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;
 Kd = 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 552 families.
1 1AQC Kd = 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 426 families.
1 1AQC Kd = 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 322 families.
1 1AQC Kd = 4.56 uM GLY TYR GLU ASN PRO THR TYR LYS PHE PHE n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: GLY TYR GLU ASN PRO THR TYR LYS PHE PHE; Similar ligands found: 180
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 ASP TYR ASN PRO TYR LEU LEU PHE LEU LYS 0.581699 0.940298
5 ARG LEU TYR GLN ASN PRO THR THR TYR ILE 0.566265 0.851351
6 SER THR SEP PRO THR PHE ASN LYS 0.561728 0.794521
7 ASN ASP LYS TYR GLU PRO PHE TRP GLU 0.556818 0.939394
8 LEU SER SER PRO VAL THR LYS SER PHE 0.544872 0.823529
9 GLU GLU PRO THR VAL ILE LYS LYS TYR 0.54321 0.882353
10 GLN ASN GLY PTR GLU ASN PRO THR TYR 0.538462 0.859155
11 PRO LYS ARG PRO THR THR LEU ASN LEU PHE 0.534884 0.808219
12 LYS PRO ILE VAL GLN TYR ASP ASN PHE 0.529762 0.926471
13 LYS LEU PRO ALA GLN PHE TYR ILE LEU 0.52381 0.867647
14 ASP PHE GLU GLU ILE PRO GLY GLU TYR LEU 0.52381 0.882353
15 SER ILE TYR PHE TPO PRO GLU LEU TYR ASP 0.522988 0.815789
16 LYS THR PHE PRO PRO THR GLU PRO LYS 0.51875 0.907692
17 ASP TYR GLU PRO ILE PRO GLU GLU ALA PHE 0.512048 0.895522
18 GLY ARG PRO ARG THR THR SER PHE ALA GLU 0.508876 0.805556
19 GLN MET PRO THR GLU ASP GLU TYR 0.506173 0.857143
20 LEU PRO PHE GLU LYS SER THR VAL MET 0.505952 0.805556
21 PRO PRO THR LEU HIS GLU LEU TYR ASP LEU 0.505882 0.913043
22 ACE TYR PRO ILE GLN GLU THR 0.503226 0.823529
23 ARG THR PHE SER PRO THR TYR GLY LEU 0.502959 0.837838
24 LEU TYR ALA SER PRO GLN LEU GLU GLY PHE 0.5 0.882353
25 LYS GLN GLU PRO GLN GLU ILE ASP PHE 0.493976 0.791045
26 ASP PHE GLU GLU ILE PRO GLU GLU TYS 0.493902 0.719512
27 GLY GLN VAL PRO PHE SER LYS GLU GLU CYS 0.490909 0.826087
28 ALA THR PRO PHE GLN GLU 0.490066 0.830769
29 ILE ARG TYR PRO LYS THR PHE GLY TRP 0.486911 0.826667
30 ALA GLU THR PHE TYR VAL ASP GLY 0.486301 0.69697
31 GLU ASN GLN LYS GLU TYR PHE PHE 0.486111 0.78125
32 PHE TYR ALA PRO GLU PRO ILE THR SER LEU 0.48538 0.9
33 GLY TYR GLN ASP TYR GLU PRO GLU ALA 0.483221 0.875
34 LYS PRO PHE PTR VAL ASN VAL GLU PHE 0.482759 0.849315
35 LEU PRO PHE ASP LYS THR THR ILE MET 0.482353 0.805556
36 GLN ASN GLY PTR VAL ASN PRO THR TYR 0.481481 0.863014
37 LEU PRO SER PHE GLU THR ALA LEU 0.478261 0.838235
38 TYR LEU LYS GLU PRO VAL HIS GLY VAL 0.477273 0.855072
39 ASP PHE GLU LYS GLU GLY TYR SER LEU 0.475309 0.779412
