Receptor
PDB id Resolution Class Description Source Keywords
3L81 1.6 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF ADAPTOR PROTEIN COMPLEX 4 (AP-4) MU4 SU TERMINAL DOMAIN, IN COMPLEX WITH A SORTING PEPTIDE FROM THEP RECURSOR PROTEIN (APP) HOMO SAPIENS IMMUNOGLOBULIN-LIKE BETA-SANDWICH COATED PIT GOLGI APPARATMEMBRANE PHOSPHOPROTEIN PROTEIN TRANSPORT TRANSPORT ALZDISEASE AMYLOID AMYLOIDOSIS TRANSPORT PROTEIN
Ref.: SORTING OF THE ALZHEIMER'S DISEASE AMYLOID PRECURSO PROTEIN MEDIATED BY THE AP-4 COMPLEX. DEV.CELL V. 18 425 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL A:1;
A:2;
A:3;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
THR TYR LYS PHE PHE GLU GLN B:686;
Valid;
none;
submit data
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 1256 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 1068 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 922 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: THR TYR LYS PHE PHE GLU GLN; Similar ligands found: 158
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 0.71 0.921569
4 THR ASN GLU PHE TYR ALA 0.69 0.849057
5 ASP ASN ARG LEU GLY LEU VAL TYR GLN PHE 0.648936 0.807692
6 GLU GLN TYR LYS PHE TYR SER VAL 0.638889 0.925926
7 THR PHE LYS LYS THR ASN 0.63 0.849057
8 THR ASN GLU TYR LYS VAL 0.596154 0.849057
9 THR ASN GLU PHE TYR PHE 0.59596 0.823529
10 THR LYS ASN TYR LYS GLN PHE SER VAL 0.589286 0.875
11 GLU ASN LEU TYR PHE GLN 0.588785 0.833333
12 THR GLU ASN LEU TYR PHE GLN SER GLY THR 0.580645 0.827586
13 SER SER ARG LYS GLU TYR TYR ALA 0.570093 0.810345
14 GLU GLU TYR LEU GLN ALA PHE THR TYR 0.553719 0.867925
15 GLY GLY LYS LYS LYS TYR GLN LEU 0.545455 0.818182
16 THR LYS CYS VAL PHE MET 0.544643 0.711864
17 TYR GLU LEU ASP GLU LYS PHE ASP ARG LEU 0.544 0.786885
18 PHE LEU SER TYR LYS 0.541284 0.854545
19 PHE LEU GLU LYS 0.529412 0.716981
20 PHE LEU ALA TYR LYS 0.527273 0.830189
21 LYS TYR LYS 0.526882 0.84
22 ASP PHE GLU ASP TYR GLU PHE ASP 0.518519 0.823529
23 THR LYS ASN TYR LYS GLN THR SER VAL 0.516667 0.857143
24 SER ILE ILE ASN PHE GLU LYS LEU 0.516667 0.741379
25 VAL GLN GLN GLU SER SER PHE VAL MET 0.508621 0.683333
26 LYS ALC LYS 0.505376 0.74
27 TYR GLN PHE 0.50505 0.82
28 LEU GLU PHE GLN GLY 0.504673 0.690909
29 VAL LYS VAL VAL ALA LYS LYS TYR ARG ASN 0.504348 0.783333
30 GLU ILE ILE ASN PHE GLU LYS LEU 0.504132 0.763636
31 GLU GLU TYR LEU LYS ALA TRP THR PHE 0.503597 0.830508
32 ALA GLU THR PHE TYR VAL ASP GLY 0.5 0.830189
33 THR ASN GLU TYR TYR VAL 0.5 0.811321
34 GLU LEU ARG ARG LYS MET MET TYR MET 0.495868 0.692308
35 ALA ALA SER LEU TYR GLU LYS LYS ALA ALA 0.495798 0.854545
36 ASP ASN ARG LEU GLY LEU VAL TYR TRP PHE 0.495495 0.672414
37 SER HIS PHE ASN GLU TYR GLU 0.492188 0.783333
38 CYS THR PHE LYS THR LYS THR ASN 0.491071 0.818182
39 TYR GLN SER LYS LEU 0.490909 0.854545
40 GLY GLN VAL PRO PHE SER LYS GLU GLU CYS 0.487179 0.711864
41 GLY GLY LYS LYS LYS TYR LYS LEU 0.486239 0.8
42 ASP PHE GLU GLU ILE 0.485714 0.679245
43 ALA GLU THR PHE 0.485149 0.764706
44 SER ASP TYR GLN ARG LEU 0.482456 0.733333
