Receptor
PDB id Resolution Class Description Source Keywords
3SOU 1.8 Å EC: 6.3.2.- STRUCTURE OF UHRF1 PHD FINGER IN COMPLEX WITH HISTONE H3 1-9 HOMO SAPIENS ZN COORDINATED PHD FINGER HISTONE BINDING HISTONE H3 LIGA
Ref.: PHD FINGER RECOGNITION OF UNMODIFIED HISTONE H3R2 L UHRF1 TO REGULATION OF EUCHROMATIC GENE EXPRESSION. MOL.CELL V. 43 275 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ALA ARG THR LYS GLN THR ALA ARG LYS D:1;
E:1;
 Valid;
Valid;
 none;
none;
 Kd = 2.5 uM
919.1 n/a O=C(N...
ZN A:1;
A:2;
A:3;
A:7;
B:4;
B:5;
B:6;
B:8;
 Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
 none;
none;
none;
none;
none;
none;
none;
none;
 submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3SOU 1.8 Å EC: 6.3.2.- STRUCTURE OF UHRF1 PHD FINGER IN COMPLEX WITH HISTONE H3 1-9 HOMO SAPIENS ZN COORDINATED PHD FINGER HISTONE BINDING HISTONE H3 LIGA
Ref.: PHD FINGER RECOGNITION OF UNMODIFIED HISTONE H3R2 L UHRF1 TO REGULATION OF EUCHROMATIC GENE EXPRESSION. MOL.CELL V. 43 275 2011
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 41 families.
1 3SOW Kd = 7.3 uM ALA ARG THR M3L GLN THR ALA ARG LYS n/a n/a
2 3ZVY Kd = 7.9 uM ALA ARG THR LYS GLN THR ALA ARG n/a n/a
3 3SOU Kd = 2.5 uM ALA ARG THR LYS GLN THR ALA ARG LYS n/a n/a
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 27 families.
1 3SOW Kd = 7.3 uM ALA ARG THR M3L GLN THR ALA ARG LYS n/a n/a
2 3ZVY Kd = 7.9 uM ALA ARG THR LYS GLN THR ALA ARG n/a n/a
3 3SOU Kd = 2.5 uM ALA ARG THR LYS GLN THR ALA ARG LYS n/a n/a
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 21 families.
1 3SOW Kd = 7.3 uM ALA ARG THR M3L GLN THR ALA ARG LYS n/a n/a
2 3ZVY Kd = 7.9 uM ALA ARG THR LYS GLN THR ALA ARG n/a n/a
3 3SOU Kd = 2.5 uM ALA ARG THR LYS GLN THR ALA ARG LYS n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: ALA ARG THR LYS GLN THR ALA ARG LYS; Similar ligands found: 120
No: Ligand ECFP6 Tc MDL keys Tc
1 ALA ARG THR LYS GLN THR ALA ARG LYS 1 1
2 ALA ARG THR MLZ GLN THR ALA ARG LYS 0.836735 0.909091
3 ALA ARG THR LYS GLN THR ALA ARG 0.744681 0.98
4 ALA ARG THR M3L GLN THR ALA ALA LYS ALA 0.719626 0.806452
5 ALA ARG THR M3L GLN THR ALA DA2 LYS 0.705882 0.819672
6 ALA ARG THR M3L GLN THR ALA ARG 0.666667 0.806452
7 ALA ARG THR ALY GLN THR ALA 0.656863 0.961538
8 ALA ARG THR M3L GLN THR ALA 2MR LYS 0.640777 0.819672
9 ALA ARG THR M3L GLN THR ALA ARG LYS SER 0.634615 0.819672
10 ALA ARG THR MLY GLN THR ALA ARG LYS TYR 0.628571 0.847458
11 ALA ARG THR MLY GLN THR ALA ARG LYS 0.622642 0.830508
12 ALA ARG THR MLZ GLN THR ALA ARG LYS TYR 0.622642 0.890909
13 ALA ARG THR MLY GLN THR ALA ARG MLY SER 0.621359 0.830508
14 ACE ALA ARG THR LYS GLN 0.62 0.96
15 ALA ARG THR MLY GLN THR ALA ARG LYS SER 0.616162 0.921569
16 ACE GLN THR ALA ARG BTK SER THR 0.603604 0.907407