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 TYR GLN PHE GLY PRO ASP PHE PRO ILE ALA 0.468571 0.910448
45 ASP PHE GLU GLU ILE PRO GLY GLU PTR 0.468571 0.810811
46 THR ASN GLU TYR LYS VAL 0.468531 0.727273
47 LEU LEU PHE GLY LYS PRO VAL TYR VAL 0.467456 0.84058
48 GLY PHE GLU PRO 0.467153 0.78125
49 PHE PRO THR LYS ASP VAL ALA LEU 0.467066 0.865672
50 GLY SER ASP PRO PHE LYS 0.466667 0.861538
51 ASP VAL GLN THR GLY ARG ARG PRO TYR GLU 0.465517 0.847222
52 GLY ASP CYS PHE SER LYS PRO ARG 0.464706 0.777778
53 ARG PRO MET THR TYR LYS GLY ALA LEU 0.464481 0.769231
54 ARG TYR PRO LEU THR PHE GLY TRP CYS PHE 0.464286 0.815789
55 GLU GLN TYR LYS PHE TYR SER VAL 0.464052 0.761194
56 ARG VAL SER PRO SER THR SER TYR THR PRO 0.463576 0.850746
57 ARG ILE PRO SER TYR ARG TYR ARG TYR 0.462963 0.824324
58 LEU LEU PHE GLY TYR PRO VAL TYR VAL 0.461078 0.865672
59 LEU LEU PHE GLY PHE PRO VAL TYR VAL 0.461078 0.865672
60 GLN VAL PRO SER ASP PRO TYR ASN TYR 0.460123 0.925373
61 LEU PHE GLY TYR PRO VAL TYR VAL 0.460123 0.865672
62 GLU PRO VAL GLU THR THR ASP TYR 0.459119 0.893939
63 ARG PRO MET THR PHE LYS GLY ALA LEU 0.459016 0.730769
64 THR ASN GLU PHE TYR ALA 0.455172 0.723077
65 PHE ALA PRO GLY PHE PHE PRO TYR LEU 0.45509 0.867647
66 THR LYS ASN TYR LYS GLN PHE SER VAL 0.454545 0.776119
67 TRP GLU TYR ILE PRO ASN VAL 0.454545 0.871429
68 SER ASN TRP SER HIS PRO GLN PHE GLU LYS 0.453552 0.867647
69 ACE GLY LYS SER PHE SER LYS PRO ARG 0.453416 0.838235
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 THR THR ALA PRO PHE LEU SER GLY LYS 0.450292 0.84058
77 ALA PRO GLN PRO ALA PRO GLU ASN ALA TYR 0.448485 0.909091
78 VAL SER GLN ASN TYR PRO ILE VAL GLN ASN 0.448485 0.869565
79 TYR MET PHE PRO ASN ALA PRO TYR LEU 0.447674 0.861111
80 ALA ASN SER ARG TYR PRO THR SER ILE ILE 0.447674 0.824324
81 PHE ASN PHE PRO GLN ILE THR 0.447205 0.880597
82 ASN TYR THR PRO GLY PRO GLY THR ARG PHE 0.445055 0.901408
83 PHE LEU PRO HIS ALY TYR ASP VAL LYS LEU 0.443243 0.816901
84 ALA ASN SER ARG PHE PRO THR SER ILE ILE 0.443182 0.783784
85 CYS THR PHE LYS THR LYS THR ASN 0.442177 0.727273
86 PRO PRO ARG PRO ILE TYR ASN ARG ASN 0.44186 0.821918
87 1IP CYS PHE SER LYS PRO ARG 0.44186 0.794521
88 ACE GLU ASN LEU TYR PHE GLN SER GLY THR 0.441558 0.676471
89 LYS PRO PHE PTR VAL ASN VAL NH2 0.441176 0.835616
90 ARG MET PHE PRO ASN ALA PRO TYR LEU 0.43956 0.807692
91 PHE LYS TPO GLU GLY PRO ASP SER ASP 0.439306 0.788732
92 TYR LEU GLY GLY PRO ASP PHE PRO THR ILE 0.438889 0.926471
93 GLU GLU TYR LEU GLN ALA PHE THR TYR 0.438272 0.686567
