Receptor
PDB id Resolution Class Description Source Keywords
5D9G 2.15 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF TIPRL, TOR SIGNALING PATHWAY REGULATOR- COMPLEX WITH PEPTIDE HOMO SAPIENS PROTEIN BINDING TIP41-LIKE FAMILY PP2A PROTEIN BINDING
Ref.: CRYSTAL STRUCTURE OF THE HUMAN TIP41 ORTHOLOGUE, TI REVEALS A NOVEL FOLD AND A BINDING SITE FOR THE PP2 C-TERMINUS. SCI REP V. 6 30813 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GLU ASN LEU TYR PHE GLN D:9;
C:11;
 Valid;
Valid;
 none;
Atoms found LESS than expected: % Diff = 0.293;
 submit data
811.87 n/a O=C([...
NI A:303;
 Invalid;
 none;
 submit data
58.693 Ni [Ni+2...
PO4 A:302;
B:302;
 Invalid;
Invalid;
 none;
none;
 submit data
94.971 O4 P [O-]P...
CL A:301;
B:301;
 Invalid;
Invalid;
 none;
none;
 submit data
35.453 Cl [Cl-]
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5D9G 2.15 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF TIPRL, TOR SIGNALING PATHWAY REGULATOR- COMPLEX WITH PEPTIDE HOMO SAPIENS PROTEIN BINDING TIP41-LIKE FAMILY PP2A PROTEIN BINDING
Ref.: CRYSTAL STRUCTURE OF THE HUMAN TIP41 ORTHOLOGUE, TI REVEALS A NOVEL FOLD AND A BINDING SITE FOR THE PP2 C-TERMINUS. SCI REP V. 6 30813 2016
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 5D9G - GLU ASN LEU TYR PHE GLN 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 1331 families.
1 5D9G - GLU ASN LEU TYR PHE GLN 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 1144 families.
1 5D9G - GLU ASN LEU TYR PHE GLN n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: GLU ASN LEU TYR PHE GLN; Similar ligands found: 190
No: Ligand ECFP6 Tc MDL keys Tc
1 GLU ASN LEU TYR PHE GLN 1 1
2 GLU GLU TYR LEU GLN ALA PHE THR TYR 0.655172 0.96
3 ACE GLU ASN LEU TYR PHE GLN SER GLY THR 0.630631 0.98
4 THR GLU ASN LEU TYR PHE GLN SER GLY THR 0.601626 0.875
5 THR ASN GLU PHE TYR ALA 0.588785 0.901961
6 SER SER LEU GLU ASN PHE ALA ALA TYR VAL 0.585366 0.888889
7 SER GLN TYR TYR TYR ASN SER LEU 0.564815 0.888889
8 GLU GLN TYR LYS PHE TYR SER VAL 0.564103 0.839286
9 PHE LEU SER TYR LYS 0.563636 0.854545
10 PHE LEU ALA TYR LYS 0.563636 0.849057
11 LEU LEU TYR GLY PHE VAL ASN TYR VAL 0.563025 0.886792
12 GLY ASN TYR SER PHE TYR ALA LEU 0.553571 0.821429
13 GLU GLU ASN LEU LEU ASP PHE VAL ARG PHE 0.551181 0.762712
14 GLU ILE ILE ASN PHE GLU LYS LEU 0.55 0.763636
15 GLU LEU ASP LYS TYR ALA SER 0.547009 0.803571