45 GLY ALA GLN THR PHE TYR VAL ASP GLY ALA 0.479675 0.854545
46 ILE ASP TRP PHE GLU GLY LYS GLU 0.477612 0.704918
47 SER LEU ASN TYR ILE ILE LYS VAL LYS GLU 0.477273 0.827586
48 LYS LYS ALA THR GLN ALA SEP GLN GLU TYR 0.477064 0.733333
49 ILE LEU ALA LYS PHE LEU HIS GLU LEU 0.476923 0.672131
50 THR ASN GLU PHE ALA PHE 0.476636 0.745098
51 SER SER LEU GLU ASN PHE ALA ALA TYR VAL 0.473282 0.807018
52 CYS THR GLU LEU LYS LEU ASN ASP TYR 0.472441 0.824561
53 SER ILE ILE GLY PHE GLU LYS LEU 0.472 0.736842
54 ASN GLY TYR GLU ASN PRO THR TYR LYS 0.471429 0.78125
55 GLY ALA PHE THR PHE ASN GLU ASP PHE 0.470085 0.826923
56 ALA ILE PHE GLN SER SER MET THR LYS 0.46875 0.75
57 ILE ASP TRP PHE ASP GLY LYS GLU 0.466667 0.677419
58 GLU LEU ASP LYS TYR ALA SER 0.466667 0.803571
59 ACE ILE TYR GLU SER LEU 0.464286 0.767857
60 PHE ARG TYR LEU GLY 0.462185 0.737705
61 ALA ARG THR GLU LEU TYR ARG SER LEU 0.460938 0.758065
62 GLY ALA GLU THR PHE TYR VAL ASP GLY ALA 0.460938 0.821429
63 SER GLU ASP GLU PHE TYR ASP ALA LEU SER 0.460938 0.803571
64 ASP ALA ASP GLU TYR LEU 0.460177 0.740741
65 GLY ALA GLU VAL PHE TYR VAL ASP GLY ALA 0.459677 0.8
66 GLU THR LEU LEU ASP LEU ASP PHE LEU GLU 0.458716 0.648148
67 GLU GLU GLN GLU GLU TYR 0.458333 0.78
68 SER GLN TYR TYR TYR ASN SER LEU 0.45614 0.807018
69 ASP LEU TYR CYS TYR GLU GLN LEU ASN 0.455285 0.807018
70 LYS ALA LEU TYR ASN PHE ALA THR MET 0.455224 0.830508
71 TYR GLN GLU SER THR ASP PHE THR PHE LEU 0.454545 0.722222
72 GLY GLY LYS LYS ARG TYR LYS LEU 0.453782 0.737705
73 GLY GLY LYS LYS LYS TYR ARG LEU 0.453782 0.737705
74 GLY GLY ARG LYS LYS TYR LYS LEU 0.453782 0.737705
75 THR PHE ALY SER ILE MET LYS 0.452991 0.706897
76 ALA GLN PHE SER ALA SER ALA SER ARG 0.452991 0.7
77 GLY ILE LEU GLU PHE VAL PHE THR LEU 0.451613 0.796296
78 LYS ALA VAL TYR ASN PHE ALA THR MET 0.451128 0.830508
79 THR PHE GLN ALA PSA LEU ARG GLU 0.45 0.741935
80 ASP GLU LEU GLU ILE LYS ALA TYR 0.448819 0.833333
81 SER SER LEU GLU ASN PHE ARG ALA TYR VAL 0.447552 0.761905
82 CYS THR GLU LEU LYS LEU SER ASP TYR 0.446154 0.807018
83 SER GLU LEU GLU ILE LYS ARG TYR 0.446154 0.774194
84 ASP SER LYS ASP VAL LYS GLU TRP TYR VAL ZN 0.446043 0.765625
85 PHE TYR ARG ALA LEU MET 0.445312 0.6875
86 ACE GLU ASN LEU TYR PHE GLN SER GLY THR 0.444444 0.818182
87 PHE GLN TRP MET GLY TYR GLU LEU TRP 0.442177 0.707692
88 LEU THR GLU PTR VAL ALA THR ARG 0.441441 0.688525
89 LEU ASP GLU GLU THR GLY GLU PHE LEU 0.44 0.75
90 GLU LEU LYS ARG LYS MET ILE TYR MET 0.437037 0.692308
91 SEP GLN GLU TYR NH2 0.436364 0.716667
92 LYS SER HIS GLN GLU 0.435897 0.728814
93 ASP ALA GLU PHE ARG HIS ASP 0.435484 0.666667
94 GLN TYR PHE MET TPO GLU PTR VAL ALA 0.435374 0.691176
95 ACE PHE ALA TYR M3L SER NH2 0.434426 0.692308
96 GLY ASN PHE LEU GLN SER ARG 0.433071 0.65625
97 THR TYR PHE ALA VAL LEU MET VAL SER 0.432836 0.728814
98 LEU PRO PHE GLU LYS SER THR VAL MET 0.431507 0.619718
99 LYS LEU PRO ALA GLN PHE TYR ILE LEU 0.431507 0.723077
100 LYS MET ASP SEP PHE LEU ASP MET GLN LEU 0.430657 0.641791
101 ACE VAL PHE PHE ALA GLU ASP NH2 0.429825 0.711538
