Receptor
PDB id Resolution Class Description Source Keywords
3CV0 2 Å NON-ENZYME: SIGNAL_HORMONE STRUCTURE OF PEROXISOMAL TARGETING SIGNAL 1 (PTS1) BINDING DOMAIN OF TRYPANOSOMA BRUCEI PEROXIN 5 (TBPEX5)COMPLEXED T O T. BRUCEI PHOSPHOGLUCOISOMERASE (PGI) PTS1 PEPTIDE TRYPANOSOMA BRUCEI TPR MOTIFS TPR PROTEIN PEROXIN 5 PEX5 PTS1 BINDING DOMAIN PROTEIN-PEPTIDE COMPLEX RECEPTOR TPR REPEAT TRANSPORT PROTEIN
Ref.: STRUCTURAL INSIGHTS INTO THE RECOGNITION OF PEROXISOMAL 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
667.741 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 DOMAIN OF TRYPANOSOMA BRUCEI PEROXIN 5 (TBPEX5)COMPLEXED T O T. BRUCEI PHOSPHOGLUCOISOMERASE (PGI) PTS1 PEPTIDE TRYPANOSOMA BRUCEI TPR MOTIFS TPR PROTEIN PEROXIN 5 PEX5 PTS1 BINDING DOMAIN PROTEIN-PEPTIDE COMPLEX RECEPTOR TPR REPEAT TRANSPORT PROTEIN
Ref.: STRUCTURAL INSIGHTS INTO THE RECOGNITION OF PEROXISOMAL 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 263 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 196 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 171 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
Ligand no: 1; Ligand: PHE ASN GLU LEU SER HIS LEU; Similar ligands found: 73
No: Ligand ECFP6 Tc MDL keys Tc
1 PHE ASN GLU LEU SER HIS LEU 1 1
2 VAL LEU HIS ASP ASP LEU LEU GLU ALA 0.594059 0.867925
3 ALA SER ASN GLU HIS MET GLU THR MET 0.575221 0.85
4 LYS SER HIS GLN GLU 0.572816 0.857143
5 ILE LEU ALA LYS PHE LEU HIS GLU LEU 0.563025 0.793103
6 SER HIS VAL ALA VAL GLU ASN ALA LEU 0.561404 0.962963
7 HIS SER LYS LYS LYS CYS ASP GLU LEU 0.557522 0.912281
8 ALA HIS HIS 0.547619 0.754717
9 ILE LEU MET GLU HIS ILE HIS LYS LEU 0.546219 0.754098
10 ALA ARG THR GLU LEU TYR ARG SER LEU 0.533898 0.707692
11 ASP ALA GLU PHE ARG HIS ASP 0.522124 0.725806
12 ACE SER HIS VAL ALA VAL GLU ASN ALA LEU 0.512397 0.945455
13 HIS VAL ALA VAL GLU ASN ALA LEU 0.508772 0.886792
14 LYS ILE LEU HIS ARG LEU LEU GLN ASP 0.508475 0.770492
15 ALA LYS ARG HIS ARG MLY VAL LEU ARG ASP 0.495868 0.695652
16 ALA LYS ARG HIS ARG LYS VAL LEU ARG ASP 0.487603 0.774194
17 SER HIS MET ALA GLU ILE 0.482759 0.87931
18 ACE ILE TYR GLU SER LEU 0.476636 0.77193
19 GLY SER SER HIS HIS HIS HIS HIS 0.474227 0.839286
20 GLU ASP GLU ASP PHE GLU ILE LEU SER LEU 0.467213 0.785714
21 LEU ALA SER LEU GLU SER GLN SER 0.465347 0.745455
22 GLU LEU ASP HIS TRP ALA SER 0.464567 0.910714
23 ALA ALA SER LEU TYR GLU LYS LYS ALA ALA 0.457627 0.762712
24 GLY ALA ARG ALA HIS SER SER 0.45614 0.806452
25 ALA HIS ALA 0.455556 0.730769
26 THR SER ARG HIS LYS ALY LEU MET ALA 0.454545 0.75
