Receptor
PDB id Resolution Class Description Source Keywords
4X3H 2.4 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF ARC N-LOBE COMPLEXED WITH STARGAZIN PEP RATTUS NORVEGICUS ENDOCYTOSIS MEDIATOR SIGNALING PROTEIN
Ref.: STRUCTURAL BASIS OF ARC BINDING TO SYNAPTIC PROTEIN IMPLICATIONS FOR COGNITIVE DISEASE. NEURON V. 86 490 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ARG ILE PRO SER TYR ARG TYR ARG TYR B:225;
Valid;
Atoms found LESS than expected: % Diff = 0.011;
Ki = 96 uM
1261.5 n/a O=C(N...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4X3H 2.4 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF ARC N-LOBE COMPLEXED WITH STARGAZIN PEP RATTUS NORVEGICUS ENDOCYTOSIS MEDIATOR SIGNALING PROTEIN
Ref.: STRUCTURAL BASIS OF ARC BINDING TO SYNAPTIC PROTEIN IMPLICATIONS FOR COGNITIVE DISEASE. NEURON V. 86 490 2015
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 4X3H Ki = 96 uM ARG ILE PRO SER TYR ARG TYR ARG TYR n/a n/a
2 4X3I - ALA THR ARG ASN PHE SER GLY 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 4X3H Ki = 96 uM ARG ILE PRO SER TYR ARG TYR ARG TYR n/a n/a
2 4X3I - ALA THR ARG ASN PHE SER GLY 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 4X3H Ki = 96 uM ARG ILE PRO SER TYR ARG TYR ARG TYR n/a n/a
2 4X3I - ALA THR ARG ASN PHE SER GLY n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ARG ILE PRO SER TYR ARG TYR ARG TYR; Similar ligands found: 225
No: Ligand ECFP6 Tc MDL keys Tc
1 ARG ILE PRO SER TYR ARG TYR ARG TYR 1 1
2 SER SER TYR ARG ARG PRO VAL GLY ILE 0.65035 0.945205
3 ASN ARG PRO VAL TYR ILE PRO ARG PRO PRO 0.633094 0.902778
4 ARG ARG LEU PRO ILE PHE SER ARG LEU 0.6 0.890411
5 TYR PRO LYS ARG ILE ALA 0.597122 0.888889
6 ALA ASN SER ARG TYR PRO THR SER ILE ILE 0.58 0.918919
7 ARG LEU TYR GLN ASN PRO THR THR TYR ILE 0.570513 0.945946
8 GLN VAL PRO SER ASP PRO TYR ASN TYR 0.566434 0.813333
9 GLU VAL ALA PRO PRO GLU TYR HIS ARG LYS 0.553571 0.831169
10 ASP PHE GLU GLU ILE PRO GLU GLU TYS 0.546667 0.705882
11 PRO PRO ARG PRO ILE TYR ASN ARG ASN 0.543046 0.917808
12 ARG ILE ILE PRO ARG HIS LEU GLN LEU 0.538462 0.789474
13 ALA ILE ALA TYR PHE ILE PRO ASP GLN ALA 0.537415 0.794521
14 ASP PHE GLU GLU ILE PRO GLY GLU TYR LEU 0.535032 0.810811
15 ARG ARG ARG GLU ARG SER PRO THR ARG 0.531915 0.835616
16 ASN PHE ASP ASN PRO VAL TYR ARG LYS THR 0.530488 0.906667
17 ARG VAL SER PRO SER THR SER TYR THR PRO 0.529412 0.819444
18 ALA ARG SER HIS SEP TYR PRO ALA 0.528302 0.860759
