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 1256 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 1068 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 922 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: 94
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 0.828283 1
3 ALA ARG THR M3L GLN THR ALA ARG LYS SER 0.742268 0.983871
4 ALA ARG THR M3L GLN THR ALA 0.742268 0.983871
5 ALA ARG THR M3L GLN THR ALA 2MR LYS 0.742268 0.983871
6 ALA ARG THR MLZ GLN THR ALA ARG LYS 0.737864 0.903226
7 ALA ARG THR M3L GLN THR ALA ARG LYS 0.734694 0.983871
8 ALA DA2 THR M3L GLN THR ALA ARG ALA 0.711712 0.983871
9 ALA ARG THR LYS GLN THR ALA ARG LYS SER 0.693069 0.806452
10 ALA ARG THR LYS GLN THR ALA ARG LYS 0.686275 0.806452
11 ALA ARG THR LYS GLN THR ALA ARG 0.686275 0.806452
12 ALA ARG THR M3L GLN THR ALA DA2 LYS 0.666667 0.983871
13 ALA ARG THR MLY GLN THR ALA ARG LYS 0.654206 0.951613
14 ALA ARG THR MLY GLN 0.646465 0.951613
15 ALA ARG THR MLY GLN THR ALA ARG TYR 0.615385 0.882353
16 GLN THR ALA ARG M3L SER THR GLY 0.6 0.968254
17 ALA ARG THR ALY GLN THR ALA 0.6 0.83871
18 GLU ALA GLN THR ARG LEU 0.598131 0.806452
19 ALA ARG THR MLY GLN THR ALA ARG LYS TYR 0.59434 0.951613
20 ALA ARG THR MLY GLN THR ALA 0.59434 0.951613
21 ALA ARG THR MLZ GLN THR ALA ARG LYS TYR 0.588785 0.870968
22 ALA 2MR THR MLY GLN THR ALA ALA 0.587719 0.967742
23 PHE ALA GLY LEU ARG GLN ALA VAL THR GLN 0.567568 0.793651
24 THR ARG ARG GLU THR GLN LEU 0.551402 0.83871
25 ARG LEU GLN ARG ARG ARG GLU THR GLN VAL 0.54955 0.83871
26 GLN LEU ALA THR M3L ALA ALA ARG LYS SER 0.536585 0.983871
27 LYS GLN THR ALA ARG M3L SER THR GLY 0.535088 0.968254
28 ALA ARG M3L SER 0.53 0.904762
29 ALA ARG THR MLY GLN THR ALA ARG MLY SER 0.527778 0.935484
30 ALA GLN THR ALA ARG ALY SER THR 0.525424 0.825397
31 ALA ARG M3L SER THR GLY GLY ALY 0.52459 0.96875
32 ALA GLN PHE SER ALA SER ALA SER ARG 0.522124 0.727273
33 ALA ARG THR MLY GLN THR ALA ARG LYS SER 0.519231 0.746032
34 ALA ALA LEU THR ARG ALA 0.514019 0.774194
35 ALA ARG THR 4WQ GLN THR ALA ARG LYS SER 0.509434 0.84127
36 ARG ARG ARG GLU THR GLN VAL 0.504762 0.790323
37 ACE GLN THR ALA ARG KCR SER THR 0.496 0.796875
38 ALA ARG THR GLU LEU TYR ARG SER LEU 0.488189 0.753623
39 GLN ARG ALA THR LYS MET NH2 0.482759 0.84127
40 ALA PRO ALA LEU ARG VAL VAL LYS 0.476636 0.741935
41 ALA ARG ALA ALA ALA ALA ALA ALA ALA 0.473684 0.677419
42 ALA ARG TPO LYS 0.471698 0.746269
43 MET ABA LEU ARG MET THR ALA VAL MET 0.471545 0.828125
44 THR ALA ARG M3L SER THR GLY GLY LYS ALA 0.469231 0.968254
45 SAC ARG GLY THR GLN THR GLU 0.466667 0.78125
46 LEU GLY GLY ALA LYS GLN ARG GLY ASP VAL 0.465517 0.746032