27 ILE LEU ALA LYS PHE LEU HIS THR LEU 0.453846 0.830508
28 GLY SER HIS LEU GLU VAL GLN GLY TYR TRP 0.452703 0.825397
29 ALA LYS PHE ARG HIS ASP 0.449153 0.714286
30 ARG ALA HIS SEP SER PRO ALA SER LEU GLN 0.447761 0.728571
31 ACE PRO LEU HIS SER TPO 0.446281 0.69863
32 LEU GLU LEU ASP LYS TRP ALA SER LEU 0.446154 0.830508
33 ARG HIS ARG MLY VAL LEU ARG ASP ASN 0.446154 0.710145
34 SER HIS PHE ASN GLU TYR GLU 0.445312 0.786885
35 ILE LEU GLY LYS PHE LEU HIS ARG LEU 0.443609 0.723077
36 SER GLN TYR TYR TYR ASN SER LEU 0.441441 0.75
37 GLY HIS LYS ILE LEU HIS ARG LEU LEU GLN 0.440945 0.734375
38 ARG ARG ARG TRP HIS ARG TRP ARG LEU 0.439024 0.707692
39 GLU LYS VAL HIS VAL GLN 0.438596 0.803571
40 THR ASP HIS GLY ALA GLU 0.438596 0.859649
41 HIS LYS ILE LEU HIS ARG LEU LEU GLN GLU 0.437956 0.746032
42 ARG ARG LYS TRP ARG ARG TRP HIS LEU 0.436508 0.69697
43 GLY THR LEU SER ASN ARG ALA SER LYS LEU 0.43299 0.727273
44 LYS HIS LYS 0.43299 0.745455
45 ASP ALA ASP GLU TYR LEU 0.432432 0.684211
46 ARG HIS ARG MLY VAL LEU ARG ASP TYR 0.431655 0.662162
47 ACE VAL LYS GLU SER LEU VAL 0.429907 0.745455
48 LYS PRO HIS SER ASP 0.429752 0.761905
49 VAL VAL SER HIS PHE ASN ASP 0.429752 0.892857
50 HIS LYS LEU VAL GLN LEU LEU THR THR THR 0.429752 0.862069
51 LYS ILE LEU HIS ARG LEU LEU GLN ASP SER 0.428571 0.822581
52 ALA ILE HIS 0.427083 0.792453
53 ALA HIS ALA LYS ALA 0.424528 0.745455
54 ARG ILE ILE PRO ARG HIS LEU GLN LEU 0.423611 0.671429
55 SER HIS LYS ILE ASP ASN LEU ASP 0.423077 0.896552
56 ALA LEU PRO HIS ALA ILE LEU ARG LEU 0.421429 0.666667
57 ACE PRO LEU HIS SER TPO ALA NH2 0.420635 0.684932
58 HIS LYS ILE LEU HIS ARG LEU LEU GLN ASP 0.42029 0.761905
59 ACE PRO LEU HIS SER TPO MET NH2 0.419847 0.657895
60 ABA SER LEU TRP ASN GLY PRO HIS LEU 0.416107 0.764706
61 ACE LEU HIS SER TPO ALA NH2 0.415254 0.777778
62 2X0 7GA LYS HIS HIS ALA PHE SER PHE LYN 0.414286 0.761194
63 PRO GLU SEP LEU GLU SER CYS PHE 0.413223 0.68254
64 GLN GLY HIS GLY GLU 0.411215 0.767857
65 TRP GLU GLU LEU 0.411215 0.75
66 ALA TRP LEU PHE GLU ALA 0.409836 0.75
67 SER SER LEU GLU ASN PHE ALA ALA TYR VAL 0.406015 0.75
68 ASP HIS ASP ALA HIS ALA 0.40566 0.796296
69 PRO HIS LEU SER PHE MET ALA HIS 0.404255 0.822581
70 VAL ARG SER ARG ARG CYS LEU ARG LEU 0.40367 0.677419
71 GLU LEU GLU LYS TRP ALA SER 0.4 0.827586
72 ASP ALA GLU PHE ARG HIS ASP SER 0.4 0.725806
73 HCI PRO LEU HIS SER TPO ALA NH2 0.4 0.69863
Similar Binding Sites (Proteins are less than 50% similar to leader)
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