19 ARG SEP PRO VAL PHE SER 0.526667 0.782051
20 DTY ILE ARG LEU LPD 0.524823 0.875
21 TYR TYR SER ILE ILE PRO HIS SER ILE 0.523179 0.878378
22 LYS TYR TYR SER ILE ILE PRO HIS SER ILE 0.523179 0.878378
23 SER PRO LYS ARG ILE ALA 0.514493 0.847222
24 DPN PRO DAR ILE NH2 0.511278 0.802817
25 ALA ILE MET PRO ALA ARG PHE TYR PRO LYS 0.508876 0.881579
26 ARG PRO LYS ARG ILE ALA 0.507246 0.805556
27 TYR PRO SER LYS PRO ASP ASN PRO GLY GLU 0.507246 0.794521
28 ARG ARG ARG ARG SER TRP TYR 0.507143 0.808219
29 PHE GLU ALA ILE PRO ALA GLU TYR LEU 0.506494 0.77027
30 ARG PRO MET THR TYR LYS GLY ALA LEU 0.506024 0.835443
31 ARG MET PHE PRO ASN ALA PRO TYR LEU 0.503067 0.85
32 SER ILE TYR PHE TPO PRO GLU LEU TYR ASP 0.502994 0.8
33 ASP ARG VAL TYR ILE HIS PRO PHE 0.502959 0.881579
34 TRP GLU TYR ILE PRO ASN VAL 0.5 0.792208
35 ARG LEU TYR HIS SEP LEU PRO ALA 0.5 0.85
36 CYS THR PRO SER ARG 0.5 0.821918
37 ASN TYR THR PRO GLY PRO GLY ILE ARG PHE 0.494048 0.932432
38 GLU ARG THR ILE PRO ILE THR ARG GLU 0.493056 0.863014
39 ARG PRO GLY ASN PHE LEU GLN SER ARG LEU 0.490909 0.853333
40 ASP TYR GLU PRO ILE PRO GLU GLU ALA PHE 0.490566 0.821918
41 ARG TYR PRO LEU THR PHE GLY TRP CYS PHE 0.489011 0.907895
42 ASP PHE GLU GLU ILE PRO GLY GLU PTR 0.487805 0.772152
43 ASP VAL GLN THR GLY ARG ARG PRO TYR GLU 0.487654 0.891892
44 LYS LEU PRO ALA GLN PHE TYR ILE LEU 0.4875 0.797297
45 VAL SER GLN ASN TYR PRO ILE VAL GLN ASN 0.486842 0.837838
46 PHE TYR ARG TYR GLY PHE VAL ALA ASN PHE 0.486111 0.693333
47 ILE GLY PRO GLY ARG ALA PHE TYR ALA 0.484472 0.890411
48 LYS LEU TYR GLN ASN PRO THR THR TYR ILE 0.484472 0.851351
49 GLN VAL PRO LEU ARG PRO MET THR TYR LYS 0.482558 0.858974
50 TYR TYR SER ILE ALA PRO HIS SER ILE 0.481013 0.878378
51 ARG GLN PHE GLY PRO ASP PHE PRO THR ILE 0.47929 0.931507
52 DPN PRO DAR DTH NH2 0.477941 0.830986
53 LYS ARG ARG ARG HIS PRO SER GLY 0.47651 0.824324
54 LYS ARG ARG ARG HIS PRO SER 0.47619 0.808219
55 SER ARG ASP HIS SER ARG THR PRO MET 0.47561 0.822785
56 LEU PRO PHE ASP ARG THR THR ILE MET 0.47561 0.833333
57 ARG ARG ILE TYR ASP LEU ILE GLU LEU 0.473333 0.72973
58 ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU 0.473054 0.709302
59 ILE ARG TYR PRO LYS THR PHE GLY TRP 0.47191 0.92
60 ILE GLY PRO GLY ARG ALA PHE TYR THR ILE 0.470588 0.931507
61 ASN TYR THR PRO GLY PRO GLY THR ARG PHE 0.470238 0.918919
62 PRO THR SEP PRO SER TYR 0.470199 0.779221
63 GLY GLU ARG THR ILE PRO ILE THR ARG GLU 0.469799 0.863014
