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;
Atoms found LESS than expected: % Diff = 0;
Atoms found LESS than expected: % Diff = 0;
Ki = 4.56 uM
1192.29 n/a O=C([...
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 403 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 316 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 242 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: 139
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 0.644295 0.953846
3 GLN ASN GLY PTR GLU ASN PRO THR TYR 0.612245 0.857143
4 ASP TYR GLU PRO ILE PRO GLU GLU ALA PHE 0.593548 0.893939
5 GLY ARG PRO ARG THR THR SER PHE ALA GLU 0.56962 0.791667
6 LYS LEU TYR GLN ASN PRO THR THR TYR ILE 0.566038 0.925373
7 ASN PHE ASP ASN PRO VAL TYR ARG LYS THR 0.562874 0.875
8 ASP PHE GLU GLU ILE PRO GLU GLU TYS 0.551282 0.734177
9 GLN ASN GLY PTR VAL ASN PRO THR TYR 0.54902 0.887324
10 LEU TYR ALA SER PRO GLN LEU GLU GLY PHE 0.548781 0.895522
11 ARG LEU TYR GLN ASN PRO THR THR TYR ILE 0.545455 0.837838
12 ALA ILE ALA TYR PHE ILE PRO ASP GLN ALA 0.542484 0.892308
13 ASP PHE GLU GLU ILE PRO GLY GLU TYR LEU 0.530488 0.852941
14 GLY TYR GLN ASP TYR GLU PRO GLU ALA 0.524476 0.873016
15 PHE GLU ALA ILE PRO ALA GLU TYR LEU 0.522013 0.863636
16 ALA PRO GLN PRO ALA PRO GLU ASN ALA TYR 0.512821 0.923077
17 SER ILE TYR PHE TPO PRO GLU LEU TYR ASP 0.508671 0.813333
18 SER SER PHE TYR PRO SEP ALA GLU GLY 0.50641 0.830986
19 SER THR SEP PRO THR PHE ASN LYS 0.506098 0.780822
20 ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU 0.505882 0.716049
21 GLN MET PRO THR GLU ASP GLU TYR 0.503145 0.869565
22 ASN ASP LYS TYR GLU PRO PHE TRP GLU 0.497175 0.893939
23 ASN TRP SER HIS PRO GLN PHE GLU LYS 0.496815 0.787879
24 ASP PHE GLU GLU ILE PRO GLY GLU PTR 0.494118 0.783784
25 LYS PRO ILE VAL GLN TYR ASP ASN PHE 0.491124 0.925373
26 ALA GLU THR PHE TYR VAL ASP GLY 0.48951 0.71875
27 THR ASN GLU PHE TYR ALA 0.485714 0.761905
28 LEU PRO PHE GLU ARG ALA THR VAL MET 0.485549 0.727273
29 LYS LEU PRO ALA GLN PHE TYR ILE LEU 0.48503 0.865672
30 GLY PHE GLU PRO 0.481203 0.761905
31 PRO LYS ARG PRO THR THR LEU ASN LEU PHE 0.479769 0.794521
32 VAL TYR ILE HIS PRO PHE 0.478528 0.811594
33 LEU PRO PHE GLU ARG ALA THR ILE MET 0.477273 0.717949
34 ILE GLY PRO GLY ARG ALA PHE TYR THR ILE 0.477273 0.847222
35 SER TYR SEP PRO THR SEP PRO SEP TYR SER 0.477124 0.777778
36 GLU GLU TYR LEU GLN ALA PHE THR TYR 0.474026 0.723077
37 ILE GLY PRO GLY ARG ALA PHE TYR ALA 0.473373 0.805556
38 ARG VAL SER PRO SER THR SER TYR THR PRO 0.472973 0.863636
39 PRO PRO THR LEU HIS GLU LEU TYR ASP LEU 0.468927 0.897059
40 LEU PHE GLY TYR PRO VAL TYR VAL 0.46875 0.863636
41 ACE TYR PRO ILE GLN GLU THR 0.464968 0.863636
42 TYR MET PHE PRO ASN ALA PRO TYR LEU 0.464286 0.873239