94 THR LYS ASN TYR LYS GLN THR SER VAL 0.4375 0.761194
95 THR PHE LYS LYS THR ASN 0.4375 0.738462
96 GLU SER ASP PRO ILE VAL ALA GLN TYR 0.436782 0.869565
97 GLU ILE ILE ASN PHE GLU LYS LEU 0.436709 0.647059
98 ILE THR ASP GLN VAL PRO PHE SER VAL 0.436047 0.826087
99 LEU PRO PHE GLU ARG ALA THR ILE MET 0.434783 0.730769
100 SER PHE PHE GLU ASP ASN PHE VAL PRO GLU 0.434783 0.895522
101 ARG TYR PRO LEU THR PHE GLY TRP 0.434555 0.826667
102 SER SER PHE TYR PRO SEP ALA GLU GLY 0.434524 0.833333
103 SER ILE ILE ASN PHE GLU LYS LEU 0.433962 0.666667
104 THR PRO TYR ASP ILE ASN GLN MET LEU 0.431818 0.833333
105 LEU PRO PHE GLU ARG ALA THR VAL MET 0.431694 0.74026
106 SER SER TYR ARG ARG PRO VAL GLY ILE 0.431034 0.8
107 GLU GLU TYR LEU LYS ALA TRP THR PHE 0.430939 0.797101
108 GLY GLU ARG THR ILE PRO ILE THR ARG GLU 0.430303 0.767123
109 PRO SER TYR SEP PRO THR SEP PRO SER 0.430303 0.833333
110 ALA PHE ARG ILE PRO LEU THR ARG 0.430233 0.77027
111 ASN TYR THR PRO GLY PRO GLY ILE ARG PHE 0.430108 0.876712
112 ASP ILE ALA TYR TYR THR SER GLU PRO 0.429448 0.911765
113 N7P THR SEP PRO SER TYR SET 0.429448 0.786667
114 ARG ARG ARG GLU ARG SER PRO THR ARG 0.429448 0.788732
115 GLN LEU SER PRO PHE PRO PHE ASP LEU 0.428571 0.867647
116 ALA PRO ALA TRP LEU PHE GLU ALA 0.428571 0.771429
117 ARG PRO GLY ASN PHE LEU GLN SER ARG PRO 0.427778 0.76
118 HIS SER ILE THR TYR LEU LEU PRO VAL 0.426966 0.873239
119 GLU TYR GLY PRO LYS TRP ASN LYS 0.426752 0.875
120 CYS THR GLU LEU LYS LEU ASN ASP TYR 0.425926 0.735294
121 THR GLU ASN LEU TYR PHE GLN SER GLY THR 0.42515 0.764706
122 TYR GLU LEU ASP GLU LYS PHE ASP ARG LEU 0.42515 0.684932
123 ILE LEU LYS GLU PRO VAL HIS GLY VAL 0.423729 0.757143
124 PHE GLN PRO GLN ASN GLY GLN PHE ILE 0.423529 0.850746
125 ASP ILE ASN TYR TYR ALA SER GLU PRO 0.423529 0.926471
126 ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU 0.42246 0.710843
127 ACE GLY PHE GLY VAL VAL PRO SER PHE TYR 0.42236 0.820895
128 TYR PRO ASN VAL ASN ILE HIS ASN PHE 0.421348 0.885714
129 SER SER ARG LYS GLU TYR TYR ALA 0.421053 0.676056
130 GLN ASN TYR PRO ILE VAL GLN 0.420732 0.852941
131 ASP PHE ALA ASN THR PHE LEU PRO 0.420732 0.895522
132 GLN ILE MET TYR ASN TYR PRO ALA MET 0.420455 0.859155
133 GLY ARG PRO ARG THR THR ZXW PHE ALA GLU 0.420354 0.7
134 ARG ARG LEU PRO ILE PHE SER ARG LEU 0.41954 0.746667
135 ARG PRO GLY ASN PHE LEU GLN SER ARG LEU 0.419355 0.77027
136 TYR LEU GLU PRO ALA PRO VAL THR ALA 0.419162 0.882353
137 ASP LEU PRO PHE 0.418919 0.761194
138 GLY ALA GLU THR PHE TYR VAL ASP GLY ALA 0.417178 0.746269