64 GLY ARG PRO ARG THR THR SER PHE ALA GLU 0.469136 0.876712
65 ALA ASN SER ARG PHE PRO THR SER ILE ILE 0.469136 0.878378
66 5JP PRO LYS ARG ILE ALA 0.468966 0.824324
67 ACE GLN PM3 GLU GLU ILE PRO 0.468531 0.692308
68 GLN ARG SER THR SEP THR PRO ASN VAL HIS 0.467949 0.7625
69 ARG THR TYR SEP GLY PRO MET ASN LYS VAL 0.466667 0.8
70 ALA ASN SER ARG VAL PRO THR SER ILE ILE 0.466216 0.863014
71 ARG ILE PHE SER 0.466165 0.690141
72 ARG SER ALA SEP GLU PRO SER LEU 0.464968 0.775
73 ARG SER HIS SEP SER PRO ALA SER LEU GLN 0.464706 0.790123
74 PHE TYR ALA PRO GLU PRO ILE THR SER LEU 0.463415 0.853333
75 LEU GLN ARG VAL LEU SEP ALA PRO PHE 0.462025 0.7625
76 LEU PRO PHE GLU ARG ALA THR ILE MET 0.461988 0.820513
77 ARG PRO GLY ASN PHE LEU GLN SER SER PRO 0.461538 0.878378
78 THR PRO ARG ARG SER MLZ SER ALA 0.461538 0.84
79 ARG TYR PRO LEU THR PHE GLY TRP 0.460227 0.894737
80 DMG PRO ARG ARG ARG SER ARG LYS PRO 0.459854 0.826667
81 LEU PRO PRO LEU ASP ILE THR PRO TYR 0.459119 0.797297
82 TRP MET ASP PHE ASP ASP ASP ILE PRO PHE 0.458647 0.684932
83 TRP ASP ILE PRO PHE 0.458647 0.684932
84 ALA ASN SER ARG TRP PRO THR SER ALY ILE 0.458333 0.894737
85 LYS PRO ILE VAL GLN TYR ASP ASN PHE 0.457831 0.826667
86 DPN PRO DAR CYS NH2 0.455882 0.736111
87 GLN ALA SER TPO PRO ARG NIT 0.454545 0.755814
88 GLY TYR GLN ASP TYR GLU PRO GLU ALA 0.454545 0.726027
89 N7P THR SEP PRO SER TYR SET 0.453947 0.78481
90 GLN ASN TYR PRO ILE VAL GLN 0.453333 0.773333
91 ASN ARG PRO ILE LEU SER LEU 0.452703 0.826667
92 GLY TYR GLU ASN PRO THR TYR LYS PHE PHE 0.451219 0.810811
93 GLU THR VAL ARG PHE GLN SER ASP 0.45098 0.689189
94 VAL PRO LEU ARG PRO MET THR TYR 0.450617 0.87013
95 GLU SER ASP PRO ILE VAL ALA GLN TYR 0.450617 0.837838
96 ARG THR PRO SEP LEU PRO THR 0.450331 0.807692
97 ALA ARG THR GLU LEU TYR ARG SER LEU 0.449664 0.756757
98 SER TYR SEP PRO THR SEP PRO SEP TYR SER 0.449664 0.766234
99 PHQ LEU VAL ARG TYR 0.44898 0.72
100 ALA ASN SER ARG TRP PRO THR THR ARG LEU 0.448718 0.88
101 ARG PRO GLY ASN PHE PHE GLN SER ARG PRO 0.448485 0.878378
102 LYS VAL PRO ARG ASN GLN ASP TRP LEU 0.448276 0.818182
103 ARG ARG ALA SEP ALA PRO LEU PRO 0.448052 0.772152
104 SER SER LEU GLU ASN PHE ARG ALA TYR VAL 0.447853 0.76
105 GLU GLU PRO THR VAL ILE LYS LYS TYR 0.447205 0.797297
106 HIS HIS ALA SER PRO ARG LYS 0.446541 0.835616
107 SER ASP TYR GLN ARG LEU 0.445255 0.689189
108 LEU PRO PHE GLU ARG ALA THR VAL MET 0.444444 0.807692