16 LEU LEU TYR GLY PHE VAL ASN TYR ILE 0.544715 0.87037
17 ASP LEU TYR CYS TYR GLU GLN LEU ASN 0.542373 0.924528
18 TYR GLU LEU ASP GLU LYS PHE ASP ARG LEU 0.539062 0.770492
19 GLY ASN PHE LEU GLN SER ARG 0.528926 0.693548
20 GLU ASP GLU ASP PHE GLU ILE LEU SER LEU 0.528 0.781818
21 GLU LEU ARG ARG LYS MET MET TYR MET 0.524194 0.676923
22 GLN PHE LYS ASP ASN VAL ILE LEU LEU 0.523438 0.781818
23 SER LEU ASN TYR ILE ILE LYS VAL LYS GLU 0.523077 0.810345
24 ASP PHE GLU ASP TYR GLU PHE ASP 0.522936 0.846154
25 ASP TYR ASN PRO TYR LEU LEU PHE LEU LYS 0.522727 0.742424
26 GLU LEU ASN ARG LYS MET ILE TYR MET 0.521739 0.723077
27 GLU THR PHE TYR VAL ASP GLY 0.521368 0.836364
28 SER HIS PHE ASN GLU TYR GLU 0.519685 0.737705
29 THR ASN GLU PHE TYR PHE 0.519231 0.897959
30 SER SER LEU GLU ASN PHE ARG ALA TYR VAL 0.517986 0.803279
31 ASP ALA ASP GLU TYR LEU 0.513514 0.88
32 SER LEU ARG PHE LEU TYR GLU GLY 0.512 0.786885
33 GLU ASN GLN LYS GLU TYR PHE PHE 0.504348 0.833333
34 SER GLY ILE PHE LEU GLU THR SER 0.504348 0.763636
35 PHE ARG TYR LEU GLY 0.504274 0.779661
36 ASP PHE GLN GLU SER ALA ASP SER PHE LEU 0.5 0.833333
37 THR LYS ASN TYR LYS GLN PHE SER VAL 0.5 0.857143
38 ALA LEU TYR ASN THR ALA ALA ALA LEU 0.5 0.862745
39 CYS ASP PTR ALA ASN PHE LYS 0.5 0.735849
40 HIS LEU TYR PHE SER SEP ASN 0.496183 0.681159
41 CYS THR GLU LEU LYS LEU ASN ASP TYR 0.496063 0.839286
42 SER ILE ILE ASN PHE GLU LYS LEU 0.496 0.754386
43 LEU GLY TYR GLY PHE VAL ASN TYR ILE 0.496 0.87037
44 ACE SER LEU ASN PHE 0.495146 0.727273
45 GLU GLU TYR LEU LYS ALA TRP THR PHE 0.493151 0.786885
46 FME TYR PHE ILE ASN ILE LEU THR LEU 0.492308 0.842105
47 SER GLU ASP GLU PHE TYR ASP ALA LEU SER 0.492188 0.87037
48 GLN VAL ASN PHE LEU GLY LYS 0.491935 0.763636
49 ARG GLY TYR LEU TYR GLN GLY LEU 0.491935 0.779661
50 ASP ASN ARG LEU GLY LEU VAL TYR GLN PHE 0.491071 0.918367
51 PHE TYR ARG ALA LEU MET 0.488189 0.725806
52 ALA VAL TYR ASN PHE ALA THR MET 0.488 0.839286
53 ARG GLN ALA ASN PHE LEU GLY LYS 0.486957 0.740741
54 THR PRO ASP TYR PHE LEU 0.486726 0.810345
55 SER GLN ASN TYR 0.485437 0.777778
56 TYR GLN PHE 0.485149 0.836735
57 SER LEU PHE ASN THR VAL ALA THR LEU TYR 0.484615 0.833333
58 THR ASN LEU TYR MET LEU 0.483051 0.803571
59 SER LEU TYR ASN THR VAL ALA THR LEU 0.479675 0.814815
60 LEU ASP GLU GLU THR GLY GLU PHE LEU 0.479675 0.781818
61 SER LEU PHE ASN THR VAL ALA THR LEU 0.479675 0.759259
