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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
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 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 286 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 209 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 174 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: 116
No: Ligand ECFP6 Tc MDL keys Tc
1 ARG ASP ARG ALA ALA LYS LEU 1 1
2 GLY THR LEU SER ASN ARG ALA SER LYS LEU 0.609756 0.764706
3 HIS GLU GLU LEU ALA LYS LEU 0.607143 0.829787
4 ARG ARG ALA ALA 0.5875 0.893617
5 ALA ARG LYS LEU ASP 0.579545 0.958333
6 LYS ARG LYS 0.575 0.913043
7 ARG LEU PRO ALA LYS ALA PRO LEU LEU 0.571429 0.754098
8 GLU ALA GLN THR ARG LEU 0.57 0.846154
9 ARG GLN PRO ALA LYS ALA PRO LEU LEU 0.547009 0.741935
10 LYS ALA ALA ARG M3L SER ALA 0.544554 0.737705
11 LYS ARG LYS ARG LYS ARG LYS ARG LYS ARG 0.528736 0.851064
12 LYS ALA LYS 0.526316 0.804348
13 ALA PRO ALA LEU ARG VAL VAL LYS 0.526316 1
14 ALA ARG ALA ALA ALA ALA ALA ALA ALA 0.52439 0.913043
15 ARG GLU ALA ALA 0.523256 0.893617
16 LYS THR LYS LEU LEU 0.522727 0.784314
17 ACE CSO ARG ALA THR LYS MET LEU 0.522523 0.71875
18 MET ALA ARG 0.517647 0.86
19 VAL ALA ARG SER 0.511628 0.877551
20 PHE GLU ALA LYS LYS LEU VAL 0.505747 0.869565
21 PRO PRO LYS LYS LYS ARG LYS VAL 0.505618 0.934783
22 ARG ARG ALA THR LYS MET NH2 0.5 0.785714
23 LYS ASN LEU 0.487805 0.78
24 ARG ARG LYS TRP ARG ARG TRP HIS LEU 0.487603 0.766667
25 LYS LEU LYS 0.4875 0.869565
26 ALA ARG THR M3L GLN THR ALA ALA LYS ALA 0.482143 0.741935
27 VAL ARG SER ARG ARG ABA LEU ARG LEU 0.48 0.849057
28 LEU LYS THR LYS LEU LEU 0.478261 0.784314
29 LYS LYS LYS ALA 0.475 0.804348
30 VAL ARG SER ARG ARG CYS LEU ARG LEU 0.474747 0.849057
31 GLY GLY LYS LYS ARG TYR LYS LEU 0.472727 0.821429
32 GLY GLY LYS LYS LYS TYR ARG LEU 0.472727 0.821429
33 VAL LYS VAL VAL ALA LYS LYS TYR ARG ASN 0.472727 0.775862
34 GLY GLY ARG LYS LYS TYR LYS LEU 0.472727 0.821429
35 ARG ARG LYS TRP CIR ARG TRP HIS LEU 0.472 0.754098
36 ACE GLU ALA GLN THR ARG LEU 0.471698 0.830189
37 ARG ALA ARG 0.46988 0.808511
38 ARG LEU GLY GLU SER 0.464286 0.854167
39 ARG SER ARG 0.452381 0.769231
40 TYR GLU LEU ASP GLU LYS PHE ASP ARG LEU 0.451613 0.779661
41 SER GLU ILE GLU PHE ALA ARG LEU 0.45 0.785714
42 LYS ARG ARG LYS SEP VAL 0.45 0.789474
43 ARG ARG GLY LEU NH2 0.449438 0.857143
44 LYS LYS LYS 0.448718 0.782609
45 GLY ARG PHE ALA ALA ALA ILE ALA LYS 0.448276 0.865385
46 GLU LEU ARG ARG LYS MET MET TYR MET 0.445378 0.766667
47 ARG GLU 0.444444 0.851064
48 ARG VAL 0.443038 0.913043
49 PRO ALA ALA LYS ARG VAL LYS LEU ASP 0.442105 0.934783
50 ILE LYS LEU GLU THR LYS LYS THR LYS LEU 0.442105 0.727273
51 ARG LEU GLN ARG ARG ARG GLU THR GLN VAL 0.440367 0.849057
52 SER SER ILE GLU PHE ALA ARG LEU 0.439024 0.77193
53 ILE LEU GLY LYS PHE LEU HIS ARG LEU 0.4375 0.766667
54 GLN ARG ALA THR LYS MET NH2 0.4375 0.785714
55 ARG ARG ARG ARG ARG ARG ARG ARG 0.436782 0.829787
56 ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG 0.436782 0.829787
57 ARG PRO LYS ARG ILE ALA 0.435897 0.75