109 VAL TYR ILE HIS PRO PHE 0.44375 0.797297
110 ARG VAL ALA SER PRO THR SER GLY VAL 0.443709 0.824324
111 GLU TYR LEU GLY LEU ASP VAL PRO VAL 0.443038 0.756757
112 LYS PRO VAL LEU ARG THR ALA 0.442953 0.835616
113 VAL MET ALA PRO ARG THR LEU PHE LEU 0.442424 0.807692
114 ALA ASN SER ARG ALA PRO THR SER ILE ILE 0.442308 0.84
115 ARG PRO MET THR PHE LYS GLY ALA LEU 0.44186 0.797468
116 TYR GLN PHE GLY PRO ASP PHE PRO ILE ALA 0.441176 0.849315
117 ARG PRO PRO GLY PHE SER PRO PHE ALA 0.440994 0.888889
118 ASN ASP LYS TYR GLU PRO PHE TRP GLU 0.440678 0.75
119 SER HIS PRO ARG PRO ILE ARG VAL 0.440252 0.866667
120 PHE ARG TYR LEU GLY 0.439716 0.716216
121 ARG PRO ARG PRO ASP ASP LEU GLU ILE 0.43871 0.810811
122 ARG GLN ALA SEP ILE GLU LEU PRO SER MET 0.438202 0.75
123 LYS PRO ILE VAL VAL LEU HIS GLY TYR 0.43787 0.776316
124 HIS SER ILE THR TYR LEU LEU PRO VAL 0.437126 0.853333
125 ILE SER PRO ARG THR LEU ASP ALA TRP 0.436464 0.894737
126 ARG TYR PRO LEU THR LEU GLY TRP CYS PHE 0.43617 0.896104
127 DPN PRO ARG 0.435115 0.736111
128 ARG VAL ALA GLN LEU GLU GLN VAL TYR ILE 0.435065 0.689189
129 ILE PRO ALA TYR GLY VAL LEU THR ILE 0.434783 0.797297
130 LYS ARG LYS SER ARG TRP ASP GLU THR PRO 0.434286 0.88
131 ARG PRO GLY ASN PHE LEU GLN SER ARG PRO 0.433526 0.866667
132 TYR PRO TYR 0.432 0.722222
133 ALA TYR ARG 0.432 0.676056
134 SER LEU SER ARG THR PRO ALA ASP GLY ARG 0.43125 0.849315
135 ASN ARG PRO VAL TYR ILE PRO PRO PRO PRO 0.430464 0.791667
136 SER ARG ILE ARG ILE ARG GLY TYR VAL ARG 0.430464 0.783784
137 MET TRP ARG PRO TRP 0.43038 0.766234
138 ALA ASN SER ARG ALY PRO THR SER ILE ILE 0.430303 0.842105
139 TYR PRO PHE PHE NH2 0.42963 0.746479
140 ALA ARG MLZ SER ALA PRO ALA THR 0.42953 0.802632
141 GLU LEU LYS ARG LYS MET ILE TYR MET 0.429487 0.679487
142 ALA ASN SER ARG TRP PRO ALY SER ILE ILE 0.429448 0.776316
143 ASN ASP TRP LEU LEU PRO SER TYR 0.429412 0.831169
144 ARG GLN PHE GLY PRO ASP TRP ILE VAL ALA 0.427807 0.828947
145 SER PRO THR SER PRO SEP TYR SER PRO PRO 0.427673 0.779221
146 PHE LEU PRO SER ASP PHE PHE PRO SER VAL 0.427632 0.810811
147 SER SER ARG LYS GLU TYR TYR ALA 0.427536 0.726027
148 LEU TYR ALA SER PRO GLN LEU GLU GLY PHE 0.426901 0.824324
149 VAL PRO TYR SER SER ALA GLN NAG 0.426752 0.772152
150 ARG PHE PRO LEU THR PHE GLY TRP 0.426136 0.868421
151 ASP PHE GLU GLU ILE PRO GLY GLU TYS LEU 0.426035 0.709302
152 THR PRO TYR ASP ILE ASN GLN MET LEU 0.426035 0.759494
