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Receptor
PDB id Resolution Class Description Source Keywords
1AQC 2.3 Å NON-ENZYME: BINDING X11 PTB DOMAIN-10MER PEPTIDE COMPLEX HOMO SAPIENS COMPLEX (PEPTIDE BINDING MODULE/PEPTIDE) PEPTIDE BINDING MODULE PTB DOMAIN
Ref.: SEQUENCE-SPECIFIC RECOGNITION OF THE INTERNALIZATION MOTIF OF THE ALZHEIMER'S AMYLOID PRECURSOR PROTEIN BY THE X11 PTB DOMAIN. EMBO J. V. 16 6141 1997
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GLY TYR GLU ASN PRO THR TYR LYS PHE PHE C:3;
D:3;
Valid;
Valid;
none;
none;
Ki = 4.56 uM
1250.4 n/a O=C(N...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1AQC 2.3 Å NON-ENZYME: BINDING X11 PTB DOMAIN-10MER PEPTIDE COMPLEX HOMO SAPIENS COMPLEX (PEPTIDE BINDING MODULE/PEPTIDE) PEPTIDE BINDING MODULE PTB DOMAIN
Ref.: SEQUENCE-SPECIFIC RECOGNITION OF THE INTERNALIZATION MOTIF OF THE ALZHEIMER'S AMYLOID PRECURSOR PROTEIN BY THE X11 PTB DOMAIN. EMBO J. V. 16 6141 1997
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 510 families.
1 1AQC Ki = 4.56 uM GLY TYR GLU ASN PRO THR TYR LYS PHE PHE 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 391 families.
1 1AQC Ki = 4.56 uM GLY TYR GLU ASN PRO THR TYR LYS PHE PHE 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 298 families.
1 1AQC Ki = 4.56 uM GLY TYR GLU ASN PRO THR TYR LYS PHE PHE n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GLY TYR GLU ASN PRO THR TYR LYS PHE PHE; Similar ligands found: 167
No: Ligand ECFP6 Tc MDL keys Tc
1 GLY TYR GLU ASN PRO THR TYR LYS PHE PHE 1 1
2 ASN GLY TYR GLU ASN PRO THR TYR LYS 0.691275 1
3 LYS LEU TYR GLN ASN PRO THR THR TYR ILE 0.634615 0.926471
4 ASN PHE ASP ASN PRO VAL TYR ARG LYS THR 0.624242 0.888889
5 GLN ASN GLY PTR GLU ASN PRO THR TYR 0.602649 0.859155
6 ARG LEU TYR GLN ASN PRO THR THR TYR ILE 0.566265 0.851351
7 SER THR SEP PRO THR PHE ASN LYS 0.561728 0.794521
8 ASN ASP LYS TYR GLU PRO PHE TRP GLU 0.556818 0.939394
9 LEU SER SER PRO VAL THR LYS SER PHE 0.544872 0.823529
10 GLU GLU PRO THR VAL ILE LYS LYS TYR 0.54321 0.882353
11 GLN ASN GLY PTR VAL ASN PRO THR TYR 0.541401 0.863014
12 PRO LYS ARG PRO THR THR LEU ASN LEU PHE 0.534884 0.808219
13 LYS PRO ILE VAL GLN TYR ASP ASN PHE 0.529762 0.926471
14 LYS LEU PRO ALA GLN PHE TYR ILE LEU 0.52381 0.867647
15 ASP PHE GLU GLU ILE PRO GLY GLU TYR LEU 0.52381 0.882353
16 SER ILE TYR PHE TPO PRO GLU LEU TYR ASP 0.522988 0.815789
17 LYS THR PHE PRO PRO THR GLU PRO LYS 0.51875 0.907692
18 ASP TYR GLU PRO ILE PRO GLU GLU ALA PHE 0.512048 0.895522
19 GLY ARG PRO ARG THR THR SER PHE ALA GLU 0.508876 0.805556
20 GLN MET PRO THR GLU ASP GLU TYR 0.506173 0.857143
21 LEU PRO PHE GLU LYS SER THR VAL MET 0.505952 0.805556
22 PRO PRO THR LEU HIS GLU LEU TYR ASP LEU 0.505882 0.913043