62 GLU ASP GLU ASP PHE GLU ILE LEU SEP LEU 0.477941 0.645161
63 SER LEU TYR ASN VAL VAL ALA THR LEU 0.475806 0.814815
64 SER LEU TYR ASN THR ILE ALA THR LEU 0.475806 0.818182
65 ACE LEU PHE PHE GLK CF0 GLU 0.475728 0.803922
66 ARG ARG LEU LEU ARG GLY HIS ASN GLN TYR 0.47482 0.727273
67 ARG ARG ILE TYR ASP LEU ILE GLU LEU 0.473684 0.737705
68 TYR GLY GLY PHE LEU 0.473214 0.814815
69 GLU LEU ASP 1OL VAL GLU PHE 0.472441 0.84
70 TYR ASP GLN ILE LEU 0.469027 0.88
71 LEU GLU PHE GLN GLY 0.468468 0.735849
72 LEU TYR LEU VAL CYS GLY GLU ARG GLY PHE 0.468085 0.783333
73 PHE LEU GLU LYS 0.46789 0.735849
74 ASN ALA LEU LEU ARG TYR LEU LEU ASP 0.467742 0.79661
75 GLU LEU LYS ARG LYS MET ILE TYR MET 0.467153 0.676923
76 PHE GLN TRP MET GLY TYR GLU LEU TRP 0.465753 0.71875
77 MET PHE SER ILE ASP ASN ILE LEU ALA 0.465649 0.728814
78 ARG GLN ALA ASN PHE LEU GLY LYS ILE ASN 0.464286 0.716981
79 GLU VAL ASN 1OL ALA GLU PHE 0.461538 0.88
80 PHE LEU ARG GLY ARG ALA TYR GLY LEU 0.458015 0.766667
81 LEU TYR ALA SER PRO GLN LEU GLU GLY PHE 0.456376 0.712121
82 ILE ASN PHE ASP PHE ASN THR ILE 0.45614 0.846154
83 LYS TYR LYS 0.455446 0.722222
84 GLU LEU ASP HOX TRP ALA SER 0.455224 0.693548
85 ARG TYR GLY PHE VAL ALA ASN PHE 0.455224 0.813559
86 ALA LEU ASP LEU PHE 0.454545 0.755102
87 GLY ALA PHE THR PHE ASN GLU ASP PHE 0.453782 0.843137
88 PHE GLU ALA ASN GLY ASN LEU ILE 0.453125 0.763636
89 GLY GLY LYS LYS LYS TYR GLN LEU 0.45 0.8
90 LYS VAL LEU PHE LEU ASP GLY 0.45 0.740741
91 TYR GLN GLU SER THR ASP PHE THR PHE LEU 0.446429 0.823529
92 GLU TYR LEU GLY LEU ASP VAL PRO VAL 0.446043 0.703125
93 PHE ALA GLN 0.444444 0.693878
94 ALA GLU THR PHE TYR VAL ASP GLY 0.442623 0.901961
95 THR LEU MET THR GLY GLN LEU GLY LEU PHE 0.442478 0.716981
96 PHE GLU ASP LEU ARG LEU LEU SER PHE 0.44186 0.721311
97 SER VAL TYR ASP PHE PHE VAL TRP LEU 0.441176 0.766667
98 GLY ALA GLU VAL PHE TYR VAL ASP GLY ALA 0.4375 0.833333
99 SER ASP TYR GLN ARG LEU 0.436975 0.775862
100 ARG GLN VAL ASN PHE LEU GLY LYS ILE ASN 0.436975 0.716981
101 TYR PHE SER SEP ASN 0.436975 0.677419
102 SER ILE ILE GLN PHE GLU HIS LEU 0.43609 0.737705
103 LEU ARG ASN GLN SER VAL PHE ASN PHE 0.43609 0.754098
104 PHE LEU ARG GLY ARG ALA TYR VAL LEU 0.435714 0.766667
105 GLY ALA ASP ILE PHE TYR LEU ASP GLY ALA 0.435484 0.777778
106 ASP PHE GLU LYS GLU GLY TYR SER LEU 0.434783 0.827586
107 ASP ASP ASP MET GLY PHE GLY LEU PHE ASP 0.433628 0.754717
