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 1610 families.
1 4X3H Kd = 59.4 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 1331 families.
1 4X3H Kd = 59.4 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 1144 families.
1 4X3H Kd = 59.4 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 (2D)
Ligand no: 1; Ligand: ALA THR ARG ASN PHE SER GLY; Similar ligands found: 116
No: Ligand ECFP6 Tc MDL keys Tc
1 ALA THR ARG ASN PHE SER GLY 1 1
2 LEU ARG ASN GLN SER VAL PHE ASN PHE 0.559055 0.866667
3 GLY ASN CYS PHE SER LYS ARG ARG ALA ALA 0.543307 0.963636
4 GLU THR VAL ARG PHE GLN SER ASP 0.538462 0.910714
5 PHE ARG SER LYS GLY GLU GLU LEU PHE THR 0.535088 0.875
6 ARG GLN VAL ASN PHE LEU GLY LYS ILE ASN 0.521368 0.714286
7 ALA GLN PHE SER ALA SER ALA SER ARG 0.516667 0.927273
8 SER LEU ARG PHE LEU TYR GLU GLY 0.507692 0.83871
9 ALA ASN SER ARG PHE PRO THR SER ILE ILE 0.506849 0.794118
10 ALA ASN SER ARG TRP GLN ASP THR ARG LEU 0.503448 0.80303
11 GLY ASN PHE LEU GLN SER ARG 0.5 0.929825
12 ARG GLN ALA ASN PHE LEU GLY LYS ILE ASN 0.5 0.714286
13 VAL ALA PHE ARG SER 0.495726 0.854545
14 GLU GLU ASN LEU LEU ASP PHE VAL ARG PHE 0.489051 0.816667
15 ALA ARG THR GLU LEU TYR ARG SER LEU 0.488722 0.852459
16 ALA ASN SER ARG TRP ALY THR SER ILE ILE 0.486667 0.779412
17 ALA ASN SER ARG TRP GLN THR SER ILE ILE 0.482993 0.815385
18 ARG ILE PHE SER 0.474576 0.839286
19 SER PHE ALA ASN GLY 0.473214 0.814815
20 SER SER LEU GLU ASN PHE ARG ALA TYR VAL 0.472973 0.854839
21 ALA VAL TYR ASN PHE ALA THR MET 0.462121 0.636364
22 ASP ALA GLU PHE ARG HIS ASP 0.460317 0.836364
23 ALA GLN ASP ILE TYR ARG ALA SER TYR 0.458333 0.83871
24 ALA ARG THR M3L GLN THR ALA 2MR LYS 0.458333 0.716418
25 GLY ALA GLN THR PHE TYR VAL ASP GLY ALA 0.458015 0.737705
26 ALA LYS PHE ARG HIS ASP 0.458015 0.71875
27 THR PHE LYS LYS THR ASN 0.453782 0.807018
28 ILE ASN PHE ASP PHE ASN THR ILE 0.453782 0.683333
29 PHE TYR ARG TYR GLY PHE VAL ALA ASN PHE 0.453782 0.745763
30 GLU GLU PHE GLY ARG ALA PHE SER PHE 0.452555 0.877193
31 GLY ALA PHE THR PHE ASN GLU ASP PHE 0.451613 0.706897
32 ALA ARG THR MLY GLN THR ALA ARG LYS TYR 0.45082 0.738462
33 ALA PHE THR SER 0.448598 0.740741
34 ARG PRO GLY ASN PHE PHE GLN SER ARG PRO 0.446809 0.822581
35 ARG PRO GLY ASN PHE LEU GLN SER ARG LEU 0.446541 0.779412
36 ALA ARG THR ALY GLN THR ALA 0.446281 0.827586
37 SER SER ILE GLU PHE ALA ARG LEU 0.446043 0.87931
38 LYS LEU PHE SER PHE GLY GLY 0.445378 0.716667
39 ARG ABA PHE ILE PHE ALA ASN ILE 0.443609 0.813559
40 GLN THR ALA ARG M3L SER THR GLY 0.443609 0.731343
41 ALA PHE ARG ILE PRO LEU THR ARG 0.442177 0.728571
42 CYS ASP PTR ALA ASN PHE LYS 0.441441 0.732143
43 PHE ARG TYR LEU GLY 0.440945 0.774194
44 PHE GLU ASP LEU ARG LEU LEU SER PHE 0.440298 0.864407
45 ARG PRO GLY ASN PHE LEU GLN ASN ARG PRO 0.440298 0.857143
46 PHE GLU ASP LEU ARG VAL SER SER PHE 0.439716 0.864407
47 PHE GLU ASP LEU ARG VAL LEU SER PHE 0.439716 0.864407
48 SER LEU PHE ASN THR VAL ALA THR LEU TYR 0.438849 0.704918
49 ARG PRO GLY ASN PHE LEU GLN SER ARG PRO 0.43871 0.768116
50 LYS ALA VAL PHE ASN PHE ALA THR MET 0.438462 0.66129
51 ALA ASN SER ARG TRP GLN VAL THR ARG VAL 0.43662 0.815385
52 LYS GLN THR ALA ARG M3L SER THR GLY 0.436508 0.731343
53 CYS THR PHE LYS THR LYS THR ASN 0.435484 0.793103
54 GLU ARG GLU SEP GLU PHE ASP ILE GLU ASP 0.435374 0.753846
55 ALA SER ASN SER ILE ALA SER GLY 0.434783 0.75
56 SER GLU ILE GLU PHE ALA ARG LEU 0.434783 0.862069
57 ARG ABA VAL ILE PHE ALA ASN ILE 0.433824 0.827586
