Receptor
PDB id Resolution Class Description Source Keywords
4MDR 1.85 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF ADAPTOR PROTEIN COMPLEX 4 (AP-4) MU4 SU TERMINAL DOMAIN D190A MUTANT, IN COMPLEX WITH A SORTING PEPT HE AMYLOID PRECURSOR PROTEIN (APP) HOMO SAPIENS IMMUNOGLOBULIN-LIKE BETA-SANDWICH ADAPTOR PROTEIN COMPLEX APPARATUS SORTING SIGNAL RECOGNITION ALZHEIMER-prime S DISEASEPRECURSOR PROTEIN PROTEIN TRANSPORT-PROTEIN BINDING COMPLE
Ref.: STRUCTURAL AND FUNCTIONAL CHARACTERIZATION OF CARGO SITES ON THE MU 4-SUBUNIT OF ADAPTOR PROTEIN COMPLE PLOS ONE V. 9 88147 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GLU ASN PRO THR TYR LYS PHE PHE GLU GLN B:686;
Valid;
none;
Kd = 40.6 uM
962.071 n/a O=C([...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4MDR 1.85 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF ADAPTOR PROTEIN COMPLEX 4 (AP-4) MU4 SU TERMINAL DOMAIN D190A MUTANT, IN COMPLEX WITH A SORTING PEPT HE AMYLOID PRECURSOR PROTEIN (APP) HOMO SAPIENS IMMUNOGLOBULIN-LIKE BETA-SANDWICH ADAPTOR PROTEIN COMPLEX APPARATUS SORTING SIGNAL RECOGNITION ALZHEIMER-prime S DISEASEPRECURSOR PROTEIN PROTEIN TRANSPORT-PROTEIN BINDING COMPLE
Ref.: STRUCTURAL AND FUNCTIONAL CHARACTERIZATION OF CARGO SITES ON THE MU 4-SUBUNIT OF ADAPTOR PROTEIN COMPLE PLOS ONE V. 9 88147 2014
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 4MDR Kd = 40.6 uM GLU ASN PRO THR TYR LYS PHE PHE GLU GLN n/a n/a
2 3L81 - THR TYR LYS PHE PHE GLU GLN n/a n/a
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1205 families.
1 4MDR Kd = 40.6 uM GLU ASN PRO THR TYR LYS PHE PHE GLU GLN n/a n/a
2 3L81 - THR TYR LYS PHE PHE GLU GLN n/a n/a
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 4MDR Kd = 40.6 uM GLU ASN PRO THR TYR LYS PHE PHE GLU GLN n/a n/a
2 3L81 - THR TYR LYS PHE PHE GLU GLN n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GLU ASN PRO THR TYR LYS PHE PHE GLU GLN; Similar ligands found: 136
No: Ligand ECFP6 Tc MDL keys Tc
1 GLU ASN PRO THR TYR LYS PHE PHE GLU GLN 1 1
2 THR TYR LYS PHE PHE GLU GLN 1 1
3 GLU ASN GLN LYS GLU TYR PHE PHE 0.712871 0.942308
4 THR ASN GLU PHE TYR ALA 0.673267 0.833333
5 GLU GLN TYR LYS PHE TYR SER VAL 0.63964 0.944444
6 THR PHE LYS LYS THR ASN 0.633663 0.851852
7 THR ASN GLU TYR LYS VAL 0.609524 0.87037
8 THR LYS ASN TYR LYS GLN PHE SER VAL 0.596491 0.892857
9 THR ASN GLU PHE TYR PHE 0.59 0.826923
10 GLU ASN LEU TYR PHE GLN 0.572727 0.818182
11 THR GLU ASN LEU TYR PHE GLN SER GLY THR 0.568 0.844828
12 SER SER ARG LYS GLU TYR TYR ALA 0.567568 0.827586
13 GLY GLY LYS LYS LYS TYR GLN LEU 0.558559 0.836364
14 TYR GLU LEU ASP GLU LYS PHE ASP ARG LEU 0.555556 0.803279
15 PHE LEU SER TYR LYS 0.554545 0.890909
16 THR LYS CYS VAL PHE MET 0.548673 0.745763
17 PHE LEU ALA TYR LYS 0.540541 0.851852
18 GLU GLU TYR LEU GLN ALA PHE THR TYR 0.540323 0.851852
19 ASP PHE GLU ASP TYR GLU PHE ASP 0.527778 0.814815
20 ASP ASN ARG LEU GLY LEU VAL TYR GLN PHE 0.527273 0.777778
21 SER ILE ILE ASN PHE GLU LYS LEU 0.52459 0.758621
