Receptor
PDB id Resolution Class Description Source Keywords
4X3I 1.8 Å NON-ENZYME: OTHER THE CRYSTAL STRUCTURE OF ARC N-LOBE COMPLEXED WITH CAMK2A FR 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
ALA THR ARG ASN PHE SER GLY B:309;
Valid;
Atoms found MORE than expected: % Diff = 1.132;
submit data
737.816 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: ALA THR ARG ASN PHE SER GLY; Similar ligands found: 121
No: Ligand ECFP6 Tc MDL keys Tc
1 ALA THR ARG ASN PHE SER GLY 1 1
2 GLU THR VAL ARG PHE GLN SER ASP 0.578125 0.928571
3 ALA THR VAL ARG THR TYR SER CYS 0.540984 0.85
4 GLY ALA GLN THR PHE TYR VAL ASP GLY ALA 0.528 0.737705
5 ARG GLN VAL ASN PHE LEU GLY LYS ILE ASN 0.521368 0.714286
6 ALA GLN PHE SER ALA SER ALA SER ARG 0.516949 0.927273
7 GLY ASN PHE LEU GLN SER ARG 0.515873 0.929825
8 ALA ASN SER ARG TRP ALY THR SER ILE ILE 0.514085 0.80303
9 PHE TYR ARG TYR GLY PHE VAL ALA ASN PHE 0.503876 0.803279
10 ALA ASN SER ARG PHE PRO THR SER ILE ILE 0.503448 0.794118
11 ARG GLN ALA ASN PHE LEU GLY LYS ILE ASN 0.5 0.714286
12 ALA ARG THR GLU LEU TYR ARG SER LEU 0.496183 0.852459
13 THR LYS ASN TYR LYS GLN PHE SER VAL 0.496 0.758065
14 GLU GLU ASN LEU LEU ASP PHE VAL ARG PHE 0.488889 0.816667
15 SER PHE ALA ASN GLY 0.486486 0.814815
16 PRO ALA THR ILE MET MET GLN ARG GLY ASN 0.483607 0.786885
17 VAL ALA PHE ARG SER 0.483051 0.854545
18 THR PHE LYS LYS THR ASN 0.482759 0.789474
19 ALA VAL TYR ASN PHE ALA THR MET 0.480916 0.636364
20 SER SER LEU GLU ASN PHE ARG ALA TYR VAL 0.479452 0.854839
21 ALA LYS PHE ARG HIS ASP 0.47619 0.71875
22 GLY ALA PHE THR PHE ASN GLU ASP PHE 0.471545 0.706897
23 ILE ASN PHE ASP PHE ASN THR ILE 0.470588 0.683333
24 CYS THR PHE LYS THR LYS THR ASN 0.466667 0.793103
25 GLY ARG PHE GLN VAL THR 0.462185 0.818182
26 ASP ALA GLU PHE ARG HIS ASP 0.460938 0.730159
27 ALA ILE PHE GLN SER SER MET THR LYS 0.459259 0.730159
28 ALA PHE THR SER 0.457944 0.722222
29 LYS ALA VAL PHE ASN PHE ALA THR MET 0.455224 0.703125
30 ALA ARG THR M3L GLN THR ALA ARG LYS SER 0.454545 0.716418
31 ARG PRO GLY ASN PHE LEU GLN ASN ARG PRO 0.454545 0.857143
32 ALA ARG THR M3L GLN THR ALA 0.454545 0.716418
33 ALA ARG THR M3L GLN THR ALA 2MR LYS 0.454545 0.716418
34 SER SER ILE GLU PHE ALA ARG LEU 0.452555 0.87931
35 ALA ARG THR 4WQ GLN THR ALA ARG LYS SER 0.452174 0.741935
36 ARG PRO GLY ASN PHE PHE GLN SER ARG PRO 0.450331 0.742857