23 ACE TYR PRO ILE GLN GLU THR 0.503226 0.823529
24 ARG THR PHE SER PRO THR TYR GLY LEU 0.502959 0.837838
25 LEU TYR ALA SER PRO GLN LEU GLU GLY PHE 0.5 0.882353
26 GLU ASN PRO THR TYR LYS PHE PHE GLU GLN 0.496504 0.796875
27 THR TYR LYS PHE PHE GLU GLN 0.496504 0.796875
28 LYS GLN GLU PRO GLN GLU ILE ASP PHE 0.493976 0.791045
29 ASP PHE GLU GLU ILE PRO GLU GLU TYS 0.493902 0.719512
30 GLY GLN VAL PRO PHE SER LYS GLU GLU CYS 0.490909 0.826087
31 ILE ARG TYR PRO LYS THR PHE GLY TRP 0.486911 0.826667
32 PHE TYR ALA PRO GLU PRO ILE THR SER LEU 0.48538 0.9
33 LYS PRO PHE PTR VAL ASN VAL GLU PHE 0.482759 0.849315
34 GLU ASN GLN LYS GLU TYR PHE PHE 0.482759 0.78125
35 LEU PRO PHE ASP LYS THR THR ILE MET 0.482353 0.805556
36 LEU PRO SER PHE GLU THR ALA LEU 0.478261 0.838235
37 TYR LEU LYS GLU PRO VAL HIS GLY VAL 0.477273 0.855072
38 GLY TYR GLN ASP TYR GLU PRO GLU ALA 0.476821 0.875
39 GLU VAL ALA PRO PRO GLU TYR HIS ARG LYS 0.47619 0.810811
40 PHE GLU ALA ILE PRO ALA GLU TYR LEU 0.473054 0.838235
41 MAA LYS PRO PHE 0.472222 0.742424
42 LEU PRO PHE ASP LYS SER THR ILE MET 0.471591 0.794521
43 ALA ILE MET PRO ALA ARG PHE TYR PRO LYS 0.47027 0.766234
44 ASP PHE GLU GLU ILE PRO GLY GLU PTR 0.468571 0.810811
45 TYR GLN PHE GLY PRO ASP PHE PRO ILE ALA 0.468571 0.910448
46 LEU LEU PHE GLY LYS PRO VAL TYR VAL 0.467456 0.84058
47 GLY PHE GLU PRO 0.467153 0.78125
48 PHE PRO THR LYS ASP VAL ALA LEU 0.467066 0.865672
49 GLY SER ASP PRO PHE LYS 0.466667 0.861538
50 ASP VAL GLN THR GLY ARG ARG PRO TYR GLU 0.465909 0.847222
51 THR ASN GLU TYR LYS VAL 0.465278 0.727273
52 ARG PRO MET THR TYR LYS GLY ALA LEU 0.464481 0.769231
53 ARG TYR PRO LEU THR PHE GLY TRP CYS PHE 0.464286 0.815789
54 GLU GLN TYR LYS PHE TYR SER VAL 0.464052 0.761194
55 ARG ILE PRO SER TYR ARG TYR ARG TYR 0.462963 0.824324
56 SER TYR SEP PRO THR SEP PRO SEP TYR SER 0.462025 0.805556
57 LEU LEU PHE GLY PHE PRO VAL TYR VAL 0.461078 0.865672
58 LEU LEU PHE GLY TYR PRO VAL TYR VAL 0.461078 0.865672
59 GLN VAL PRO SER ASP PRO TYR ASN TYR 0.460123 0.925373
60 LEU PHE GLY TYR PRO VAL TYR VAL 0.460123 0.865672
61 ALA ASN SER ARG TYR PRO THR SER ILE ILE 0.459302 0.824324
62 ARG PRO MET THR PHE LYS GLY ALA LEU 0.459016 0.730769
63 THR LYS ASN TYR LYS GLN THR SER VAL 0.458599 0.761194
64 ARG ARG ARG GLU ARG SER PRO THR ARG 0.45625 0.788732
65 THR ASN GLU PHE TYR ALA 0.455172 0.723077
66 PHE ALA PRO GLY PHE PHE PRO TYR LEU 0.45509 0.867647
67 TRP GLU TYR ILE PRO ASN VAL 0.454545 0.871429
68 THR LYS ASN TYR LYS GLN PHE SER VAL 0.454545 0.776119
69 ARG VAL SER PRO SER THR SER TYR THR PRO 0.453947 0.865672
70 ARG THR TYR SEP GLY PRO MET ASN LYS VAL 0.453125 0.738095
71 ARG SEP PRO VAL PHE SER 0.452381 0.670886
72 GLN VAL PRO LEU ARG PRO MET THR TYR LYS 0.452128 0.792208