108 PHE GLU ALA ILE PRO ALA GLU TYR LEU 0.433566 0.71875
109 GLY ILE LEU GLU PHE VAL PHE THR LEU 0.433071 0.814815
110 TYR GLY GLY PHE MET 0.432203 0.741379
111 GLN LEU SER PRO PHE PRO PHE ASP LEU 0.431655 0.647059
112 THR ASN GLU TYR TYR VAL 0.431193 0.959184
113 ARG PRO GLY ASN PHE PHE GLN ASN ARG PRO 0.431034 0.709091
114 ACE GLN ALC ASP LEU PHE 0.430894 0.773585
115 ARG PRO GLY ASN PHE LEU GLN ASN ARG PRO 0.430769 0.677966
116 LYS PRO ILE VAL GLN TYR ASP ASN PHE 0.430464 0.731343
117 GLU THR HPH TYR VAL ASP 0.429688 0.821429
118 VAL ASN ASP ILE PHE GLU ALA ILE 0.429688 0.823529
119 ARG PHE MET ASP TYR TRP GLU GLY LEU 0.429487 0.681159
120 LYS GLN TRP LEU VAL TRP LEU PHE LEU 0.428571 0.7
121 ASP PHE GLU GLU ILE 0.427273 0.78
122 GLN TYR PHE MET TPO GLU PTR VAL ALA 0.426667 0.676471
123 SER ALA ASN SER PHE THR LEU ILE GLY GLU 0.426471 0.736842
124 GLY ALA GLN THR PHE TYR VAL ASP GLY ALA 0.426357 0.836364
125 SER LEU TYR LEU THR VAL ALA THR LEU 0.42623 0.777778
126 GLU ASP LEU 0.425532 0.734694
127 ALA ARG THR GLU LEU TYR ARG SER LEU 0.425373 0.741935
128 CYS THR GLU LEU LYS LEU SER ASP TYR 0.425373 0.807018
129 ALA TRP LEU PHE GLU ALA 0.425197 0.745455
130 TYR MET PHE PRO ASN ALA PRO TYR LEU 0.424658 0.7
131 GLU LEU LYS TPO GLU ARG TYR 0.42446 0.652174
132 MET LEU TRP GLY TYR LEU GLN TYR VAL 0.423611 0.730159
133 THR ASN GLU PHE ALA PHE 0.423423 0.816327
134 ARG ABA GLN ILE PHE ALA ASN ILE 0.423077 0.773585
135 GLU GLU PHE GLY ARG ALA PHE SER PHE 0.422222 0.672131
136 ALA ALA SER LEU TYR GLU LYS LYS ALA ALA 0.421875 0.821429
137 ORT PHE 66N 0.421569 0.611111
138 GLU LEU ARG SER ARG TYR TRP ALA ILE 0.421053 0.695652
139 ASP SEP TYR GLU VAL LEU ASP LEU 0.42029 0.721311
140 THR ASN GLU TYR LYS VAL 0.420168 0.867925
141 ASP ASP ASP ASP TYR 0.42 0.76
142 ASN GLN LEU ALA TRP PHE ASP THR ASP LEU 0.41958 0.789474
143 TYR GLN SER LYS LEU 0.418803 0.836364
144 ARG HIS ARG MLZ VAL LEU ARG ASP ASN TYR 0.418301 0.685714
145 TYR LEU ASP SER GLY ILE HIS SER GLY ALA 0.418182 0.792453
146 GLY ALA GLU THR PHE TYR VAL ASP GLY ALA 0.41791 0.821429
147 SER PHE PHE GLU ASP ASN PHE VAL PRO GLU 0.41791 0.671642
148 SER ILE TYR PHE TPO PRO GLU LEU TYR ASP 0.417722 0.64
149 LEU ALA ILE TYR SER 0.417391 0.759259
150 ALA ALA TRP LEU PHE GLU ALA 0.416667 0.745455
151 ILE ASP TRP PHE ASP GLY LYS GLU 0.416667 0.677419
152 GLN SER TYR TPO VAL 0.416667 0.709677
