Receptor
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
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EDO A:1;
A:10;
A:11;
A:12;
A:2;
A:3;
A:4;
A:5;
A:6;
A:7;
A:8;
A:9;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
PHE ASN GLU LEU SER HIS LEU B:2;
Valid;
none;
submit data
666.733 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: PHE ASN GLU LEU SER HIS LEU; Similar ligands found: 56
No: Ligand ECFP6 Tc MDL keys Tc
1 PHE ASN GLU LEU SER HIS LEU 1 1
2 ACE SER HIS VAL ALA VAL GLU ASN ALA LEU 0.598214 0.963636
3 VAL LEU HIS ASP ASP LEU LEU GLU ALA 0.563107 0.87037
4 SER HIS VAL ALA VAL GLU ASN ALA LEU 0.556522 0.981481
5 SER ILE ILE GLN PHE GLU HIS LEU 0.537815 0.929825
6 LYS SER HIS GLN GLU 0.537736 0.875
7 ILE LEU ALA LYS PHE LEU HIS GLU LEU 0.53719 0.813559
8 ILE LEU MET GLU HIS ILE HIS LYS LEU 0.533333 0.774194
9 HIS SER LYS LYS LYS CYS ASP GLU LEU 0.521368 0.913793
10 ALA SER ASN GLU HIS MET GLU THR MET 0.508475 0.866667
11 HIS VAL ALA VAL GLU ASN ALA LEU 0.495652 0.90566
12 ACE LEU HIS SER TPO ALA NH2 0.481818 0.78125
13 ILE GLU GLU ALA LEU GLN ILE ILE HIS SER 0.48 0.927273
14 GLY ALA ARG ALA HIS SER SER 0.46087 0.822581
15 ACE ILE TYR GLU SER LEU 0.458716 0.758621
16 ACE PRO LEU HIS SER TPO 0.458333 0.689189
17 ALA ARG THR GLU LEU TYR ARG SER LEU 0.452381 0.723077
18 ARG VAL LYS GLU LYS TYR GLN HIS LEU TRP 0.452174 0.821429
19 LEU ALA SER LEU GLU SER GLN SER 0.446602 0.763636
20 ALA HIS HIS 0.444444 0.759259
21 PRO HIS THR ASN GLU THR SEP LEU 0.440298 0.791045
22 GLY SER HIS LEU GLU VAL GLN GLY TYR TRP 0.437086 0.84127
23 GLU LEU ASP HIS TRP ALA SER 0.435115 0.912281
24 THR SER ARG HIS LYS ALY LEU MET ALA 0.433824 0.764706
25 ILE LEU ALA LYS PHE LEU HIS THR LEU 0.431818 0.85
26 ARG ILE ILE PRO ARG HIS LEU GLN LEU 0.429577 0.685714
27 GLY HIS LYS ILE LEU HIS ARG LEU LEU GLN 0.427481 0.75
28 GLY SER SER HIS HIS HIS HIS HIS 0.425743 0.824561
29 ACE PRO LEU HIS SER TPO ALA NH2 0.425197 0.689189
30 ASP PHE GLN GLU SER ALA ASP SER PHE LEU 0.422764 0.775862
31 VAL GLU HIS SEP LEU ASP ASN LYS 0.421053 0.806452
32 GLY THR LEU SER ASN ARG ALA SER LYS LEU 0.42 0.732143
33 ILE LEU GLY LYS PHE LEU HIS ARG LEU 0.419118 0.738462
34 HIS LYS ILE LEU HIS ARG LEU LEU GLN GLU 0.41844 0.761905
35 VAL VAL SER HIS PHE ASN ASP 0.418033 0.910714
36 VAL GLU GLU ASP HIS VAL ALA HIS ALA 0.418033 0.836364
37 PRO GLU SEP LEU GLU SER CYS PHE 0.416667 0.6875
38 ARG ARG ARG TRP HIS ARG TRP ARG LEU 0.414062 0.723077
39 LYS ILE LEU HIS ARG LEU LEU GLN ASP 0.413043 0.790323
40 SER GLN TYR TYR TYR ASN SER LEU 0.412281 0.766667
41 SER HIS PHE ASN GLU TYR GLU 0.412214 0.803279
42 GLU LYS VAL HIS VAL GLN 0.411765 0.839286
43 LYS ILE LEU HIS ARG LEU LEU GLN ASP SER 0.409722 0.83871
44 ACE GLN LEU VAL THR SER LEU 0.409524 0.75
45 ABA SER LEU TRP ASN GLY PRO HIS LEU 0.409396 0.779412
46 LEU GLU LEU ASP LYS TRP ALA SER LEU 0.408759 0.833333
47 ARG ALA HIS SEP SER PRO ALA SER LEU GLN 0.408759 0.732394
48 PRO PRO THR LEU HIS GLU LEU TYR ASP LEU 0.408163 0.753623
49 HIS LYS LEU VAL GLN LEU LEU THR THR THR 0.408 0.896552
50 THR ASP HIS GLY ALA GLU 0.405172 0.862069
51 HIS LYS ILE LEU HIS ARG LEU LEU GLN ASP 0.404255 0.777778
52 LYS PRO HIS SER ASP 0.403226 0.765625
53 ACE PRO LEU HIS SER TPO MET NH2 0.402985 0.662338
54 HIS LEU TYR PHE SER SEP ASN 0.402985 0.764706
55 ARG ARG LYS TRP ARG ARG TRP HIS LEU 0.4 0.712121
56 ALA LYS ARG HIS ARG LYS VAL LEU ARG ASP 0.4 0.737705
Similar Ligands (3D)
Ligand no: 1; Ligand: PHE ASN GLU LEU SER HIS 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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