73 ASP ILE ASN TYR TYR THR SER GLU PRO 0.451807 0.926471
74 TYR PRO LYS ARG ILE ALA 0.451219 0.767123
75 ARG GLN PHE GLY PRO ASP PHE PRO THR ILE 0.450549 0.835616
76 ALA PRO GLN PRO ALA PRO GLU ASN ALA TYR 0.448485 0.909091
77 VAL SER GLN ASN TYR PRO ILE VAL GLN ASN 0.448485 0.869565
78 TYR MET PHE PRO ASN ALA PRO TYR LEU 0.447674 0.861111
79 PHE ASN PHE PRO GLN ILE THR 0.447205 0.880597
80 ASN TYR THR PRO GLY PRO GLY THR ARG PHE 0.445055 0.901408
81 PHE LEU PRO HIS ALY TYR ASP VAL LYS LEU 0.443243 0.816901
82 ALA ASN SER ARG PHE PRO THR SER ILE ILE 0.443182 0.783784
83 CYS THR PHE LYS THR LYS THR ASN 0.442177 0.727273
84 PRO PRO ARG PRO ILE TYR ASN ARG ASN 0.44186 0.821918
85 1IP CYS PHE SER LYS PRO ARG 0.44186 0.794521
86 ACE GLU ASN LEU TYR PHE GLN SER GLY THR 0.441558 0.676471
87 LYS PRO PHE PTR VAL ASN VAL NH2 0.441176 0.835616
88 ASP ILE ALA TYR TYR THR SER GLU PRO 0.440994 0.911765
89 ARG MET PHE PRO ASN ALA PRO TYR LEU 0.43956 0.807692
90 TYR LEU GLY GLY PRO ASP PHE PRO THR ILE 0.438889 0.926471
91 GLU GLU TYR LEU GLN ALA PHE THR TYR 0.438272 0.686567
92 THR PHE LYS LYS THR ASN 0.4375 0.738462
93 GLU SER ASP PRO ILE VAL ALA GLN TYR 0.436782 0.869565
94 GLU ILE ILE ASN PHE GLU LYS LEU 0.436709 0.647059
95 ILE THR ASP GLN VAL PRO PHE SER VAL 0.436047 0.826087
96 LEU PRO PHE GLU ARG ALA THR ILE MET 0.434783 0.730769
97 SER PHE PHE GLU ASP ASN PHE VAL PRO GLU 0.434783 0.895522
98 ARG TYR PRO LEU THR PHE GLY TRP 0.434555 0.826667
99 SER ILE ILE ASN PHE GLU LYS LEU 0.433962 0.666667
100 GLU TYR GLY PRO LYS TRP ASN LYS 0.431818 0.909091
101 THR PRO TYR ASP ILE ASN GLN MET LEU 0.431818 0.833333
102 LEU PRO PHE GLU ARG ALA THR VAL MET 0.431694 0.74026
103 SER SER TYR ARG ARG PRO VAL GLY ILE 0.431034 0.8
104 GLU GLU TYR LEU LYS ALA TRP THR PHE 0.430939 0.797101
105 PRO SER TYR SEP PRO THR SEP PRO SER 0.430303 0.833333
106 GLY GLU ARG THR ILE PRO ILE THR ARG GLU 0.430303 0.767123
107 ALA PHE ARG ILE PRO LEU THR ARG 0.430233 0.77027
108 ASN TYR THR PRO GLY PRO GLY ILE ARG PHE 0.430108 0.876712
109 PRO THR SEP PRO SER TYR 0.429448 0.819444
110 N7P THR SEP PRO SER TYR SET 0.429448 0.786667
111 GLN LEU SER PRO PHE PRO PHE ASP LEU 0.428571 0.867647
112 LYS GLN TRP ASP ASN TYR GLU PHE ILE TRP 0.428571 0.73913
113 HIS SER ILE THR TYR LEU LEU PRO VAL 0.426966 0.873239
114 SER GLU ASP GLU PHE TYR ASP ALA LEU SER 0.425926 0.705882
115 CYS THR GLU LEU LYS LEU ASN ASP TYR 0.425926 0.735294
116 THR GLU ASN LEU TYR PHE GLN SER GLY THR 0.42515 0.764706
117 TYR GLU LEU ASP GLU LYS PHE ASP ARG LEU 0.42515 0.684932
118 ILE LEU LYS GLU PRO VAL HIS GLY VAL 0.423729 0.757143
119 ASP ILE ASN TYR TYR ALA SER GLU PRO 0.423529 0.926471
120 PHE GLN PRO GLN ASN GLY GLN PHE ILE 0.423529 0.850746
