Receptor
PDB id Resolution Class Description Source Keywords
1FCH 2.2 Å NON-ENZYME: SIGNAL_HORMONE CRYSTAL STRUCTURE OF THE PTS1 COMPLEXED TO THE TPR REGION OF HUMAN PEX5 HOMO SAPIENS PROTEIN-PEPTIDE COMPLEX TETRATRICOPEPTIDE REPEAT TPR HELICAL REPEAT SIGNALING PROTEIN
Ref.: PEROXISOMAL TARGETING SIGNAL-1 RECOGNITION BY THE TPR DOMAINS OF HUMAN PEX5. NAT.STRUCT.BIOL. V. 7 1091 2000
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
TYR GLN SER LYS LEU C:1;
D:1;
Valid;
Valid;
none;
none;
Kd = 70 nM
638.743 n/a O=C([...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1FCH 2.2 Å NON-ENZYME: SIGNAL_HORMONE CRYSTAL STRUCTURE OF THE PTS1 COMPLEXED TO THE TPR REGION OF HUMAN PEX5 HOMO SAPIENS PROTEIN-PEPTIDE COMPLEX TETRATRICOPEPTIDE REPEAT TPR HELICAL REPEAT SIGNALING PROTEIN
Ref.: PEROXISOMAL TARGETING SIGNAL-1 RECOGNITION BY THE TPR DOMAINS OF HUMAN PEX5. NAT.STRUCT.BIOL. V. 7 1091 2000
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 289 families.
1 1FCH Kd = 70 nM TYR GLN SER LYS LEU n/a n/a
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 214 families.
1 1FCH Kd = 70 nM TYR GLN SER LYS LEU n/a n/a
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 181 families.
1 1FCH Kd = 70 nM TYR GLN SER LYS LEU n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: TYR GLN SER LYS LEU; Similar ligands found: 123
No: Ligand ECFP6 Tc MDL keys Tc
1 TYR GLN SER LYS LEU 1 1
2 SER GLN TYR TYR TYR ASN SER LEU 0.642857 0.875
3 GLY GLY LYS LYS LYS TYR GLN LEU 0.627451 0.888889
4 PHE LEU SER TYR LYS 0.623762 0.944444
5 GLU GLN TYR LYS PHE TYR SER VAL 0.590909 0.927273
6 TYR ASP GLN ILE LEU 0.58 0.830189
7 TYR GLN PHE 0.577778 0.722222
8 TYR GLU LEU ASP GLU LYS PHE ASP ARG LEU 0.561983 0.790323
9 GLY GLY LYS LYS LYS TYR LYS LEU 0.54902 0.888889
10 GLY THR LEU SER ASN ARG ALA SER LYS LEU 0.543478 0.846154
11 CYS THR GLU LEU LYS LEU SER ASP TYR 0.537815 0.962963
12 PHE LEU GLU LYS 0.535354 0.826923
13 THR LYS ASN TYR LYS GLN PHE SER VAL 0.535088 0.910714
14 ACE ILE TYR GLU SER LEU 0.528846 0.90566
15 PHE LEU ALA TYR LYS 0.518519 0.87037
16 TYR SER ALA 0.517241 0.826923
17 ALA ALA SER LEU TYR GLU LYS LYS ALA ALA 0.513043 0.981132
18 SER ASP TYR GLN ARG LEU 0.509259 0.827586
19 GLU LEU ASP LYS TYR ALA SER 0.504348 0.962264
20 SER GLU LEU GLU ILE LYS ARG TYR 0.504065 0.866667
21 GLY GLY LYS LYS ARG TYR LYS LEU 0.5 0.8
22 ASP GLU LEU GLU ILE LYS ALA TYR 0.5 0.907407
23 GLY GLY LYS LYS LYS TYR ARG LEU 0.5 0.8
24 GLY GLY ARG LYS LYS TYR LYS LEU 0.5 0.8
25 THR LYS ASN TYR LYS GLN THR SER VAL 0.495868 0.927273
26 HIS SER LYS LYS LYS CYS ASP GLU LEU 0.495798 0.774194
27 SER GLN ASN TYR 0.494845 0.833333
28 SER ILE ILE ASN PHE GLU LYS LEU 0.491667 0.872727
