Receptor
PDB id Resolution Class Description Source Keywords
4H75 2.1 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF HUMAN SPINDLIN1 IN COMPLEX WITH A HISTO H3K4(ME3) PEPTIDE HOMO SAPIENS TUDOR DOMAIN H3K4ME3 BINDING METHYLATION GENE REGULATION
Ref.: DISTINCT MODE OF METHYLATED LYSINE-4 OF HISTONE H3 RECOGNITION BY TANDEM TUDOR-LIKE DOMAINS OF SPINDLI PROC.NATL.ACAD.SCI.USA V. 109 17954 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ALA ARG THR M3L GLN THR ALA ARG B:1;
Valid;
none;
submit data
976.172 n/a O=C([...
GOL A:301;
Invalid;
none;
submit data
92.094 C3 H8 O3 C(C(C...
NHE A:304;
Invalid;
none;
submit data
207.29 C8 H17 N O3 S C1CCC...
SO4 A:302;
A:303;
B:101;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4H75 2.1 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF HUMAN SPINDLIN1 IN COMPLEX WITH A HISTO H3K4(ME3) PEPTIDE HOMO SAPIENS TUDOR DOMAIN H3K4ME3 BINDING METHYLATION GENE REGULATION
Ref.: DISTINCT MODE OF METHYLATED LYSINE-4 OF HISTONE H3 RECOGNITION BY TANDEM TUDOR-LIKE DOMAINS OF SPINDLI PROC.NATL.ACAD.SCI.USA V. 109 17954 2012
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 4H75 - ALA ARG THR M3L GLN THR ALA ARG n/a n/a
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1205 families.
1 5JSJ Kd = 3 uM 6PD C41 H60 N6 O3 c1cc(ccc1N....
2 4MZF - ALA ARG THR M3L GLN THR ALA DA2 LYS n/a n/a
3 4MZH - ALA ARG THR M3L GLN THR ALA 2MR LYS n/a n/a
4 5JSG Kd = 15 uM 6P9 C36 H51 N5 O2 c1ccc(cc1)....
5 4H75 - ALA ARG THR M3L GLN THR ALA ARG n/a n/a
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 5JSJ Kd = 3 uM 6PD C41 H60 N6 O3 c1cc(ccc1N....
2 4MZF - ALA ARG THR M3L GLN THR ALA DA2 LYS n/a n/a
3 4MZH - ALA ARG THR M3L GLN THR ALA 2MR LYS n/a n/a
4 5JSG Kd = 15 uM 6P9 C36 H51 N5 O2 c1ccc(cc1)....
5 4H75 - ALA ARG THR M3L GLN THR ALA ARG n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ALA ARG THR M3L GLN THR ALA ARG; Similar ligands found: 103
No: Ligand ECFP6 Tc MDL keys Tc
1 ALA ARG THR M3L GLN THR ALA ARG 1 1
2 ALA ARG THR M3L GLN THR ALA ALA LYS ALA 0.811881 1
3 ALA ARG THR M3L GLN THR ALA 2MR LYS 0.731959 0.983871
4 ALA ARG THR M3L GLN THR ALA 0.731959 0.983871
5 ALA ARG THR M3L GLN THR ALA ARG LYS 0.72449 0.983871
6 ALA ARG THR M3L GLN THR ALA ARG LYS SER 0.72449 0.983871
7 ALA DA2 THR M3L GLN THR ALA ARG ALA 0.718182 0.983871
8 ALA ARG THR LYS GLN THR ALA ARG LYS 0.666667 0.806452
9 ARG ARG ARG GLU THR GLN VAL 0.653061 0.822581
10 ALA ARG THR MLY GLN 0.65 0.951613