43 GLU ALA ASP PRO THR GLY HIS SER TYR 0.462857 0.897059
44 GLN VAL PRO SER ASP PRO TYR ASN TYR 0.4625 0.910448
45 GLY ASN TYR SER PHE TYR ALA LEU 0.462069 0.731343
46 SER GLU ASP GLU PHE TYR ASP ALA LEU SER 0.458065 0.701493
47 LEU LEU PHE GLY TYR PRO VAL TYR VAL 0.457831 0.863636
48 LEU LEU PHE GLY PHE PRO VAL TYR VAL 0.457831 0.863636
49 PHE PRO THR LYS ASP VAL ALA LEU 0.45679 0.848485
50 LYS PRO PHE PTR VAL ASN VAL GLU PHE 0.456647 0.847222
51 ALA PRO ALA TRP LEU PHE GLU ALA 0.455621 0.768116
52 GLU GLU PRO THR VAL ILE LYS LYS TYR 0.45509 0.865672
53 PHE ALA PRO GLY ASN TYR PRO ALA LEU 0.45509 0.911765
54 PRO PRO ARG PRO ILE TYR ASN ARG ASN 0.45509 0.808219
55 LYS THR PHE PRO PRO THR GLU PRO LYS 0.454545 0.890625
56 LEU LEU PHE GLY LYS PRO VAL TYR VAL 0.452941 0.850746
57 LEU PRO PHE GLU LYS SER THR VAL MET 0.450292 0.777778
58 ARG MET PHE PRO ASN ALA PRO TYR LEU 0.448864 0.794872
59 ARG ARG ARG GLU ARG SER PRO THR ARG 0.448718 0.75
60 ARG SEP PRO VAL PHE SER 0.448485 0.679487
61 VAL SER GLN ASN TYR PRO ILE VAL GLN ASN 0.447853 0.882353
62 PHE ALA PRO GLY PHE PHE PRO TYR LEU 0.447853 0.852941
63 ILE ARG TYR PRO LYS THR PHE GLY TRP 0.446809 0.813333
64 ILE THR ASP GLN VAL PRO PHE SER VAL 0.446429 0.838235
65 SER PHE PHE GLU ASP ASN PHE VAL PRO GLU 0.44586 0.909091
66 ASN TYR THR PRO GLY PRO GLY THR ARG PHE 0.44382 0.887324
67 PHE ASN PHE PRO GLN ILE THR 0.443038 0.923077
68 SER SER LEU GLU ASN PHE ALA ALA TYR VAL 0.440994 0.731343
69 LYS GLN GLU PRO GLN GLU ILE ASP PHE 0.440476 0.787879
70 PHE GLN PRO GLN ASN GLY GLN PHE ILE 0.439024 0.835821
71 TRP GLU TYR ILE PRO ASN VAL 0.436782 0.884058
72 ALA ASN SER ARG TYR PRO THR SER ILE ILE 0.436047 0.835616
73 ASP PHE GLU GLU ILE PRO GLY GLU TYS LEU 0.434286 0.716049
74 GLU VAL ALA PRO PRO GLU TYR HIS ARG LYS 0.433862 0.797297
75 ALA ASN SER ARG PHE PRO THR SER ILE ILE 0.433526 0.794521
76 ALA ILE MET PRO ALA ARG PHE TYR PRO LYS 0.432432 0.753247
77 PRO THR SEP PRO SER TYR 0.432099 0.767123
78 TYR PRO ASN VAL ASN ILE HIS ASN PHE 0.431818 0.898551
79 GLY THR SER SER PRO SER ALA ASP 0.431507 0.830769
80 GLY ALA GLU THR PHE TYR VAL ASP GLY ALA 0.43038 0.742424
81 SER SER LEU GLU ASN PHE ARG ALA TYR VAL 0.430233 0.69863
82 TYR LEU LYS GLU PRO VAL HIS GLY VAL 0.429379 0.826087
83 SER LEU PHE ASN THR VAL ALA THR LEU TYR 0.428571 0.686567
84 ALA VAL TYR ASN PHE ALA THR MET 0.426752 0.695652
85 THR PRO TYR ASP ILE ASN GLN MET LEU 0.426136 0.871429
86 ALA VAL ALA PHE TYR ILE PRO ASP GLN ALA 0.425806 0.833333
87 GLY ALA PHE THR PHE ASN GLU ASP PHE 0.425676 0.714286
88 GLN ASN TYR PRO ILE VAL GLN 0.425 0.893939
89 THR GLU ASN LEU TYR PHE GLN SER GLY THR 0.424242 0.776119
90 GLY SER ASP PRO PHE LYS 0.423841 0.80303
91 MAA LYS PRO PHE 0.423611 0.707692