37 SER LEU PHE ASN THR VAL ALA THR LEU 0.449612 0.754386
38 THR LYS ASN TYR LYS GLN THR SER VAL 0.44697 0.770492
39 ALA ARG THR ALY GLN THR ALA 0.446281 0.827586
40 ARG ILE PHE SER 0.446281 0.839286
41 ARG PRO GLY ASN PHE PHE GLN ASN ARG PRO 0.445378 0.724138
42 ILE LYS ARG SER LYS LYS ASN SER LEU ALA 0.444444 0.803571
43 THR PHE ALY SER ILE MET LYS 0.443548 0.745763
44 ALA ARG THR MLY GLN THR ALA ARG LYS TYR 0.442623 0.738462
45 ALA ARG THR MLY GLN THR ALA 0.442623 0.738462
46 LYS MET ASN THR GLN PHE THR ALA VAL 0.442029 0.714286
47 SER GLU ILE GLU PHE ALA ARG LEU 0.441176 0.862069
48 ALA GLU THR PHE TYR VAL ASP GLY 0.440945 0.655738
49 ARG PRO GLY ASN PHE LEU GLN SER ARG LEU 0.43949 0.768116
50 ALA ARG THR M3L GLN THR ALA ARG LYS 0.439024 0.716418
51 SER LEU PHE ASN THR VAL ALA THR LEU TYR 0.438849 0.704918
52 ALA SER ASN SER ILE ALA SER GLY 0.438596 0.75
53 GLU GLU PHE GLY ARG ALA PHE SER PHE 0.437956 0.877193
54 SER ARG ARG TRP ARG ARG TRP ASN ARG 0.4375 0.769231
55 GLY ASP GLU VAL LYS VAL PHE ARG 0.437037 0.810345
56 GLN THR ALA ARG M3L SER THR GLY 0.43609 0.731343
57 ALA ARG THR LYS GLN THR ALA ARG LYS SER 0.435484 0.857143
58 VAL VAL SER HIS PHE ASN ASP 0.435115 0.6875
59 ALA ARG THR MLY GLN THR ALA ARG LYS SER 0.434783 0.854545
60 PHE ARG SER LYS GLY GLU GLU LEU PHE THR 0.434483 0.866667
61 THR GLU ASN LEU TYR PHE GLN SER GLY THR 0.433566 0.774194
62 LYS GLN THR ALA ARG M3L SER THR GLY 0.433071 0.731343
63 CYS VAL ASN GLY SER CYS PHE THR VAL 0.432836 0.807018
64 LYS ALA VAL TYR ASN PHE ALA THR MET 0.432624 0.671642
65 ALA ARG THR LYS GLN THR ALA ARG LYS 0.432 0.857143
66 ALA ARG THR LYS GLN THR ALA ARG 0.432 0.857143
67 GLU ARG GLU SEP GLU PHE ASP ILE GLU ASP 0.431507 0.753846
68 ALA ARG THR MLY GLN THR ALA ARG TYR 0.430657 0.73913
69 PHE ARG TYR LEU GLY 0.429688 0.774194
70 ARG ABA PHE ILE PHE ALA ASN ILE 0.428571 0.813559
71 ALA ARG THR MLY GLN 0.428571 0.712121
72 LEU GLU PHE GLN GLY 0.428571 0.701754
73 GLU THR LEU LEU ASP LEU ASP PHE ASP PRO 0.428571 0.637681
74 ALA ARG THR MLZ GLN THR ALA ARG LYS TYR 0.427419 0.770492
75 SER ILE ILE ASN PHE GLU LYS LEU 0.425373 0.779661
76 ARG PRO GLY ASN PHE LEU GLN SER ARG PRO 0.425 0.757143
77 MET PHE SER ILE ASP ASN ILE LEU ALA 0.42446 0.698413
78 SER LEU PHE ASN THR ILE ALA VAL LEU 0.422222 0.758621
79 THR PRO THR ARG ASP VAL ALA THR SER PRO 0.422222 0.761194