22 LYS TYR LYS 0.520833 0.862745
23 THR LYS ASN TYR LYS GLN THR SER VAL 0.520325 0.875
24 CYS THR PHE LYS THR LYS THR ASN 0.517857 0.836364
25 GLU ILE ILE ASN PHE GLU LYS LEU 0.516393 0.767857
26 TYR GLN SER LYS LEU 0.513761 0.872727
27 ALA ALA SER LEU TYR GLU LYS LYS ALA ALA 0.508333 0.890909
28 TYR GLN PHE 0.50505 0.803922
29 GLY GLY LYS LYS LYS TYR LYS LEU 0.5 0.836364
30 GLU GLU TYR LEU LYS ALA TRP THR PHE 0.496552 0.85
31 GLY TYR GLU ASN PRO THR TYR LYS PHE PHE 0.496504 0.796875
32 VAL LYS VAL VAL ALA LYS LYS TYR ARG ASN 0.495798 0.8
33 THR ASN GLU TYR TYR VAL 0.495238 0.814815
34 GLU LEU ARG ARG LYS MET MET TYR MET 0.492063 0.707692
35 VAL GLN GLN GLU SER SER PHE VAL MET 0.491525 0.7
36 SER HIS PHE ASN GLU TYR GLU 0.488372 0.8
37 CYS THR GLU LEU LYS LEU ASN ASP TYR 0.488189 0.842105
38 ACE GLU ASN LEU TYR PHE GLN SER GLY THR 0.487603 0.803571
39 LEU GLU PHE GLN GLY 0.486239 0.709091
40 ILE LEU ALA LYS PHE LEU HIS GLU LEU 0.484615 0.693548
41 ALA ILE PHE GLN SER SER MET THR LYS 0.484375 0.766667
42 SER ILE ILE GLY PHE GLU LYS LEU 0.484127 0.77193
43 SER LEU ARG PHE LEU TYR GLU GLY 0.480315 0.790323
44 GLU LEU ASP LYS TYR ALA SER 0.47541 0.839286
45 LYS LYS ALA THR GLN ALA SEP GLN GLU TYR 0.472727 0.721311
46 THR ASN GLU PHE ALA PHE 0.472222 0.75
47 ASP PHE GLU GLU ILE 0.471698 0.685185
48 ILE ASP TRP PHE GLU GLY LYS GLU 0.471014 0.737705
49 ALA GLU THR PHE 0.470588 0.769231
50 ASN GLY TYR GLU ASN PRO THR TYR LYS 0.468531 0.796875
51 SER ASP TYR GLN ARG LEU 0.466102 0.75
52 GLY ALA GLN THR PHE TYR VAL ASP GLY ALA 0.464 0.872727
53 LYS ALA LEU TYR ASN PHE ALA THR MET 0.463235 0.833333
54 CYS THR GLU LEU LYS LEU SER ASP TYR 0.461538 0.842105
55 ASP GLU LEU GLU ILE LYS ALA TYR 0.460938 0.854545
56 ILE ASP TRP PHE ASP GLY LYS GLU 0.460432 0.709677
57 LYS ALA VAL TYR ASN PHE ALA THR MET 0.459259 0.833333
58 GLY GLY ARG LYS LYS TYR LYS LEU 0.459016 0.754098
59 GLY GLY LYS LYS ARG TYR LYS LEU 0.459016 0.754098
60 GLY GLY LYS LYS LYS TYR ARG LEU 0.459016 0.754098
61 SER SER LEU GLU ASN PHE ALA ALA TYR VAL 0.458647 0.824561
62 PHE ARG TYR LEU GLY 0.458333 0.754098
63 GLY ALA GLU THR PHE TYR VAL ASP GLY ALA 0.457364 0.857143
64 SER GLU ASP GLU PHE TYR ASP ALA LEU SER 0.453846 0.839286
65 ACE PHE ALA TYR M3L SER NH2 0.452991 0.738462
66 GLY ALA GLU VAL PHE TYR VAL ASP GLY ALA 0.452381 0.836364
67 ASP ALA ASP GLU TYR LEU 0.452174 0.745455
68 ALA ARG THR GLU LEU TYR ARG SER LEU 0.450382 0.774194
69 LYS ALA THR LYS MLY 0.44898 0.688525
70 ASP LEU TYR CYS TYR GLU GLN LEU ASN 0.448 0.824561
71 GLY ILE LEU GLU PHE VAL PHE THR LEU 0.448 0.818182
72 GLY GLN VAL PRO PHE SER LYS GLU GLU CYS 0.446809 0.661765
73 SEP GLN GLU TYR NH2 0.445455 0.704918
74 ASP ASN ARG LEU GLY LEU VAL TYR TRP PHE 0.444444 0.677966
75 GLU GLU GLN GLU GLU TYR 0.444444 0.784314
76 SER GLU LEU GLU ILE LYS ARG TYR 0.443609 0.790323
77 LYS PRO ILE VAL GLN TYR ASP ASN PHE 0.442953 0.735294
78 TYR GLN GLU SER THR ASP PHE THR PHE LEU 0.441441 0.727273
79 GLU LEU LYS ARG LYS MET ILE TYR MET 0.438849 0.707692
