Receptor
PDB id Resolution Class Description Source Keywords
3CVN 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 GLYCERALDEHYDE-3-PHOSPHATE DEHYDROGENASE (G APDH) 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
ARG ASP ARG ALA ALA LYS LEU B:3;
Valid;
none;
submit data
559.713 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 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: ARG ASP ARG ALA ALA LYS LEU; Similar ligands found: 104
No: Ligand ECFP6 Tc MDL keys Tc
1 ARG ASP ARG ALA ALA LYS LEU 1 1
2 ALA ARG LYS LEU ASP 0.670886 0.958333
3 HIS GLU GLU LEU ALA LYS LEU 0.620253 0.787234
4 ARG ARG ALA ALA 0.605263 0.893617
5 LYS ARG LYS ARG LYS ARG LYS ARG LYS ARG 0.592105 0.893617
6 GLY THR LEU SER ASN ARG ALA SER LYS LEU 0.5875 0.745098
7 LYS ARG LYS 0.586667 0.913043
8 GLU ALA GLN THR ARG LEU 0.572917 0.846154
9 LYS ALA LYS 0.541667 0.76087
10 LYS ALA ALA ARG M3L SER ALA 0.540816 0.737705
11 ARG GLU ALA ALA 0.536585 0.893617
12 LYS THR LYS LEU LEU 0.535714 0.745098
13 ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG 0.533333 0.87234
14 LYS ASN LEU 0.519481 0.76
15 MET ALA ARG 0.518519 0.86
16 LYS ARG LYS ARG LYS ARG LYS ARG 0.518072 0.851064
17 LYS LEU LYS 0.506667 0.826087
18 ARG LEU GLY GLU SER 0.506329 0.854167
19 VAL ALA ARG SER 0.506024 0.877551
20 ARG ARG ALA THR LYS MET NH2 0.50505 0.785714
21 ALA ARG ALA ALA ALA ALA ALA ALA ALA 0.5 0.913043
22 ARG ARG LYS TRP ARG ARG TRP HIS LEU 0.495575 0.766667
23 ARG ALA ARG 0.493671 0.808511
24 LYS LYS LYS ALA 0.493333 0.76087
25 ALA PRO ALA LEU ARG VAL VAL LYS 0.483871 1
26 PHE GLU ALA LYS LYS LEU VAL 0.482353 0.826087
27 ACE CSO ARG ALA THR LYS MET LEU 0.482143 0.71875
28 LYS LYS LYS 0.479452 0.73913
29 LEU LYS THR LYS LEU LEU 0.47191 0.745098
30 VAL ARG SER ARG ARG CYS LEU ARG LEU 0.46875 0.849057
31 ARG ASP 0.466667 0.8125
32 ARG ARG ARG ARG ARG ARG ARG ARG 0.463415 0.829787
33 ARG SER ARG 0.4625 0.769231
34 GLY GLY ARG LYS LYS TYR LYS LEU 0.462264 0.821429
35 VAL LYS VAL VAL ALA LYS LYS TYR ARG ASN 0.462264 0.775862
36 GLY GLY LYS LYS ARG TYR LYS LEU 0.462264 0.821429
37 GLY GLY LYS LYS LYS TYR ARG LEU 0.462264 0.821429
38 ARG ARG ARG TRP HIS ARG TRP ARG LEU 0.460177 0.75
39 VAL ARG SER ARG ARG ABA LEU ARG LEU 0.459184 0.849057
40 GLN LEU ALA THR M3L ALA ALA ARG LYS SER 0.456897 0.725806
41 ARG GLU 0.454545 0.829787
42 ARG ARG GLY LEU NH2 0.449438 0.857143
43 ARG LEU GLN ARG ARG ARG GLU THR GLN VAL 0.447619 0.849057
44 ARG VAL 0.447368 0.891304
45 SER GLU ILE GLU PHE ALA ARG LEU 0.444444 0.785714
46 PRO ALA ALA LYS ARG VAL LYS LEU ASP 0.444444 0.934783
47 LYS NLE LYS 0.443038 0.75
48 GLU LEU ARG ARG LYS MET MET TYR MET 0.442478 0.766667
49 THR ALA ARG M3L SER THR 0.43956 0.762712
50 SER ASP TYR GLN ARG LEU 0.438095 0.785714