11 ALA ARG THR M3L GLN THR ALA DA2 LYS 0.642276 0.983871
12 ALA ARG THR MLZ GLN THR ALA ARG LYS 0.642202 0.887097
13 ALA ARG THR MLY GLN THR ALA ARG TYR 0.623932 0.882353
14 GLN THR ALA ARG M3L SER 0.618182 0.968254
15 GLU ALA GLN THR ARG LEU 0.611111 0.806452
16 ALA ARG THR ALY GLN THR ALA 0.6 0.83871
17 GLN THR ALA ARG M3L SER THR GLY 0.594828 0.968254
18 THR ARG ARG GLU THR GLN LEU 0.590476 0.83871
19 ALA ARG THR MLY GLN THR ALA ARG LYS TYR 0.588785 0.951613
20 ALA ARG THR MLY GLN THR ALA 0.588785 0.951613
21 ACE GLU ALA GLN THR ARG LEU 0.587156 0.822581
22 ALA ARG THR MLY GLN THR ALA ARG LYS 0.583333 0.935484
23 ALA ARG THR MLZ GLN THR ALA ARG LYS TYR 0.583333 0.870968
24 ARG LEU GLN ARG ARG ARG GLU THR GLN VAL 0.567568 0.83871
25 PHE ALA GLY LEU ARG GLN ALA VAL THR GLN 0.566372 0.793651
26 ALA ARG THR ALA ALA THR ALA ARG LYS SER 0.554455 0.758065
27 ACE GLN THR ALA ARG PRK SER THR 0.543103 0.769231
28 LYS GLN THR ALA ARG M3L SER THR GLY 0.539823 0.968254
29 ALA ARG THR LYS GLN THR ALA ARG 0.537736 0.790323
30 ALA GLN PHE SER ALA SER ALA SER ARG 0.535088 0.727273
31 ALA ARG M3L SER THR GLY GLY ALY 0.532787 0.96875
32 ALA 2MR THR MLY GLN THR ALA ALA 0.53211 0.951613
33 ALA ARG M3L SER 0.53 0.904762
34 ALA GLN THR ALA ARG ALY SER THR 0.525424 0.825397
35 ALA ARG THR MLY GLN THR ALA ARG MLY SER 0.522936 0.935484
36 ALA ARG 9AT 0.522222 0.741935
37 ALA ARG THR MLY GLN THR ALA ARG LYS SER 0.514286 0.746032
38 ALA ALA LEU THR ARG ALA 0.514019 0.774194
39 ACE GLN THR ALA ARG KCR SER THR 0.512397 0.78125
40 ALA ARG THR 4WQ GLN THR ALA ARG LYS SER 0.509434 0.84127
41 GLN LEU ALA THR M3L ALA ALA ARG LYS SER 0.508621 0.967742
42 ACE GLN THR ALA ARG BTK SER THR 0.5 0.796875
43 SAC ARG GLY THR GLN THR GLU 0.495726 0.78125
44 ALA ARG ALA ALA ALA ALA ALA ALA ALA 0.494737 0.677419
45 ALA ARG THR GLU LEU TYR ARG SER LEU 0.492188 0.753623
46 GLN ARG ALA THR LYS MET NH2 0.483333 0.84127
47 MET ABA LEU ARG MET THR ALA VAL MET 0.48 0.828125
48 LEU GLY GLY ALA LYS GLN ARG GLY ASP VAL 0.474576 0.746032
49 ALA PRO ALA LEU ARG VAL VAL LYS 0.472727 0.741935
50 VAL ALA ARG SER 0.47 0.714286
51 MET CYS LEU ARG MET THR ALA VAL MET 0.46875 0.857143
52 LYS ALA ALA ARG M3L SER ALA 0.466102 0.936508
53 ARG ARG ALA THR LYS MET NH2 0.466102 0.84127
54 PRO ALA THR ILE MET MET GLN ARG GLY ASN 0.466102 0.8
55 ALA ARG 0.465909 0.645161
56 PHQ GLN THR ALA ARG LYS NH2 FOA 0.463768 0.689189
57 MET CYS LEU ARG NLE THR ALA VAL MET 0.458015 0.84375
