Receptor
PDB id Resolution Class Description Source Keywords
3CVN 2 Å NON-ENZYME: SIGNAL_HORMONE STRUCTURE OF PEROXISOMAL TARGETING SIGNAL 1 (PTS1) BINDING D TRYPANOSOMA BRUCEI PEROXIN 5 (TBPEX5)COMPLEXED TO T. BRUCEIG LYCERALDEHYDE-3-PHOSPHATE DEHYDROGENASE (GAPDH) PTS1 PEPTI 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
ARG ASP ARG ALA ALA LYS LEU B:3;
 Valid;
 none;
 submit data
558.705 n/a O=C([...
EDO A:1;
A:10;
A:11;
A:12;
A:13;
A:14;
A:15;
A:16;
A:17;
A:18;
A:19;
A:2;
A:20;
A:21;
A:22;
A:3;
A:5;
A:6;
A:7;
A:8;
A:9;
B:8;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
 submit data
62.068 C2 H6 O2 C(CO)...
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: ARG ASP ARG ALA ALA LYS LEU; Similar ligands found: 64
No: Ligand ECFP6 Tc MDL keys Tc
1 ARG ASP ARG ALA ALA LYS LEU 1 1
2 HIS GLU GLU LEU ALA LYS LEU 0.611765 0.829787
3 GLY THR LEU SER ASN ARG ALA SER LYS LEU 0.595238 0.764706
4 ALA ARG LYS LEU ASP 0.555556 0.958333
5 LYS ARG LYS ARG LYS ARG LYS ARG LYS ARG 0.534091 0.851064
6 ACE LYS ARG ARG LYS SEP VAL 0.515152 0.789474
7 LYS LYS ARG LEU SER VAL GLU 0.50505 0.882353
8 ACE CSO ARG ALA THR LYS MET LEU 0.504425 0.71875
9 LYS ARG LYS 0.494118 0.913043
10 VAL ALA ARG SER 0.488636 0.877551
11 ALA ARG ALA ALA ALA ALA ALA ALA ALA 0.482353 0.913043
12 GLU ALA GLN THR ARG LEU 0.476636 0.846154
13 ARG LEU PRO ALA LYS ALA PRO LEU LEU 0.475 0.754098
14 PHE ALN ARG ARG ARG ARG SLL ARG 00S 0.474227 0.769231
15 VAL LYS VAL VAL ALA LYS LYS TYR ARG ASN 0.472727 0.775862
16 GLY GLY LYS LYS ARG TYR LYS LEU 0.468468 0.821429
17 GLY GLY LYS LYS LYS TYR ARG LEU 0.468468 0.821429
18 GLY GLY ARG LYS LYS TYR LYS LEU 0.468468 0.821429
19 ACE GLU ALA GLN THR ARG LEU 0.46729 0.830189
20 ARG GLU 0.45679 0.851064
21 ARG GLN PRO ALA LYS ALA PRO LEU LEU 0.456 0.741935
22 VAL ARG SER ARG ARG CYS LEU ARG LEU 0.455446 0.849057
23 ARG ARG ALA ALA 0.454545 0.893617
24 ALA ARG THR M3L GLN THR ALA ALA LYS ALA 0.452174 0.741935
25 ARG VAL 0.448718 0.913043
26 PRO ALA ALA LYS ARG VAL LYS LEU ASP 0.447917 0.934783
27 VAL ARG SER ARG ARG ABA LEU ARG LEU 0.446602 0.849057
28 GLY ARG PHE ALA ALA ALA ILE ALA LYS 0.444444 0.865385
29 PAC DLY DLY DAR 0.443299 0.823529
30 LEU LYS 0.443038 0.804348
31 LYS ALA ALA ARG M3L SER ALA 0.440367 0.737705
32 ALA ARG TPO LYS 0.44 0.77193
33 LYS THR LYS LEU LEU 0.43617 0.784314
34 ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG 0.431818 0.829787
35 ARG ARG ARG ARG ARG ARG ARG ARG 0.431818 0.829787
36 MET ALA ARG 0.428571 0.86
37 LYS LYS 0.428571 0.76087
38 LEU LYS THR LYS LEU LEU 0.427083 0.784314
39 ALA GLU LYS ASP GLU LEU 0.425532 0.833333
40 SER ASP TYR GLN ARG LEU 0.422018 0.785714
41 THR ALA ARG M3L SER THR 0.421053 0.762712
42 ARG GLY ARG ALA 2MR GLY GLN GLU 0.418182 0.803922
43 ALA ARG 0.417722 0.869565
44 LYS ARG ARG LYS SEP VAL 0.417476 0.789474
45 ALA LYS ARG HIS ARG LYS VAL LEU ARG ASP 0.414634 0.8
46 ARG ARG ALA THR LYS MET NH2 0.414414 0.785714
47 ARG ARG LYS TRP ARG ARG TRP HIS LEU 0.414062 0.766667
48 TYR GLU LEU ASP GLU LYS PHE ASP ARG LEU 0.414062 0.779661
49 2UE DLY LYS DAR 0.413462 0.807692
50 LYS LEU LYS 0.411765 0.869565
51 SER GLU ILE GLU PHE ALA ARG LEU 0.41129 0.785714
52 THR ARG ARG GLU THR GLN LEU 0.411215 0.849057
53 LYS ALA LYS 0.409639 0.804348
54 ACE ALA ARG THR LYS GLN 0.407767 0.843137
55 SER SER ARG LYS GLU TYR TYR ALA 0.40708 0.77193
56 PHE ALA GLY LEU ARG GLN ALA VAL THR GLN 0.40708 0.830189
57 GLU LEU ARG ARG LYS MET MET TYR MET 0.406504 0.766667
58 ARG GLU ALA ALA 0.404255 0.893617
59 ALA ALA LEU THR ARG ALA 0.403846 0.843137
60 PRO LYS THR PRO LYS LYS ALA LYS LYS LEU 0.402299 0.826087
61 SER SER ILE GLU PHE ALA ARG LEU 0.401575 0.77193
62 ACE PHE LYS PHE TA2 ALA LEU ARG NH2 0.401575 0.775862
63 ILE LEU GLY LYS PHE LEU HIS ARG LEU 0.401515 0.766667
64 ARG ARG LYS TRP CIR ARG TRP HIS LEU 0.401515 0.754098
Similar Ligands (3D)
Ligand no: 1; Ligand: ARG ASP ARG ALA 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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