153 ILE LEU ALA LYS PHE LEU HIS GLU LEU 0.416058 0.688525
154 GLU LEU ASP LYS TRP ALA ASN 0.416058 0.733333
155 LEU TYR LEU VAL CYS GLY GLU ARG VAL 0.415493 0.75
156 ACE ILE TYR GLU SER LEU 0.415254 0.814815
157 SER LEU PHE ASN THR ILE ALA VAL LEU 0.414815 0.745455
158 LYS LEU PRO ALA GLN PHE TYR ILE LEU 0.414474 0.69697
159 ASP PHE GLU GLU ILE PRO GLY GLU TYR LEU 0.414474 0.712121
160 ASP GLU LEU GLU ILE LYS ALA TYR 0.413534 0.818182
161 CYS THR PHE LYS THR LYS THR ASN 0.413223 0.736842
162 LYS MET ASN THR GLN PHE THR ALA VAL 0.413043 0.733333
163 ARG PRO GLY ASN PHE LEU GLN SER SER PRO 0.413043 0.688525
164 ASN SER THR LEU GLN 0.412844 0.722222
165 PRO GLU SEP LEU GLU SER CYS PHE 0.412698 0.650794
166 LEU TYR LEU VAL CYS GLY GLU ARG GLY 0.411348 0.75
167 THR LYS ASN TYR LYS GLN THR SER VAL 0.410448 0.807018
168 LYS LEU PHE SER PHE GLY GLY 0.410256 0.719298
169 PHE GLU ASP LEU ARG VAL LEU SER PHE 0.410072 0.721311
170 PHE GLU ASP LEU ARG VAL SER SER PHE 0.410072 0.721311
171 ARG VAL ALA GLN LEU GLU GLN VAL TYR ILE 0.410072 0.745763
172 GLU THR VAL ARG PHE GLN SER ASP 0.408759 0.7
173 PHE ALA PRO GLY ASN TYR PRO ALA LEU 0.408163 0.731343
174 ARG MET PHE PRO ASN ALA PRO TYR LEU 0.407643 0.636364
175 ARG GLY TYR VAL TYR GLN GLY LEU 0.407407 0.779661
176 ILE ASP TRP PHE GLU GLY LYS GLU 0.406897 0.677419
177 GLY GLY LYS LYS LYS TYR LYS LEU 0.40678 0.8
178 VAL GLN GLN GLU SER SER PHE VAL MET 0.404762 0.724138
179 VAL VAL SER HIS PHE ASN ASP 0.403101 0.688525
180 LYS ALA VAL TYR ASN PHE ALA THR MET 0.402985 0.803571
181 GLY LEU MET TRP LEU SER TYR PHE VAL 0.402778 0.723077
182 ACE LEU PHE 0.402062 0.68
183 ASP ALA ASP GLU GLU ASP PHE 0.401786 0.78
184 ASP ASN ARG LEU GLY LEU VAL TYR TRP PHE 0.401639 0.763636
185 VAL TYR ARG SER LEU SEP PHE GLU 0.401575 0.645161
186 GLU LEU ASP ORN TRP ALA SER 0.40146 0.704918
187 GLN ASN TYR PRO ILE VAL GLN 0.40146 0.734375
188 LEU LEU PHE GLY PHE PRO VAL TYR VAL 0.4 0.71875
189 ALA GLN PHE SER ALA SER ALA SER ARG 0.4 0.655738
190 LEU LEU PHE GLY TYR PRO VAL TYR VAL 0.4 0.71875
Similar Ligands (3D)
Ligand no: 1; Ligand: GLU ASN LEU TYR PHE GLN; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5D9G; Ligand: GLU ASN LEU TYR PHE GLN; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 5d9g.bio2) has 15 residues
No: Leader PDB Ligand Sequence Similarity
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