409836 0.714286
41 PRO LYS THR PRO LYS LYS ALA LYS LYS LEU 0.409639 0.902439
42 DLE DLY DAL DLE DLY DLY DLE DAL ZDC 0.409524 0.684211
43 ILE LEU ALA LYS PHE LEU HIS THR LEU 0.408 0.661017
44 LYS LYS LYS ALA 0.407407 0.878049
45 ALA LYS ALA SER GLN ALA ALA 0.40625 0.822222
46 ASN LEU LEU GLN LYS LYS 0.402062 0.863636
47 LEU LEU LEU 0.4 0.8
Similar Ligands (3D)
Ligand no: 1; Ligand: HIS GLU GLU LEU ALA LYS 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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