17 ARG ARG ARG GLU THR GLN VAL 0.598039 0.942308
18 ALA ARG THR ALA ALA THR ALA ARG LYS SER 0.59596 0.94
19 ACE GLN THR ALA ARG PRK SER THR 0.59292 0.907407
20 ALA ARG THR M3L GLN THR ALA ARG LYS 0.584906 0.803279
21 ALA DA2 THR M3L GLN THR ALA ARG ALA 0.581967 0.806452
22 ACE GLN THR ALA ARG KCR SER THR 0.57265 0.924528
23 GLN THR ALA ARG M3L SER 0.570175 0.806452
24 ALA ARG THR MLY GLN 0.566038 0.816667
25 ALA GLN THR ALA ARG ALY SER THR 0.560345 0.943396
26 ALA THR PRK ALA ALA ARG LYS SER 0.54717 0.811321
27 GLN ARG ALA THR LYS MET NH2 0.543103 0.890909
28 ALA 2MR THR MLY GLN THR ALA ALA 0.542373 0.833333
29 ALA ALA LEU THR ARG ALA 0.537736 0.884615
30 GLU ALA GLN THR ARG LEU 0.535088 0.886792
31 ARG ARG ALA THR LYS MET NH2 0.526316 0.890909
32 ARG LEU GLN ARG ARG ARG GLU THR GLN VAL 0.521739 0.924528
33 ALA ARG 9AT 0.516484 0.92
34 ALA ARG LYS SEP THR GLY GLY LYS 0.516129 0.847458
35 ALA ARG THR MLY GLN THR ALA ARG TYR 0.515873 0.757576
36 THR ARG ARG GLU THR GLN LEU 0.513514 0.924528
37 ACE GLU ALA GLN THR ARG LEU 0.513043 0.87037
38 ALA LYS ALA SER GLN ALA ALA 0.509615 0.803922
39 GLN THR ALA ARG M3L SER THR GLY 0.5 0.806452
40 ALA ARG LYS ILE ASP ASN LEU ASP 0.495935 0.839286
41 ALA ARG M3L SER 0.495146 0.741935
42 PHE ALA GLY LEU ARG GLN ALA VAL THR GLN 0.491525 0.87037
43 LYS ARG LYS ARG LYS ARG LYS ARG LYS ARG 0.490196 0.82
44 GLU ARG THR ILE PRO ILE THR ARG GLU 0.488 0.765625
45 ALA ARG THR LYS GLN THR ALA ARG LYS SER 0.485149 0.84
46 LYS ALA ARG VAL LEU ALA GLU ALA MET SER 0.483871 0.736842
47 ILE LYS ARG SER LYS LYS ASN SER LEU ALA 0.480769 0.901961
48 ALA ARG LYS LYS GLN THR 66N 6L5 0.474684 0.649351
49 ARG ALA ARG 0.473684 0.78
50 ALA GLN ASP ILE TYR ARG ALA SER TYR 0.467626 0.774194
51 ALA ARG LYS LEU ASP 0.46729 0.849057
52 ASN LEU LEU GLN LYS LYS 0.462963 0.735849
53 ACE CSO ARG ALA THR LYS MET LEU 0.460938 0.78125
54 ALA ARG ALA ALA ALA ALA ALA ALA ALA 0.459184 0.803922
55 LYS SER LEU LEU GLN GLN LEU LEU THR GLU 0.458333 0.814815
56 ALA ILE ARG SER 0.457143 0.811321
57 LYS ARG ARG LYS SEP VAL 0.455357 0.766667
58 ACE THR ARG GLU 0.452632 0.92
59 GLY ASP GLU VAL LYS VAL PHE ARG 0.451128 0.803571
60 ALA ARG TPO LYS 0.45045 0.810345
61 PRO ALA THR ILE MET MET GLN ARG GLY ASN 0.45 0.842105
62 LYS ALA ALA ARG M3L SER ALA 0.45 0.774194
63 ARG PRO GLY ASN PHE LEU GLN ASN ARG PRO 0.449612 0.754386
64 CYS ALA ARG ALA TYR 0.44898 0.764706
65 GLU THR VAL ARG PHE GLN SER ASP 0.447761 0.839286
66 HIS LYS ILE LEU HIS ARG LEU LEU GLN ASP 0.447552 0.703125
67 LYS ILE LEU HIS ARG LEU LEU GLN ASP 0.446809 0.714286
68 LYS GLN THR ALA ARG M3L SER THR GLY 0.446281 0.806452
69 ALA THR ALY ALA ALA ARG ALY SER ALA PRO 0.443609 0.753846
70 ARG LYS LYS ARG TYR THR VAL VAL GLY ASN 0.442029 0.847458