139 VAL ORN LEU DPN PRO VAL ORN LEU DPN PRO 0.417178 0.791045
140 PHE ALA PRO GLY ASN TYR PRO ALA LEU 0.417143 0.926471
141 ASP ASP LEU ASP VAL PRO SER PHE LEU GLN 0.416667 0.838235
142 GLY PHE ARG PRO 0.414966 0.714286
143 TYR PRO SER LYS PRO ASP ASN PRO GLY GLU 0.414966 0.876923
144 ARG LYS LYS ARG TYR THR VAL VAL GLY ASN 0.414201 0.708333
145 TYR SEP PRO THR SEP PRO SER 0.414013 0.833333
146 LEU PRO PHE GLU LEU ARG GLY HIS LEU VAL 0.413978 0.743243
147 TYR PRO PHE PHE NH2 0.413793 0.84375
148 GLU GLU ASN ASP PRO ASP TYR 0.413333 0.90625
149 GLU ALA ASP PRO THR GLY HIS SER TYR 0.413043 0.926471
150 ILE GLY PRO GLY ARG ALA PHE TYR THR 0.412088 0.808219
151 LEU PRO PHE ASP ARG THR THR ILE MET 0.412088 0.74359
152 GLU LEU PRO PRO VAL LYS ILE HIS CYS 0.411765 0.760563
153 ILE GLY PRO GLY ARG ALA PHE TYR THR ILE 0.411765 0.835616
154 ACE GLU LEU LEU MET VAL PRO ASP MET TYR 0.411765 0.788732
155 ALA ALA SER LEU TYR GLU LYS LYS ALA ALA 0.411392 0.720588
156 GLY ILE LEU GLU PHE VAL PHE THR LEU 0.411392 0.661765
157 THR ASN GLU PHE TYR PHE 0.411348 0.6875
158 ACE GLY LYS SER PHE SER LYS PRO ARG MYR 0.409836 0.814286
159 ARG TYR PRO LEU THR LEU GLY TRP CYS PHE 0.408867 0.828947
160 ASN TRP SER HIS PRO GLN PHE GLU LYS 0.408805 0.835821
161 ASP PHE GLU ASP TYR GLU PHE ASP 0.408163 0.681818
162 GLY ALA PHE THR PHE ASN GLU ASP PHE 0.407895 0.703125
163 SER SER LEU GLU ASN PHE ARG ALA TYR VAL 0.407821 0.689189
164 LYS PRO ILE VAL VAL LEU HIS GLY TYR 0.407609 0.842857
165 ASP PHE GLU GLU ILE PRO GLY GLU TYS LEU 0.406593 0.722892
166 LEU ASN PHE PRO ILE SER PRO 0.40625 0.855072
167 SER GLU ASP GLU PHE TYR ASP ALA LEU SER 0.406061 0.705882
168 GLY GLY LYS LYS LYS TYR GLN LEU 0.405229 0.701493
169 PHE SER HIS PRO GLN ASN THR 0.404624 0.910448
170 ASP PHE M3L THR ASP 0.403974 0.671233
171 PHE ASN ARG PRO VAL 0.403727 0.75
172 ACE LEU TYR ALA SER SER ASN PRO ALA PTR 0.403409 0.828947
173 PIV HIS PRO PHE HIS LPL TYR TYR SER 0.403226 0.794521
174 TYR LEU GLU PRO GLY PRO VAL THR VAL 0.402299 0.910448
175 LEU PRO PRO LEU ASP ILE THR PRO TYR 0.402299 0.867647
176 TYR LEU GLU PRO GLY PRO VAL THR ALA 0.402299 0.910448
177 GLU THR VAL ARG PHE GLN SER ASP 0.401198 0.60274
178 SER HIS PHE ASN GLU TYR GLU 0.401198 0.80597
179 DHI PRO PHE HIS LEU LEU VAL TYR 0.401099 0.84058
180 GLY PRO THR ILE GLU GLU VAL ASP 0.4 0.794118
Similar Ligands (3D)
Ligand no: 1; Ligand: GLY TYR GLU ASN PRO THR TYR LYS PHE PHE; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
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