29 ALA ARG THR GLU LEU TYR ARG SER LEU 0.487805 0.85
30 GLY LEU TYR ALA SER LYS LEU ALA 0.486486 0.962264
31 GLU ASN GLN LYS GLU TYR PHE PHE 0.486486 0.821429
32 ASP PHE GLN GLU SER ALA ASP SER PHE LEU 0.483051 0.854545
33 CYS THR GLU LEU LYS LEU ASN ASP TYR 0.479675 0.927273
34 SER ILE ILE GLY PHE GLU LYS LEU 0.47541 0.888889
35 SER LEU ASN TYR ILE ILE LYS VAL LYS GLU 0.472868 0.928571
36 ASP PHE GLU LYS GLU GLY TYR SER LEU 0.472868 0.912281
37 PHE GLU ASP LEU ARG LEU LEU SER PHE 0.471074 0.770492
38 ALA LYS GLU LYS SER ASP 0.46875 0.777778
39 PHE ARG SER LYS GLY GLU GLU LEU PHE THR 0.46789 0.716667
40 HIS LYS LEU VAL GLN LEU LEU THR THR THR 0.466667 0.786885
41 LYS GLN LYS 0.465909 0.679245
42 ALA LYS ALA SER GLN ALA ALA 0.465347 0.807692
43 LEU LYS THR LYS LEU LEU 0.464646 0.830189
44 ALA ILE PHE GLN SER SER MET THR LYS 0.464 0.813559
45 ALA GLU LYS ASP GLU LEU 0.463918 0.773585
46 THR ASN GLU TYR LYS VAL 0.463636 0.924528
47 LYS TYR LYS 0.463158 0.811321
48 LEU GLU LEU ASP LYS TRP ALA SER LEU 0.462121 0.816667
49 TYR LEU PHE VAL GLN ARG ASP SER LYS GLU 0.461538 0.75
50 LEU ALA SER LEU GLU SER GLN SER 0.460784 0.811321
51 ASN LEU LEU GLN LYS LYS 0.460784 0.740741
52 LYS THR LYS LEU LEU 0.459184 0.830189
53 GLU ILE ILE ASN PHE GLU LYS LEU 0.459016 0.818182
54 LYS SER LEU LEU GLN GLN LEU LEU THR GLU 0.45614 0.851852
55 GLY ASN TYR SER PHE TYR ALA LEU 0.45614 0.842105
56 LYS GLN TRP LEU VAL TRP LEU PHE LEU 0.454545 0.721311
57 ASP ALA ASP GLU TYR LEU 0.454545 0.830189
58 TYR GLY GLY PHE LEU 0.453704 0.836364
59 TYR LEU ASP SER GLY ILE HIS SER GLY ALA 0.45098 0.884615
60 SER LEU SER GLN SER LEU SER GLN SER 0.44898 0.792453
61 PHE ARG TYR LEU GLY 0.448276 0.770492
62 GLU LEU ARG ARG LYS MET MET TYR MET 0.448 0.75
63 ACE VAL LYS GLU SER LEU VAL 0.447619 0.865385
64 LEU GLU LYS ALA ARG GLY SER THR TYR 0.446043 0.852459
65 ASP ASN ARG LEU GLY LEU VAL TYR GLN PHE 0.445455 0.796296
66 TYR PHE SER SEP ASN 0.442478 0.671875
67 PHE LEU SER THR LYS 0.441441 0.886792
68 SER GLN LEU LYS ASN ASN ALA LYS GLU ILE 0.440678 0.821429
69 LYS MET ASP SEP PHE LEU ASP MET GLN LEU 0.440298 0.712121
70 GLU LEU LYS TPO GLU ARG TYR 0.439394 0.746269
71 ARG GLY TYR LEU TYR GLN GLY LEU 0.439024 0.770492
72 GLN PHE LYS ASP ASN VAL ILE LEU LEU 0.438462 0.836364
73 ALA MET TYR LYS 0.438095 0.821429
74 PHE GLU ASP LEU ARG VAL LEU SER PHE 0.435115 0.770492
75 PHE GLU ASP LEU ARG VAL SER SER PHE 0.435115 0.770492
76 SEP GLN GLU TYR NH2 0.433962 0.721311
77 THR GLU ASN LEU TYR PHE GLN SER GLY THR 0.431818 0.894737
78 LYS LEU VAL GLN LEU LEU THR THR THR 0.431193 0.849057
79 LYS SER HIS GLN GLU 0.429825 0.733333
80 LYS LEU PRO ALA GLN PHE TYR ILE LEU 0.427586 0.716418
81 SER SER LEU GLU ASN PHE ALA ALA TYR VAL 0.427481 0.875