47 LYS GLN THR SER VAL 0.464646 0.666667
48 PRO ALA THR ILE MET MET GLN ARG GLY ASN 0.462185 0.8
49 LYS ALA ALA ARG M3L SER ALA 0.461538 0.936508
50 MET CYS LEU ARG MET THR ALA VAL MET 0.460317 0.857143
51 GLU ARG THR ILE PRO ILE THR ARG GLU 0.457364 0.763889
52 VAL ALA ARG SER 0.45 0.714286
53 SER ARG TYR TRP ALA ILE ARG THR ARG 0.448276 0.641026
54 MET CYS LEU ARG NLE THR ALA VAL MET 0.446154 0.84375
55 ARG ARG ALA THR LYS MET NH2 0.444444 0.84127
56 ALA ARG 0.443182 0.629032
57 SER SER ARG LYS GLU TYR TYR ALA 0.440678 0.671429
58 ALA THR VAL ARG THR TYR SER CYS 0.436508 0.7
59 ARG GLU ASP GLN GLU THR ALA VAL 0.433628 0.66129
60 ACE CSO ARG ALA THR LYS MET LEU 0.430769 0.826087
61 GLY ARG PHE ALA ALA ALA ILE ALA LYS 0.428571 0.686567
62 ALA SER ASN GLU ASN ALA GLU THR MET 0.428571 0.69697
63 GLN ARG SER THR SEP THR 0.425 0.75
64 ALA ASN SER ARG TRP GLN ASP THR ARG LEU 0.42446 0.712329
65 LYS ARG LYS ARG LYS ARG LYS ARG LYS ARG 0.424242 0.693548
66 ACE ALA ARG THR GLU VAL TYR NH2 0.424 0.720588
67 LYS ALA PRO ARG ALY GLN LEU ALA THR LYS 0.423611 0.802817
68 THR PRO THR ARG ASP VAL ALA THR SER PRO 0.423077 0.75
69 VAL LYS VAL VAL ALA LYS LYS TYR ARG ASN 0.422764 0.724638
70 ILE GLN GLN SER ILE GLU ARG ILE 0.421488 0.765625
71 SER GLU ILE GLU PHE ALA ARG LEU 0.421053 0.731343
72 ALA ARG MLY SER THR GLY GLY ALY 0.419847 0.9375
73 LYS ALA ARG VAL LEU ALA GLU ALA MET 0.417323 0.761905
74 LYS ALA ARG VAL LEU ALA GLU ALA MET SER 0.417323 0.761905
75 MET ALA ARG 0.415842 0.730159
76 LYS SER LEU LEU GLN GLN LEU LEU THR GLU 0.415254 0.746032
77 LYS ARG ARG LYS SEP VAL 0.414414 0.735294
78 SER ASP TYR GLN ARG LEU 0.413223 0.705882
79 GLU THR VAL ARG PHE GLN SER ASP 0.413043 0.757576
80 ALA LYS ALA SER GLN ALA ALA 0.412844 0.650794
81 ALA ARG MLZ SER THR GLY GLY ALY 0.412214 0.875
82 ALA MET ALA PRO ARG THR LEU LEU LEU 0.411765 0.805556
83 LEU GLU LYS ALA ARG GLY SER THR TYR 0.410959 0.757143
84 THR ILE MET MET GLN ARG GLY 0.409836 0.815385
85 LYS ILE LEU HIS ARG LEU LEU GLN ASP 0.409091 0.638889
86 ACE ALA ARG THR LYS GLN 0.40708 0.774194
87 ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG 0.40625 0.677419
88 ALA ASN SER ARG TRP GLN THR SER ILE ILE 0.405594 0.666667
89 ALA THR ARG ASN PHE SER GLY 0.403101 0.705882
90 LYS PRO VAL LEU ARG THR ALA 0.402985 0.760563
91 SER LEU SER ARG THR PRO ALA ASP GLY ARG 0.402778 0.75
92 SER SER ILE GLU PHE ALA ARG LEU 0.40146 0.746269
93 ALA ARG LYS LYS GLN THR 66N 6L5 0.4 0.616279
94 ASN ARG LEU LEU LEU THR GLY 0.4 0.822581
Similar Binding Sites (Proteins are less than 50% similar to leader)
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