58 ARG LYS LYS ARG TYR THR VAL VAL GLY ASN 0.433566 0.883333
59 ARG TYR GLY PHE VAL ALA ASN PHE 0.432624 0.836066
60 ALA ALA LEU THR ARG ALA 0.432203 0.821429
61 SER LEU PHE ASN THR VAL ALA THR LEU 0.431818 0.754386
62 ALA ARG THR M3L GLN THR ALA ARG LYS SER 0.430894 0.716418
63 ARG PRO GLY ASN PHE PHE GLN ASN ARG PRO 0.429752 0.706897
64 SER ARG ARG TRP ARG ARG TRP ASN ARG 0.427481 0.769231
65 ARG ARG LEU ILE PHE NH2 0.427419 0.77193
66 THR GLU ASN LEU TYR PHE GLN SER GLY THR 0.426573 0.774194
67 ALA ARG THR ALA ALA THR ALA ARG LYS SER 0.426087 0.87037
68 ALA ARG 9AT 0.425743 0.851852
69 ALA VAL TYR ASP GLY ARG GLU HIS THR VAL 0.424837 0.80303
70 ALA ILE PHE GLN SER SER MET THR LYS 0.42446 0.730159
71 ALA THR ALY ALA ALA ARG ALY SER ALA PRO 0.42446 0.735294
72 VAL VAL SER HIS PHE ASN ASP 0.424242 0.6875
73 ALA ARG THR MLZ GLN THR ALA ARG LYS TYR 0.424 0.770492
74 ALA ARG THR MLY GLN THR ALA ARG LYS 0.424 0.723077
75 ARG SER MLZ SER ASP GLY 0.422764 0.774194
76 LYS MET ASN THR GLN PHE THR ALA VAL 0.422535 0.730159
77 CYS VAL ASN GLY SER CYS PHE THR VAL 0.422222 0.807018
78 ALA ARG THR MLY GLN 0.421488 0.712121
79 VAL SER PHE ASN FRD PRO GLN ILE THR ALA 0.421053 0.676056
80 LEU PRO PHE ASP ARG THR THR ILE MET 0.420382 0.702703
81 ARG ARG ARG GLU THR GLN VAL 0.420168 0.842105
82 ALA ILE ARG SER 0.419643 0.785714
83 ALA ARG THR MLY GLN THR ALA ARG LYS SER 0.418803 0.854545
84 ARG GLY PHE ALA LEU M3L SER THR HIS GLY 0.41875 0.72973
85 ALA GLU THR PHE TYR VAL ASP GLY 0.418605 0.672131
86 ALA ARG THR MLY GLN THR ALA ARG MLY SER 0.418033 0.723077
87 THR LYS ASN TYR LYS GLN PHE SER VAL 0.41791 0.758065
88 PRO ALA THR ILE MET MET GLN ARG GLY ASN 0.417323 0.786885
89 LEU GLU PHE GLN GLY 0.416667 0.701754
90 GLY ARG PRO ARG THR THR SER PHE ALA GLU 0.416667 0.791045
91 ALA ARG THR LYS GLN THR ALA ARG 0.416667 0.839286
92 ILE ARG LYS ILE LEU PHE LEU ASP GLY ILE 0.416107 0.770492
93 SER LEU PHE ASN THR ILE ALA VAL LEU 0.414286 0.77193
94 ASN TYR THR PRO GLY PRO GLY THR ARG PHE 0.41358 0.736111
95 LYS ALA VAL TYR ASN PHE ALA THR MET 0.413043 0.630769
96 ASP PHE M3L THR ASP 0.412698 0.647059
97 GLY ASP GLU VAL LYS VAL PHE ARG 0.411348 0.810345
98 MET PHE SER ILE ASP ASN ILE LEU ALA 0.411348 0.698413
99 ASP ALA GLU PHE ARG HIS ASP SER 0.411348 0.730159
100 PRO LYS ARG PRO THR THR LEU ASN LEU PHE 0.411043 0.768116
101 ARG ARG LEU PRO ILE PHE SER ARG LEU 0.410596 0.728571
102 SER ARG TYR TRP ALA ILE ARG THR ARG 0.410256 0.73913
103 VAL MET ALA PRO ARG THR LEU PHE LEU 0.410256 0.675676
104 THR LYS ASN TYR LYS GLN THR SER VAL 0.410072 0.770492
105 1IP CYS PHE SER LYS PRO ARG 0.407895 0.753623
106 DPN PRO DAR DTH NH2 0.407692 0.753846
107 TYR GLU LEU ASP GLU LYS PHE ASP ARG LEU 0.406897 0.765625
108 TRP ASN TRP PHE ASP ILE THR ASN LYS 0.405405 0.61194
109 HY1 CIR VAL ARG 00S 0.404762 0.779661
110 ALA ARG THR M3L GLN THR ALA ARG LYS 0.403226 0.701493
111 ARG ARG GLU VAL HIS THR TYR TYR 0.402685 0.776119
112 ARG THR PHE SER PRO THR TYR GLY LEU 0.401274 0.726027
113 ARG GLY PRO GLY ARG ALA PHE VAL THR ILE 0.401235 0.753623
114 ARG ILE PRO SER TYR ARG TYR ARG TYR 0.4 0.712329
115 ALA ARG THR LYS GLN THR ALA ARG LYS 0.4 0.857143
116 ASN ALA LEU LEU ARG TYR LEU LEU ASP 0.4 0.85
Similar Ligands (3D)
Ligand no: 1; Ligand: ALA THR ARG ASN PHE SER GLY; 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 : 4X3H; Ligand: ARG ILE PRO SER TYR ARG TYR ARG TYR; 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: 4x3h.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
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