82 GLY ASN PHE LEU GLN SER ARG 0.427419 0.770492
83 SER SER ARG LYS GLU TYR TYR ALA 0.42735 0.754098
84 GLU GLU TYR LEU GLN ALA PHE THR TYR 0.426357 0.87037
85 LYS ASN LEU 0.423913 0.792453
86 MET LEU ILE TYR SER MET TRP GLY LYS 0.423841 0.776119
87 ACE GLN LEU VAL THR SER LEU 0.423077 0.796296
88 ARG GLY TYR VAL TYR GLN GLY LEU 0.421875 0.770492
89 HIS GLU GLU LEU ALA LYS LEU 0.421569 0.769231
90 TRP GLU GLU LEU 0.420561 0.677966
91 GLU GLN ASP LYS TRP ALA SER 0.419847 0.737705
92 GLU LEU LYS ARG LYS MET ILE TYR MET 0.419118 0.75
93 LEU LYS SER MLZ LYS GLY GLN SER THR TYR 0.419048 0.758621
94 GLU ASN LEU TYR PHE GLN 0.418803 0.836364
95 PHE LEU ARG GLY ARG ALA TYR GLY LEU 0.418605 0.758065
96 LEU ARG ASN GLN SER VAL PHE ASN PHE 0.418605 0.774194
97 VAL LYS VAL VAL ALA LYS LYS TYR ARG ASN 0.416667 0.816667
98 LYS VAL LEU SER LYS ILE PHE MYR 0.416058 0.842105
99 SER LEU LEU LYS LYS LEU LEU ASP 0.415842 0.833333
100 ASP LEU TYR CYS TYR GLU GLN LEU ASN 0.414634 0.842105
101 VAL ARG SER ARG ARG ABA LEU ARG LEU 0.414414 0.704918
102 PHE TYR ARG ALA LEU MET 0.414062 0.71875
103 PHE SER GLN HIS LYS THR SER TPO ILE 0.413793 0.676056
104 ARG ARG ILE TYR ASP LEU ILE GLU LEU 0.413534 0.786885
105 SER LEU LEU LYS LYS LEU LEU LEU ALA 0.412371 0.811321
106 TYR LEU VAL VAL VAL GLY ALA VAL GLY VAL 0.412281 0.849057
107 GLU ALA ASP LYS TRP GLN SER 0.412214 0.737705
108 GLU LEU GLU LYS TRP ALA SER 0.410853 0.783333
109 ILE LEU ALA LYS PHE LEU HIS GLU LEU 0.409091 0.709677
110 LEU ALA ILE TYR SER 0.409091 0.849057
111 PHE LEU ARG GLY ARG ALA TYR VAL LEU 0.408759 0.758065
112 GLN SER TYR TPO VAL 0.408696 0.786885
113 GLY GLN VAL PRO PHE SER LYS GLU GLU CYS 0.407143 0.701493
114 GLN ALA SER GLN ASP VAL LYS ASN TRP 0.407143 0.774194
115 ARG ARG LEU LEU ARG GLY HIS ASN GLN TYR 0.407143 0.720588
116 GLN ALA SER GLN GLU VAL LYS ASN TRP 0.407143 0.774194
117 TYR LEU LYS GLU PRO VAL HIS GLY VAL 0.406667 0.705882
118 CYS THR PHE LYS THR LYS THR ASN 0.405172 0.821429
119 LYS SER LYS 0.404494 0.754717
120 HIS LEU TYR PHE SER SEP ASN 0.402985 0.676056
121 GLU LEU ASN ARG LYS MET ILE TYR MET 0.402778 0.769231
122 SER SER ARG THR ARG ARG GLU GLU GLN LEU 0.402174 0.692308
123 LYS LYS ALA THR GLN ALA SEP GLN GLU TYR 0.4 0.737705
Similar Ligands (3D)
Ligand no: 1; Ligand: TYR GLN SER LYS LEU; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1FCH; Ligand: TYR GLN SER LYS LEU; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 1fch.bio5) has 27 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1FCH; Ligand: TYR GLN SER LYS LEU; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 1fch.bio5) has 22 residues
No: Leader PDB Ligand Sequence Similarity
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