153 ALA THR VAL ARG THR TYR SER CYS 0.424658 0.72973
154 PHE ASN ARG PRO VAL 0.424658 0.773333
155 ARG GLY PRO GLY ARG ALA PHE VAL THR ILE 0.424419 0.878378
156 ASN GLY TYR GLU ASN PRO THR TYR LYS 0.424242 0.824324
157 PHE PRO ARG 0.424242 0.732394
158 ASN TRP SER HIS PRO GLN PHE GLU LYS 0.424051 0.68
159 LEU PHE GLY TYR PRO VAL TYR VAL 0.424051 0.77027
160 MET TYR TRP TYR PRO TYR 0.423077 0.717949
161 GLY GLY ARG LYS LYS TYR LYS LEU 0.422535 0.716216
162 GLY GLY LYS LYS LYS TYR ARG LEU 0.422535 0.716216
163 GLY GLY LYS LYS ARG TYR LYS LEU 0.422535 0.716216
164 ARG VAL ALA SEP PRO THR SER GLY VAL 0.42236 0.7625
165 SER ALA PRO ASP THR ARG PRO ALA 0.421053 0.851351
166 PRO GLN PTR GLU PTR ILE PRO ALA 0.420732 0.759494
167 ALA ALA ARG KCR SER ALA PRO ALA 0.420382 0.810811
168 ARG PRO LYS PRO LEU VAL ASP PRO 0.41958 0.791667
169 LEU LEU PHE GLY LYS PRO VAL TYR VAL 0.419162 0.783784
170 PRO ARG PRO ILE LEU LEU PRO TRP ARG NH2 0.419162 0.824324
171 GLU LEU ARG ARG LYS MET MET TYR MET 0.418919 0.679487
172 LEU PRO PHE ASP LYS SER THR ILE MET 0.418605 0.75641
173 SER GLU LEU GLU ILE LYS ARG TYR 0.418301 0.77027
174 ALA LEU PRO HIS ALA ILE LEU ARG LEU 0.418182 0.786667
175 MET SER LEU PRO GLY ARG TRP LYS PRO LYS 0.417582 0.825
176 ARG GLY TYR VAL TYR GLN GLY LEU 0.417219 0.716216
177 ALA VAL ALA PHE TYR ILE PRO ASP GLN ALA 0.416107 0.791667
178 TYR PRO ASN VAL ASN ILE HIS ASN PHE 0.415205 0.828947
179 LEU LEU PHE GLY PHE PRO VAL TYR VAL 0.414634 0.77027
180 GLU LEU ASN ARG LYS MET ILE TYR MET 0.414634 0.696203
181 PRO GLN PTR GLU GLU ILE PRO ILE 0.414634 0.734177
182 LEU LEU PHE GLY TYR PRO VAL TYR VAL 0.414634 0.77027
183 PRO SER ILE ASP ARG SER THR LYS PRO 0.414634 0.890411
184 DVA DPR GLY DSN DGN DHI DTY DAS DSN 0.414201 0.828947
185 ARG THR PRO SEP LEU PRO THR 49F 0.414201 0.759036
186 ILE ARG ALA ALA PRO PRO PRO LEU PHE 0.41358 0.824324
187 PRO PRO LYS ARG ILE ALA 0.413333 0.805556
188 VAL ALA PHE ARG SER 0.413043 0.652778
189 VAL LYS VAL VAL ALA LYS LYS TYR ARG ASN 0.412587 0.706667
190 PHE GLN PRO GLN ASN GLY GLN PHE ILE 0.4125 0.77027
191 PHE ALA PRO GLY PHE PHE PRO TYR LEU 0.4125 0.786667
192 GLY ALA ALA ARG ALA GLU VAL TYR LEU ARG 0.4125 0.693333
193 ARG GLY TYR LEU TYR GLN GLY LEU 0.412162 0.716216
194 ILE THR ASP GLN VAL PRO PHE SER VAL 0.412121 0.797297
195 ARG PHE PRO LEU THR PHE GLY TRP CYS PHE 0.411765 0.87013
196 ARG GLU ARG SER PRO THR ARG 0.411765 0.794521
197 THR LYS PRO ARG 0.410853 0.722222