58 ALA ARG 0.435897 0.869565
59 ALA ALA LEU THR ARG ALA 0.435644 0.843137
60 PAC DLY DLY DAR 0.43299 0.823529
61 ARG VAL ALA GLN LEU GLU GLN VAL TYR ILE 0.432 0.785714
62 ALA ARG LYS ILE ASP ASN LEU ASP 0.431034 0.867925
63 SER GLU LEU GLU ILE LYS ARG TYR 0.430894 0.766667
64 ALA LEU ALA LEU 0.43038 0.695652
65 ALA LYS ARG HIS ARG LYS VAL LEU ARG ASP 0.429752 0.8
66 THR ARG ARG GLU THR GLN LEU 0.428571 0.849057
67 SER ASP TYR GLN ARG LEU 0.427273 0.785714
68 ARG GLY ARG ALA 2MR GLY GLN GLU 0.425926 0.803922
69 THR ALA ARG M3L SER THR 0.425532 0.762712
70 GLU LEU LYS TPO GLU ARG TYR 0.425197 0.707692
71 MET ABA LEU ARG MET THR ALA VAL MET 0.423729 0.803571
72 SER SER ARG LYS GLU TYR TYR ALA 0.423423 0.77193
73 GLN LEU ALA THR M3L ALA ALA ARG LYS SER 0.423423 0.737705
74 ALA ARG THR LYS GLN THR ALA ARG LYS 0.423423 0.811321
75 ILE LEU ALA LYS PHE LEU HIS ARG LEU 0.423077 0.758621
76 ASN ARG LEU LEU LEU THR GLY 0.42268 0.811321
77 ASN ALA LEU LEU ARG TYR LEU LEU ASP 0.422414 0.745763
78 LEU GLU LYS ALA ARG GLY SER THR TYR 0.422222 0.754098
79 LYS NLE LYS 0.421687 0.791667
80 ARG ARG ARG TRP HIS ARG TRP ARG LEU 0.421488 0.75
81 SER PRO LYS ARG ILE ALA 0.421053 0.698413
82 ASN PRO ARG ALA MET GLN ALA LEU LEU 0.420635 0.69697
83 LYS ALA SER VAL GLY 0.419355 0.730769
84 TYR GLN SER LYS LEU 0.419048 0.661017
85 LYS GLY GLY ALA ALY ARG HIS ARG 0.417323 0.733333
86 ARG ARG LEU ILE PHE NH2 0.416667 0.823529
87 SER ARG LYS ILE ASP ASN LEU ASP 0.416667 0.821429
88 ILE LYS ARG SER LYS LYS ASN SER LEU ALA 0.416667 0.823529
89 PHE ALA GLY LEU ARG GLN ALA VAL THR GLN 0.415929 0.830189
90 ARG ASP ALA ALA 0.41573 0.854167
91 GLU LEU LYS ARG LYS MET ILE TYR MET 0.415385 0.766667
92 ALA ARG THR M3L GLN THR ALA ARG 0.414414 0.741935
93 LEU GLY GLY ALA LYS GLN ARG GLY ASP VAL 0.414414 0.918367
94 VAL LEU ARG ASP ASP LEU LEU GLU ALA 0.413462 0.88
95 MET CYS LEU ARG MET THR ALA VAL MET 0.413223 0.803571
96 ACE ALA ARG THR LYS GLN 0.411765 0.843137
97 ARG GLY TYR LEU TYR GLN GLY LEU 0.411765 0.758621
98 PRO LYS THR PRO LYS LYS ALA LYS LYS LEU 0.411765 0.826087
99 LYS NVA LYS 0.409639 0.808511
100 ARG ARG ILE TYR ASP LEU ILE GLU LEU 0.409449 0.775862
101 ARG GLN ALA SEP LEU SER ILE SER VAL 0.408 0.721311
102 VAL MET ALA PRO ARG ALA LEU LEU LEU 0.406504 0.730159
103 ARG HIS LYS ALY LEU MET PHE LYS 0.406015 0.709677
104 ACE PHE LYS PHE TA2 ALA LEU ARG NH2 0.404762 0.775862
105 ILE LEU ALA LYS PHE LEU HIS GLU LEU 0.404762 0.694915
106 ALA ARG THR LYS GLN THR ALA ARG 0.403846 0.826923
107 2UE DLY LYS DAR 0.403846 0.807692
108 MET CYS LEU ARG NLE THR ALA VAL MET 0.403226 0.789474
109 PHE LEU ARG GLY ARG ALA TYR GLY LEU 0.403226 0.745763
110 LYS DAB LYS 0.402439 0.75
111 GLY HIS LYS ILE LEU HIS ARG LEU LEU GLN 0.401575 0.779661
112 GLU ALY ARG 0.4 0.877551
113 LYS PRO VAL LEU ARG THR ALA 0.4 0.730159
114 ALA ARG THR ALA ALA THR ALA ARG LYS SER 0.4 0.788462
115 SER GLN LEU LYS ASN ASN ALA LYS GLU ILE 0.4 0.714286
116 GLN THR ALA ARG M3L SER 0.4 0.714286
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
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