80 ALA ARG THR MLY GLN THR ALA ARG MLY SER 0.421488 0.723077
81 ALA ALA LEU THR ARG ALA 0.420168 0.821429
82 TYR GLN GLU SER THR ASP PHE THR PHE LEU 0.420168 0.644068
83 ALA GLU THR PHE 0.419643 0.709091
84 ARG ABA VAL ILE PHE ALA ASN ILE 0.419118 0.827586
85 ASN TYR THR PRO GLY PRO GLY THR ARG PHE 0.41875 0.736111
86 ARG PRO GLY ASN PHE LEU GLN SER SER PRO 0.41875 0.768116
87 ARG TYR GLY PHE VAL ALA ASN PHE 0.41844 0.836066
88 SER PHE PHE GLU ASP ASN PHE VAL PRO GLU 0.417266 0.671429
89 ASN PHE ASP ASN PRO VAL TYR ARG LYS THR 0.417178 0.726027
90 LYS ALA LEU TYR ASN PHE ALA THR MET 0.416667 0.671642
91 GLY ARG PHE ALA ALA ALA ILE ALA LYS 0.416667 0.779661
92 GLY ARG PRO ARG THR THR SER PHE ALA GLU 0.415584 0.791045
93 ILE ARG LYS ILE LEU PHE LEU ASP GLY ILE 0.414966 0.770492
94 ALA SER ASN GLU ASN TRP GLU THR MET 0.414286 0.676471
95 LEU PRO PHE ASP ARG THR THR ILE MET 0.414013 0.702703
96 THR ASN GLU PHE TYR ALA 0.412698 0.7
97 ASP PHE M3L THR ASP 0.412698 0.632353
98 TYR GLU LEU ASP GLU LYS PHE ASP ARG LEU 0.412587 0.765625
99 PRO LYS ARG PRO THR THR LEU ASN LEU PHE 0.4125 0.768116
100 TRP ASN TRP PHE ASP ILE THR ASN LYS 0.412162 0.61194
101 ALA ILE ARG SER 0.410714 0.785714
102 SER ARG TYR TRP ALA ILE ARG THR ARG 0.409091 0.73913
103 PCA PHE ARG HIS ASP SER GLY TYR GLU VAL 0.408284 0.80597
104 PCA PHE ARG HIS ASP SER 0.407143 0.71875
105 ASP ALA GLU PHE ARG HIS ASP SER 0.407143 0.730159
106 VAL MET ALA PRO ARG THR LEU PHE LEU 0.406452 0.675676
107 VAL SER PHE ASN FRD PRO GLN ILE THR ALA 0.406452 0.676056
108 ALA ASN SER ARG TRP GLN THR SER ILE ILE 0.405405 0.8
109 ILE LYS ARG SER MLZ LYS ASN SER LEU ALA 0.405172 0.754098
110 SER SER ARG LYS GLU TYR TYR ALA 0.404762 0.758065
111 ALA ARG THR MLY GLN THR ALA ARG LYS 0.40458 0.738462
112 ALA ASN SER ARG TRP GLN ASP THR ARG LEU 0.40411 0.772727
113 ARG GLY PHE ALA LEU M3L SER THR HIS GLY 0.403727 0.72973
114 ALA ARG THR M3L GLN THR ALA ARG 0.403101 0.705882
115 DPN PRO DAR DTH NH2 0.403101 0.738462
116 GLN ARG SER THR SEP THR 0.401575 0.790323
117 ARG ARG LEU ILE PHE NH2 0.401575 0.77193
118 SER THR SEP PRO THR PHE ASN LYS 0.4 0.680556
119 VAL LYS VAL VAL ALA LYS LYS TYR ARG ASN 0.4 0.819672
120 LYS ALA ALA ARG ALY SER ALA PRO ALA 0.4 0.793103
121 GLY ALA GLU THR PHE TYR VAL ASP GLY ALA 0.4 0.709677
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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