51 ARG ARG LEU ILE PHE NH2 0.438095 0.823529
52 ARG VAL ALA GLN LEU GLU GLN VAL TYR ILE 0.438017 0.785714
53 ALA ARG THR M3L GLN THR ALA ALA LYS ALA 0.4375 0.741935
54 TYR GLU LEU ASP GLU LYS PHE ASP ARG LEU 0.434426 0.779661
55 LYS DAB LYS 0.434211 0.723404
56 GLN ARG ALA THR LYS MET NH2 0.433962 0.785714
57 ARG LEU TRP SER 0.433962 0.733333
58 LYS ALA SER VAL GLY 0.433333 0.711538
59 SER SER ILE GLU PHE ALA ARG LEU 0.433333 0.77193
60 ALA ARG THR MLZ GLN THR ALA ARG LYS 0.432432 0.789474
61 LYS NVA LYS 0.43038 0.765957
62 GLY ARG PHE ALA ALA ALA ILE ALA LYS 0.428571 0.865385
63 ALA LEU ALA LEU 0.428571 0.673913
64 SER GLU LEU GLU ILE LYS ARG TYR 0.428571 0.766667
65 THR GLY 2MR ALA ARG ALA ARG ALA 0.427083 0.843137
66 LYS ARG HIS ARG MLY VAL LEU ARG ASP ASN 0.426829 0.735849
67 MET ABA LEU ARG MET THR ALA VAL MET 0.424779 0.803571
68 ARG PRO LYS ARG ILE ALA 0.424779 0.75
69 ARG ASP ALA ALA 0.423529 0.854167
70 GLU LEU LYS TPO GLU ARG TYR 0.421488 0.707692
71 ALA ALA LEU THR ARG ALA 0.42 0.843137
72 LYS GLN LYS 0.419753 0.744681
73 TYR GLN SER LYS LEU 0.417476 0.661017
74 THR ARG ARG GLU THR GLN LEU 0.417476 0.849057
75 LYS LYS 0.416667 0.673913
76 ALA ARG TPO LYS 0.416667 0.77193
77 ARG ARG LYS TRP CIR ARG TRP HIS LEU 0.416058 0.754098
78 ARG ARG ILE TYR ASP LEU ILE GLU LEU 0.414634 0.775862
79 ASN PRO ARG ALA MET GLN ALA LEU LEU 0.414634 0.707692
80 MET CYS LEU ARG MET THR ALA VAL MET 0.413793 0.803571
81 LEU LEU LEU 0.413333 0.673913
82 PHE ALA GLY LEU ARG GLN ALA VAL THR GLN 0.412844 0.830189
83 ALA ASN SER ARG TRP GLN ASP THR ARG LEU 0.412698 0.703125
84 LYS ARG ARG LYS SEP VAL 0.412371 0.789474
85 ARG GLN ALA SEP LEU SER ILE SER VAL 0.409836 0.721311
86 LYS MET LYS 0.409639 0.72
87 LEU GLU LYS ALA ARG GLY SER THR TYR 0.409091 0.754098
88 SER PRO LYS ARG ILE ALA 0.408696 0.714286
89 ARG GLY TYR LEU TYR GLN GLY LEU 0.408696 0.758621
90 GLU LEU LYS ARG LYS MET ILE TYR MET 0.408 0.766667
91 ALA ARG 0.407895 0.847826
92 LYS GLU LYS 0.407407 0.723404
93 VAL LEU ARG ASP ASP LEU LEU GLU ALA 0.405941 0.88
94 PHE LEU ARG GLY ARG ALA TYR GLY LEU 0.404959 0.745763
95 ARG ARG ARG TRP ARG ARG LEU THR VAL 0.403361 0.714286
96 PHE TYR ARG ALA LEU MET 0.403361 0.733333
97 SER LEU LEU LYS LYS LEU LEU ASP 0.402174 0.735849
98 SER SER ARG LYS GLU TYR TYR ALA 0.401869 0.77193
99 SER GLN LEU LYS ASN ASN ALA LYS GLU ILE 0.401786 0.714286
100 SER ARG LYS ILE ASP ASN LEU ASP 0.401709 0.821429
101 MET CYS LEU ARG NLE THR ALA VAL MET 0.4 0.789474
102 LYS ILE LEU GLY PRV VAL PHE PRQ VAL 0.4 0.78
103 ARG HIS LYS ALY LEU MET PHE LYS 0.4 0.709677
104 VAL MET ALA PRO ARG ALA LEU LEU LEU 0.4 0.730159
Similar Binding Sites (Proteins are less than 50% similar to leader)
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