102 GLU THR VAL ARG PHE GLN SER ASP 0.42963 0.704918
103 LEU TYR LEU VAL CYS GLY GLU ARG GLY PHE 0.429577 0.741935
104 LYS PRO ILE VAL GLN TYR ASP ASN PHE 0.42953 0.731343
105 GLU LEU LYS TPO GLU ARG TYR 0.428571 0.691176
106 LYS MET ASN THR GLN PHE THR ALA VAL 0.428571 0.762712
107 LYS ALA THR LYS MLY 0.428571 0.666667
108 GLU VAL TYR GLU SER 0.428571 0.759259
109 GLU THR PHE TYR VAL ASP GLY 0.427419 0.836364
110 ALA LYS PHE ARG HIS ASP 0.427419 0.68254
111 THR ARG ARG GLU THR GLN LEU 0.426087 0.672131
112 SER GLN ASN TYR 0.424528 0.796296
113 ACE ASN TRP GLU THR PHE 0.424242 0.716667
114 ALA TRP LEU PHE GLU ALA 0.424 0.627119
115 THR PRO ASP TYR PHE LEU 0.423729 0.793103
116 ALA VAL TYR ASN PHE ALA THR MET 0.423077 0.762712
117 PHE TYR ARG TYR GLY PHE VAL ALA ASN PHE 0.423077 0.79661
118 GLY ASP GLU VAL LYS VAL PHE ARG 0.423077 0.683333
119 LYS SER LEU LEU GLN GLN LEU LEU THR GLU 0.422414 0.75
120 ASP PHE M3L THR ASP 0.420168 0.698413
121 GLU LEU ASN ARG LYS MET ILE TYR MET 0.41958 0.712121
122 LYS GLU LYS 0.419355 0.7
123 TYR GLY GLY PHE MET 0.418803 0.77193
124 GLY ASN TYR SER PHE TYR ALA LEU 0.418033 0.775862
125 ASP GLU ASP LYS TRP ASP ASP PHE 0.418033 0.719298
126 GLN PHE LYS ASP ASN VAL ILE LEU LEU 0.41791 0.75
127 ARG GLY TYR LEU TYR GLN GLY LEU 0.417323 0.737705
128 LEU GLU LYS ALA ARG GLY SER THR TYR 0.416667 0.761905
129 TI2 0.415842 0.692308
130 LYS GLN TRP ASP ASN TYR GLU PHE ILE TRP 0.414966 0.737705
131 LYS GLN LYS 0.414894 0.72
132 CYS ASP PTR ALA ASN PHE LYS 0.414815 0.746032
133 THR ASN LEU TYR MET LEU 0.414634 0.728814
134 ASP VAL GLN THR GLY ARG ARG PRO TYR GLU 0.413333 0.676056
135 ILE LEU ALA LYS PHE LEU HIS THR LEU 0.413043 0.737705
136 ASN ASP LYS TYR GLU PRO PHE TRP GLU 0.4125 0.723077
137 GLU ASP GLU ASP PHE GLU ILE LEU SER LEU 0.412214 0.719298
138 GLY TYR GLU ASN PRO THR TYR LYS PHE PHE 0.412162 0.765625
139 GLY ARG PHE GLN VAL THR 0.410256 0.6
140 ASN TRP SER HIS PRO GLN PHE GLU LYS 0.410072 0.640625
141 PHE GLU ALA ILE PRO ALA GLU TYR LEU 0.409722 0.692308
142 ARG PHE MET ASP TYR TRP GLU GLY LEU 0.409091 0.647887
143 TYR GLU TRP 0.408696 0.714286
144 SER ASN TRP SER HIS PRO GLN PHE GLU LYS 0.407643 0.686567
145 ALA ARG THR MLY GLN THR ALA ARG TYR 0.406015 0.705882
146 SER GLU ILE GLU PHE ALA ARG LEU 0.406015 0.677419
147 ASP TYR GLU PRO ILE PRO GLU GLU ALA PHE 0.405405 0.723077
148 LEU TYR ALA SER PRO GLN LEU GLU GLY PHE 0.405229 0.727273
149 TYR GLY GLY PHE LEU 0.405172 0.781818
150 ARG PRO GLY ASN PHE PHE GLN ASN ARG PRO 0.405172 0.714286
151 ALA THR ALA ALA ALA THR GLU ALA TYR 0.405172 0.807692
152 ALA ALA TRP LEU PHE GLU ALA 0.40458 0.627119
153 VAL ASN ASP ILE PHE GLU ALA ILE 0.403101 0.678571
154 GLN VAL ASN PHE LEU GLY LYS 0.403101 0.75
155 LYS HPE LYS 0.401961 0.74
156 ARG ARG ILE TYR ASP LEU ILE GLU LEU 0.40146 0.725806
157 LYS PRO PHE PTR VAL ASN VAL GLU PHE 0.401316 0.666667
158 ARG VAL LEU PHE GLU ALA MET 0.4 0.625
Similar Binding Sites (Proteins are less than 50% similar to leader)
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