92 ARG PRO GLY ASN PHE LEU GLN SER ARG LEU 0.422222 0.746667
93 SER SER TYR ARG ARG PRO VAL GLY ILE 0.421965 0.786667
94 PRO ALA PRO PHE ALA SER ALA 0.420382 0.791045
95 GLY PHE ARG PRO 0.41958 0.7
96 LYS GLN TRP ASP ASN TYR GLU PHE ILE TRP 0.41954 0.75
97 SER PRO THR SER PRO SEP TYR SER PRO PRO 0.419162 0.767123
98 ASN TYR THR PRO GLY PRO GLY ILE ARG PHE 0.418478 0.849315
99 TYR PRO SER LYS PRO ASP ASN PRO GLY GLU 0.415584 0.863636
100 ARG PRO GLY ASN PHE PHE GLN SER ARG PRO 0.414773 0.794521
101 LYS ALA VAL TYR ASN PHE ALA THR MET 0.414634 0.753623
102 ARG TYR PRO LEU THR PHE GLY TRP CYS PHE 0.414141 0.815789
103 GLY GLU ARG THR ILE PRO ILE THR ARG GLU 0.41358 0.753425
104 GLY ALA ALA ARG ALA GLU VAL TYR LEU ARG 0.413174 0.608108
105 SER ASN TRP SER HIS PRO GLN PHE GLU LYS 0.413043 0.826087
106 HIS SER ILE THR TYR LEU LEU PRO VAL 0.412429 0.84507
107 THR TYR LYS PHE PHE GLU GLN 0.412162 0.765625
108 GLU ASN PRO THR TYR LYS PHE PHE GLU GLN 0.412162 0.765625
109 LEU SER SER PRO VAL THR LYS SER PHE 0.412121 0.808824
110 ARG PRO GLY ASN PHE LEU GLN SER SER PRO 0.412088 0.77027
111 LEU PRO PHE ASP LYS THR THR ILE MET 0.411429 0.788732
112 SER HIS PHE ASN GLU TYR GLU 0.411043 0.764706
113 PHE SER HIS PRO GLN ASN THR 0.410714 0.867647
114 LYS ALA LEU TYR ASN PHE ALA THR MET 0.409639 0.753623
115 GLN VAL PRO LEU ARG PRO MET THR TYR LYS 0.409574 0.779221
116 ILE PRO ALA TYR GLY VAL LEU THR ILE 0.409357 0.865672
117 LYS PRO PHE PTR VAL ASN VAL NH2 0.409357 0.833333
118 GLU GLU TYR LEU LYS ALA TRP THR PHE 0.409091 0.779412
119 PHE TYR ARG TYR GLY PHE VAL ALA ASN PHE 0.408805 0.676056
120 GLU TYR LEU GLY LEU ASP VAL PRO VAL 0.408284 0.848485
121 THR ASN GLU PHE TYR PHE 0.407143 0.68254
122 THR ASN GLU PHE ALA PHE 0.407143 0.619048
123 DPN PRO DAR DTH NH2 0.406667 0.742857
124 PHE ASN ARG PRO VAL 0.406452 0.760563
125 TYR SEP PRO THR SEP PRO SER 0.406452 0.780822
126 ILE SER PRO ARG THR LEU ASP ALA TRP 0.40625 0.766234
127 GLU GLY GLN PTR GLN PRO GLN PRO ALA 0.405882 0.763889
128 GLN LEU SER PRO PHE PRO PHE ASP LEU 0.404762 0.811594
129 LEU PRO PHE ASP LYS SER THR ILE MET 0.403315 0.767123
130 PRO ALA PRO PHE ALA ALA ALA 0.402597 0.738462
131 LEU ASN PHE PRO ILE SER PRO 0.402516 0.84058
132 ASN ARG PRO VAL TYR ILE PRO ARG PRO PRO 0.402367 0.743243
133 ARG PRO GLY ASN PHE LEU GLN SER ARG PRO 0.402174 0.76
134 GLY ALA GLU VAL PHE TYR VAL ASP GLY ALA 0.401274 0.69697
135 VAL MET ALA PRO ARG THR LEU PHE LEU 0.40113 0.705128
136 DHI PRO PHE HIS LEU LEU VAL TYR 0.401099 0.838235
137 ARG TYR PRO LEU THR LEU GLY TRP CYS PHE 0.4 0.815789
138 VAL PRO LEU ARG PRO MET THR TYR 0.4 0.766234
139 LEU PRO PHE ASP ARG THR THR ILE MET 0.4 0.730769
Similar Binding Sites (Proteins are less than 50% similar to leader)
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