121 SER PRO THR SER PRO SEP TYR SER PRO PRO 0.422619 0.819444
122 ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU 0.42246 0.710843
123 TYR PRO ASN VAL ASN ILE HIS ASN PHE 0.421348 0.885714
124 GLN ASN TYR PRO ILE VAL GLN 0.420732 0.852941
125 GLY ARG PRO ARG THR THR ZXW PHE ALA GLU 0.420354 0.7
126 ARG ARG LEU PRO ILE PHE SER ARG LEU 0.41954 0.746667
127 ARG PRO GLY ASN PHE LEU GLN SER ARG LEU 0.419355 0.77027
128 TYR LEU GLU PRO ALA PRO VAL THR ALA 0.419162 0.882353
129 VAL ORN LEU DPN PRO VAL ORN LEU DPN PRO 0.417178 0.791045
130 PHE ALA PRO GLY ASN TYR PRO ALA LEU 0.417143 0.926471
131 THR ASN GLU PHE TYR PHE 0.415493 0.6875
132 ASN TRP SER HIS PRO GLN PHE GLU LYS 0.415094 0.850746
133 GLY PHE ARG PRO 0.414966 0.714286
134 TYR SEP PRO THR SEP PRO SER 0.414013 0.833333
135 TYR PRO PHE PHE NH2 0.413793 0.84375
136 GLU ALA ASP PRO THR GLY HIS SER TYR 0.413043 0.926471
137 ILE GLY PRO GLY ARG ALA PHE TYR THR 0.412088 0.808219
138 LEU PRO PHE ASP ARG THR THR ILE MET 0.412088 0.74359
139 SER SER ARG LYS GLU TYR TYR ALA 0.411765 0.676056
140 GLU LEU PRO PRO VAL LYS ILE HIS CYS 0.411765 0.760563
141 ILE GLY PRO GLY ARG ALA PHE TYR THR ILE 0.411765 0.835616
142 GLY ILE LEU GLU PHE VAL PHE THR LEU 0.411392 0.661765
143 ALA ALA SER LEU TYR GLU LYS LYS ALA ALA 0.411392 0.720588
144 GLY ALA GLU THR PHE TYR VAL ASP GLY ALA 0.411043 0.746269
145 LYS ALA LEU TYR ASN PHE ALA THR MET 0.409357 0.732394
146 ARG TYR PRO LEU THR LEU GLY TRP CYS PHE 0.408867 0.828947
147 ASP PHE GLU ASP TYR GLU PHE ASP 0.408163 0.681818
148 SER SER LEU GLU ASN PHE ARG ALA TYR VAL 0.407821 0.689189
149 LYS PRO ILE VAL VAL LEU HIS GLY TYR 0.407609 0.842857
150 ASP PHE GLU GLU ILE PRO GLY GLU TYS LEU 0.406593 0.722892
151 LEU ASN PHE PRO ILE SER PRO 0.40625 0.855072
152 LYS ALA VAL TYR ASN PHE ALA THR MET 0.405882 0.732394
153 GLY GLY LYS LYS LYS TYR GLN LEU 0.405229 0.701493
154 ASP PHE M3L THR ASP 0.403974 0.671233
155 PHE ASN ARG PRO VAL 0.403727 0.75
156 ACE LEU TYR ALA SER SER ASN PRO ALA PTR 0.403409 0.828947
157 TYR LEU GLU PRO GLY PRO VAL THR VAL 0.402299 0.910448
158 TYR LEU GLU PRO GLY PRO VAL THR ALA 0.402299 0.910448
159 LEU PRO PRO LEU ASP ILE THR PRO TYR 0.402299 0.867647
160 DVA DPR GLY DSN DGN DHI DTY DAS DSN 0.402235 0.913043
161 SER ASP ILE LEU PHE PRO ALA ASP SER 0.401198 0.811594
162 SER HIS PHE ASN GLU TYR GLU 0.401198 0.80597
163 GLU THR VAL ARG PHE GLN SER ASP 0.401198 0.60274
164 DHI PRO PHE HIS LEU LEU VAL TYR 0.401099 0.84058
165 ARG PRO GLY ASN PHE LEU GLN SER ARG PRO 0.40107 0.773333
166 TYR PRO SER LYS PRO ASP ASN PRO GLY GLU 0.4 0.892308
167 GLY PRO THR ILE GLU GLU VAL ASP 0.4 0.794118
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
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