80 ALA GLN PHE SER ALA SER ALA SER ARG 0.438017 0.716667
81 ASN LYS ASP LYS GLU TYR TYR VAL ANS 0.4375 0.60241
82 LEU ASP GLU GLU THR GLY GLU PHE LEU 0.436508 0.785714
83 LYS LEU PRO ALA GLN PHE TYR ILE LEU 0.436242 0.727273
84 SER GLN TYR TYR TYR ASN SER LEU 0.435897 0.824561
85 LEU PRO PHE GLU LYS SER THR VAL MET 0.435374 0.647887
86 PHE TYR ARG ALA LEU MET 0.435115 0.703125
87 LEU GLU LYS ALA ARG GLY SER THR TYR 0.434483 0.777778
88 ACE ILE TYR GLU SER LEU 0.431034 0.785714
89 ASP ALA GLU PHE ARG HIS ASP 0.430894 0.689655
90 THR PHE GLN ALA PSA LEU ARG GLU 0.430556 0.758065
91 ALA LYS PHE ARG HIS ASP 0.429688 0.698413
92 SER SER LEU GLU ASN PHE ARG ALA TYR VAL 0.428571 0.777778
93 LYS MET ASP SEP PHE LEU ASP MET GLN LEU 0.428571 0.647059
94 GLU LEU LYS TPO GLU ARG TYR 0.427536 0.705882
95 GLU THR PHE TYR VAL ASP GLY 0.427419 0.872727
96 GLN PHE LYS ASP ASN VAL ILE LEU LEU 0.426471 0.754386
97 LYS MET ASN THR GLN PHE THR ALA VAL 0.426471 0.766667
98 GLY ASN PHE LEU GLN SER ARG 0.426357 0.671875
99 GLU VAL TYR GLU SER 0.424779 0.796296
100 LEU THR GLU PTR VAL ALA THR ARG 0.424779 0.693548
101 ALA VAL TYR ASN PHE ALA THR MET 0.423077 0.75
102 GLU THR VAL ARG PHE GLN SER ASP 0.422222 0.733333
103 THR TYR PHE ALA VAL LEU MET VAL SER 0.422222 0.762712
104 GLU LEU ASN ARG LYS MET ILE TYR MET 0.421769 0.727273
105 LEU TYR LEU VAL CYS GLY GLU ARG GLY PHE 0.42069 0.758065
106 ILE LEU ALA LYS PHE LEU HIS THR LEU 0.42029 0.758065
107 GLN TYR PHE MET TPO GLU PTR VAL ALA 0.42 0.705882
108 PHE GLN TRP MET GLY TYR GLU LEU TRP 0.42 0.723077
109 ALA GLU THR PHE TYR VAL ASP GLY 0.419643 0.773585
110 GLY ASN TYR SER PHE TYR ALA LEU 0.418033 0.793103
111 LYS SER HIS GLN GLU 0.416667 0.745763
112 ASP PHE M3L THR ASP 0.416667 0.703125
113 GLN VAL ASN PHE LEU GLY LYS 0.415385 0.767857
114 GLY ASP GLU VAL LYS VAL PHE ARG 0.414815 0.7
115 LEU TYR ALA SER PRO GLN LEU GLU GLY PHE 0.411765 0.742424
116 TI2 0.411765 0.679245
117 THR PHE ALY SER ILE MET LYS 0.410072 0.721311
118 GLY LEU TYR ALA SER LYS LEU ALA 0.409836 0.839286
119 ALA LYS GLU LYS SER ASP 0.409524 0.792453
120 SER GLN ASN TYR 0.407407 0.814815
121 PHE GLU ALA ILE PRO ALA GLU TYR LEU 0.406897 0.69697
122 THR ARG ARG GLU THR GLN LEU 0.40678 0.688525
123 LYS GLU LYS 0.40625 0.72549
124 PHE ALA GLN 0.405941 0.666667
125 LYS GLN TRP ASP ASN TYR GLU PHE ILE TRP 0.405405 0.725806
126 ALA THR ALA ALA ALA THR GLU ALA TYR 0.405172 0.811321
127 ACE VAL PHE PHE ALA GLU ASP NH2 0.405172 0.716981
128 ACE ASN TRP GLU THR PHE 0.40458 0.704918
129 ASN PHE ASP ASN PRO VAL TYR ARG LYS THR 0.403727 0.708333
130 THR PRO ASP TYR PHE LEU 0.403361 0.813559
131 ASP TYR GLU PRO ILE PRO GLU GLU ALA PHE 0.402685 0.727273
132 LYS GLN LYS 0.402062 0.72549
133 GLU ALA ASP LYS TRP GLN SER 0.40146 0.779661
134 LYS ALA VAL PHE ASN PHE ALA THR MET 0.4 0.783333
135 ALA ARG THR MLY GLN THR ALA ARG TYR 0.4 0.720588
136 TYR GLY GLY PHE MET 0.4 0.807018
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
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