58 ILE GLN GLN SER ILE GLU ARG ILE 0.457627 0.765625
59 THR ALA ARG M3L SER THR GLY GLY LYS ALA 0.45614 0.857143
60 ALA GLN ASP ILE TYR ARG ALA SER TYR 0.45 0.694444
61 LYS GLN THR SER VAL 0.45 0.666667
62 SER ARG TYR TRP ALA ILE ARG THR ARG 0.44898 0.641026
63 ACE ALA ARG THR GLU VAL TYR NH2 0.448 0.720588
64 SER SER ARG LYS GLU TYR TYR ALA 0.446281 0.671429
65 THR ILE MET MET GLN ARG GLY 0.445378 0.815385
66 ALA ARG LYS LEU ASP 0.444444 0.774194
67 ACE CSO ARG ALA THR LYS MET LEU 0.44186 0.826087
68 ACE ALA ARG THR LYS GLN 0.4375 0.774194
69 ALA ASN SER ARG TRP GLN ASP THR ARG LEU 0.435374 0.693333
70 ALA THR VAL ARG THR TYR SER CYS 0.433071 0.7
71 MET ALA ARG 0.431373 0.730159
72 ARG GLU ASP GLN GLU THR ALA VAL 0.429825 0.66129
73 LYS ALA ARG VAL LEU ALA GLU ALA MET SER 0.429688 0.761905
74 LYS ALA ARG VAL LEU ALA GLU ALA MET 0.429688 0.761905
75 ALA ARG MLZ SER ALA PRO ALA THR 0.42963 0.805556
76 ARG ARG ALA ALA 0.425743 0.693548
77 ALA ASN SER ARG TRP GLN THR SER ILE ILE 0.425676 0.657895
78 ALA THR ALY ALA ALA ARG ALY SER ALA PRO 0.425373 0.75
79 ALA ARG MLY SER THR GLY GLY ALY 0.424242 0.9375
80 ALA ARG MLZ SER THR GLY GLY ALY 0.424242 0.875
81 ALA PHE ARG ILE PRO LEU THR ARG 0.423611 0.743243
82 LEU GLU LYS ALA ARG GLY SER THR TYR 0.421769 0.757143
83 LYS ARG ARG LYS SEP VAL 0.421053 0.735294
84 VAL LYS VAL VAL ALA LYS LYS TYR ARG ASN 0.420635 0.724638
85 SER LEU SER ARG THR PRO ALA ASP GLY ARG 0.41958 0.75
86 ALA MET ALA PRO ARG THR LEU LEU LEU 0.419118 0.805556
87 GLU THR VAL ARG PHE GLN SER ASP 0.419118 0.742424
88 ALA SER ASN GLU ASN ALA GLU THR MET 0.416667 0.69697
89 SER GLU ILE GLU PHE ALA ARG LEU 0.414815 0.731343
90 SER ASP TYR GLN ARG LEU 0.414634 0.705882
91 ARG ASP ARG ALA ALA LYS LEU 0.414414 0.741935
92 GLY ARG PHE ALA ALA ALA ILE ALA LYS 0.412214 0.686567
93 LYS PRO VAL LEU ARG THR ALA 0.411765 0.760563
94 THR ALA ARG M3L SER THR 0.411215 0.904762
95 ARG VAL ALA GLN LEU GLU GLN VAL TYR ILE 0.410072 0.681159
96 ALA ASN SER ARG VAL GLN ASP SER ILE ILE 0.407692 0.757576
97 ALA LYS ALA SER GLN ALA ALA 0.405405 0.650794
98 HIS GLY ALA ALA ARG ALA GLU VAL HIS LEU 0.404959 0.725806
99 ARG GLU ARG SER PRO THR ARG 0.403361 0.694444
100 LYS ARG LYS 0.401961 0.677419
101 ASN ARG LEU MET LEU THR GLY 0.401639 0.84375
102 ARG GLY PHE ALA LEU M3L SER THR HIS GLY 0.401274 0.813333
103 MET ARG THR GLY ASN ALA XSN 0.4 0.80303
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
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