71 HIS LYS ILE LEU HIS ARG LEU LEU GLN GLU 0.441379 0.6875
72 LYS ALA PRO ARG ALY GLN LEU ALA THR LYS 0.441379 0.731343
73 LYS PRO VAL LEU ARG THR ALA 0.440298 0.738462
74 PHQ GLN THR ALA ARG LYS NH2 FOA 0.439716 0.793651
75 ALA LYS ALA ILE ALA 0.438095 0.673077
76 GLY ALA ARG 0.4375 0.764706
77 ALA TYR ARG 0.435185 0.75
78 SER ARG LYS ILE ASP ASN LEU ASP 0.435115 0.859649
79 LEU GLY GLY ALA LYS GLN ARG GLY ASP VAL 0.434426 0.849057
80 ALA ARG THR GLU LEU TYR ARG SER LEU 0.432836 0.816667
81 PRO ALA ALA LYS ARG VAL LYS LEU ASP 0.431193 0.823529
82 SAC ARG GLY THR GLN THR GLU 0.430894 0.888889
83 ARG PRO LYS ARG ILE ALA 0.430769 0.676923
84 ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG 0.43 0.8
85 ARG ARG ARG ARG ARG ARG ARG ARG 0.43 0.8
86 LEU GLU LYS ALA ARG GLY SER THR TYR 0.428571 0.819672
87 LYS ARG ARG ARG LYS SEP CYS GLN ALA NH2 0.427419 0.813559
88 ALA LYS ARG HIS ARG LYS VAL LEU ARG ASP 0.425373 0.688525
89 LYS ILE LEU HIS ARG LEU LEU GLN ASP SER 0.422819 0.734375
90 ALA LYS ALA ALA 0.42268 0.7
91 GLY ALA ALA ARG ALA GLU VAL TYR LEU ARG 0.422535 0.766667
92 MET ABA LEU ARG MET THR ALA VAL MET 0.419847 0.810345
93 ALA GLN PHE SER ALA SER ALA SER ARG 0.419355 0.854545
94 THR ILE MET MET GLN ARG GLY 0.418033 0.827586
95 TYR PRO LYS ARG ILE ALA 0.414286 0.642857
96 THR ALA ARG MYK SER THR GLY 0.413534 0.892857
97 ALA MET ARG VAL 0.411215 0.714286
98 GLU ALY ARG 0.410714 0.811321
99 MET CYS LEU ARG MET THR ALA VAL MET 0.410448 0.842105
100 ALA ILE LEU HIS ARG LEU LEU GLN 0.410448 0.677419
101 LYS LEU VAL GLN LEU LEU THR THR THR 0.410256 0.811321
102 VAL LYS VAL VAL ALA LYS LYS TYR ARG ASN 0.409449 0.813559
103 ARG ARG ARG GLU ARG SER PRO THR ARG 0.408759 0.765625
104 ALA THR LYS ILE ASP ASN LEU ASP 0.408 0.767857
105 SER SER ARG LYS GLU TYR TYR ALA 0.408 0.779661
106 ILE GLN GLN SER ILE GLU ARG ILE 0.406504 0.87037
107 SER PRO LYS ARG ILE ALA 0.40625 0.707692
108 5JP PRO LYS ARG ILE ALA 0.40458 0.686567
109 GLU GLU GLU ASP GLY TPO MET LYS ARG ASN 0.404412 0.75
110 ALA ASN SER ARG TRP GLN THR SER ILE ILE 0.403974 0.727273
111 ALA ASN SER ARG TRP GLN ASP THR ARG LEU 0.403974 0.742424
112 LYS GLN THR SER VAL 0.403846 0.754717
113 LYS GLY GLY ALA ALY ARG HIS ARG LYS ILE 0.402778 0.709677
114 HIS GLY ALA ALA ARG ALA GLU VAL HIS LEU 0.401639 0.792453
115 MET CYS LEU ARG NLE THR ALA VAL MET 0.40146 0.827586
116 GLN ARG SER THR SEP THR 0.4 0.813559
117 ALA THR ARG ASN PHE SER GLY 0.4 0.857143
118 ARG GLU ARG SER PRO THR ARG 0.4 0.71875
119 ACE ALA ARG THR GLU VAL TYR NH2 0.4 0.810345
120 LYS GLY GLY ALA ALY ARG HIS ARG LYS VAL 0.4 0.721311
Similar Ligands (3D)
Ligand no: 1; Ligand: ALA ARG THR LYS GLN THR ALA ARG LYS; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
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