198 ALA ASN SER ARG TRP PRO THR SER FAK ILE 0.410811 0.85
199 SER ARG TYR TRP ALA ILE ARG THR ARG 0.410714 0.851351
200 ILE MET ASP GLN VAL PRO PHE SER VAL 0.410714 0.74359
201 ACE TYR PRO ILE GLN GLU THR 0.410256 0.77027
202 ALA PRO ASP THR ARG PRO ALA PRO 0.409396 0.837838
203 TYR HIS SEP VAL VAL ARG TYR ALA 0.408537 0.7625
204 ALA PRO ASP THR ARG PRO 0.408163 0.837838
205 3BY PRO LYS ARG ILE ALA 0.407895 0.776316
206 ASN PRO ARG ALA MET GLN ALA LEU LEU 0.407643 0.721519
207 ALA ASN SER ARG TRP PRO THR SER 2KK ILE 0.407407 0.8625
208 PHE SER ALA PTR PRO SER GLU GLU ASP 0.407186 0.772152
209 SER SER PHE TYR PRO SEP ALA GLU GLY 0.40625 0.746835
210 TYR SEP PRO THR SEP PRO SER 0.405405 0.769231
211 ACE GLN GLU ARG GLU VAL PRO CYS 0.405229 0.723684
212 ALA PRO SER PTR VAL ASN VAL GLN ASN 0.404908 0.743902
213 TYR MET PHE PRO ASN ALA PRO TYR LEU 0.404762 0.7625
214 SER SER ILE GLU PHE ALA ARG LEU 0.403846 0.702703
215 ARG PRO GLN VAL PRO LEU ARG PRO MET 0.403727 0.74359
216 ALA TRP ARG HIS PRO GLN PHE GLY GLY 0.403315 0.776316
217 LEU ASP PRO ARG 0.402878 0.743243
218 PCA PHE ARG HIS ASP SER GLY TYR GLU VAL 0.402174 0.815789
219 SER THR GLY GLY VAL M3L LYS PRO HIS ARG 0.40107 0.802469
220 ALA ASN SER ARG TRP PRO THR SER 2KP ILE 0.401042 0.8625
221 DHI PRO PHE HIS LEU LEU VAL TYR 0.4 0.773333
222 GLY LEU LEU GLY SER PRO VAL ARG ALA 0.4 0.797297
223 SER PRO LEU ASP SER LEU TRP TRP ILE 0.4 0.802632
224 GLU PRO GLY GLY SER ARG 0.4 0.794521
225 LEU TYR LEU VAL CYS GLY GLU ARG VAL 0.4 0.693333
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4X3H; Ligand: ARG ILE PRO SER TYR ARG TYR ARG TYR; Similar sites found: 18
This union binding pocket(no: 1) in the query (biounit: 4x3h.bio1) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3SJK LYS PRO VAL LEU ARG THR ALA 0.001028 0.47616 None
2 5BVE 4VG 0.02951 0.40682 None
3 4EUU BX7 0.009888 0.4004 None
4 3CV6 HXS 0.01327 0.40994 3.79747
5 3CV6 NAP 0.01402 0.40787 3.79747
6 3G5D 1N1 0.03435 0.40031 5.06329
7 2ZV2 609 0.01719 0.40221 7.59494
8 1N62 FAD 0.01267 0.40988 11.3924
9 4BCN T9N 0.007411 0.41577 12.6582
10 1FFU FAD 0.01726 0.40173 12.6582
11 2UUU PL3 0.03455 0.40087 12.6582
12 2UUU FAD 0.03455 0.40087 12.6582
13 4ZOM 4Q3 0.008814 0.4054 16.4557
14 3HRD FAD 0.01078 0.41599 17.7215
15 2VO4 4NM 0.003535 0.4485 18.9873
16 4F4P 0SB 0.0309 0.40456 18.9873
17 4B1X LAB 0.01681 0.40678 20.2532
18 2JLD AG1 0.01209 0.40435 31.6456
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