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 36 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 24 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 19 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
Ligand no: 1; Ligand: ALA ARG THR LYS GLN THR ALA ARG LYS; Similar ligands found: 125
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 0.640777 0.819672
10 ALA ARG THR M3L GLN THR ALA ARG LYS 0.634615 0.819672
11 ALA ARG THR M3L GLN THR ALA ARG LYS SER 0.634615 0.819672
12 ALA ARG THR MLY GLN THR ALA 0.628571 0.847458
13 ALA ARG THR MLY GLN THR ALA ARG LYS TYR 0.628571 0.847458
14 ALA ARG THR MLZ GLN THR ALA ARG LYS TYR 0.622642 0.890909
15 ALA ARG THR MLY GLN THR ALA ARG LYS 0.622642 0.830508
16 ALA ARG THR MLY GLN THR ALA ARG MLY SER 0.621359 0.830508
17 ACE ALA ARG THR LYS GLN 0.62 0.96
18 ALA ARG THR MLY GLN THR ALA ARG LYS SER 0.616162 0.921569
19 ACE GLN THR ALA ARG BTK SER THR 0.603604 0.907407
20 ARG ARG ARG GLU THR GLN VAL 0.598039 0.942308
21 ALA ARG THR ALA ALA THR ALA ARG LYS SER 0.59596 0.94
22 ACE GLN THR ALA ARG PRK SER THR 0.59292 0.907407
23 ACE GLN THR ALA ARG KCR SER THR 0.57265 0.924528
24 ILE LYS ARG SER LYS LYS ASN SER LEU ALA 0.571429 0.901961
25 ALA DA2 THR M3L GLN THR ALA ARG ALA 0.570248 0.819672
26 GLN THR ALA ARG M3L SER 0.570175 0.806452
27 ALA ARG THR MLY GLN 0.566038 0.816667
28 ALA GLN THR ALA ARG ALY SER THR 0.560345 0.943396
29 GLN LEU ALA THR M3L ALA ALA ARG LYS SER 0.557522 0.803279
30 ALA ARG THR MLY GLN THR ALA ARG TYR 0.552846 0.757576
31 ALA ARG THR 4WQ GLN THR ALA ARG LYS SER 0.548077 0.857143
32 ALA THR PRK ALA ALA ARG LYS SER 0.54717 0.811321
33 GLN ARG ALA THR LYS MET NH2 0.543103 0.890909
34 ALA ALA LEU THR ARG ALA 0.537736 0.884615
35 GLU ALA GLN THR ARG LEU 0.535088 0.886792
36 ARG ARG ALA THR LYS MET NH2 0.526316 0.890909
37 LYS ARG LYS ARG LYS ARG LYS ARG LYS ARG 0.525253 0.82
38 ARG LEU GLN ARG ARG ARG GLU THR GLN VAL 0.521739 0.924528
39 ALA ARG 9AT 0.516484 0.92
40 ALA ARG LYS SEP THR GLY GLY LYS 0.516129 0.847458
41 THR ARG ARG GLU THR GLN LEU 0.513514 0.924528
42 ACE GLU ALA GLN THR ARG LEU 0.513043 0.87037
43 ALA LYS ALA SER GLN ALA ALA 0.509615 0.803922
44 LEU GLY GLY ALA LYS GLN ARG GLY ASP VAL 0.508621 0.849057
45 PHE ALA GLY LEU ARG GLN ALA VAL THR GLN 0.508475 0.87037
46 GLN THR ALA ARG M3L SER THR GLY 0.5 0.806452
47 ALA ARG LYS ILE ASP ASN LEU ASP 0.495935 0.839286
48 ALA ARG M3L SER 0.495146 0.741935
49 ALA LYS ARG HIS ARG LYS VAL LEU ARG ASP 0.492188 0.688525
50 GLU ARG THR ILE PRO ILE THR ARG GLU 0.488 0.765625
51 PRO ALA THR ILE MET MET GLN ARG GLY ASN 0.487179 0.842105
52 ALA 2MR THR MLY GLN THR ALA ALA 0.486726 0.847458
53 ALA ARG THR LYS GLN THR ALA ARG LYS SER 0.485149 0.84
54 LYS ALA ARG VAL LEU ALA GLU ALA MET 0.483871 0.736842
55 LYS ALA ARG VAL LEU ALA GLU ALA MET SER 0.483871 0.736842
56 SER SER ARG LYS GLU TYR TYR ALA 0.478992 0.779661
57 ALA ARG LYS LYS GLN THR 66N 6L5 0.474684 0.649351
58 ARG ARG ARG ARG ARG ARG ARG ARG 0.474227 0.8
59 ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG 0.474227 0.8
60 ARG ALA ARG 0.473684 0.78
61 ALA PRO ALA LEU ARG VAL VAL LYS 0.468468 0.811321
62 ALA GLN ASP ILE TYR ARG ALA SER TYR 0.467626 0.774194
63 ALA ARG LYS LEU ASP 0.46729 0.849057
64 ASN LEU LEU GLN LYS LYS 0.462963 0.735849
65 PRO ALA ALA LYS ARG VAL LYS LEU ASP 0.462264 0.823529
66 PRO PRO LYS LYS LYS ARG LYS VAL 0.461538 0.823529
67 ACE CSO ARG ALA THR LYS MET LEU 0.460938 0.78125
68 ARG PRO GLY ASN PHE LEU GLN ASN ARG PRO 0.460938 0.754386
69 ALA ARG ALA ALA ALA ALA ALA ALA ALA 0.459184 0.803922
70 LYS SER LEU LEU GLN GLN LEU LEU THR GLU 0.458333 0.814815
71 ALA ILE ARG SER 0.457143 0.811321
72 LYS ARG ARG LYS SEP VAL 0.455357 0.766667
73 ACE THR ARG GLU 0.452632 0.92
74 GLY ASP GLU VAL LYS VAL PHE ARG 0.451128 0.803571
75 LYS ALA ALA ARG M3L SER ALA 0.45 0.774194
76 CYS ALA ARG ALA TYR 0.44898 0.764706
77 GLU THR VAL ARG PHE GLN SER ASP 0.447761 0.839286
78 LYS GLN THR ALA ARG M3L SER THR GLY 0.446281 0.806452
79 ALA THR ALY ALA ALA ARG ALY SER ALA PRO 0.443609 0.753846
80 HIS LYS ILE LEU HIS ARG LEU LEU GLN GLU 0.441379 0.6875
81 LYS PRO VAL LEU ARG THR ALA 0.440298 0.738462
82 ARG ARG ARG GLU ARG SER PRO THR ARG 0.440298 0.765625
83 PHQ GLN THR ALA ARG LYS NH2 FOA 0.439716 0.793651
84 ALA LYS ALA ILE ALA 0.438095 0.673077
85 GLY ALA ARG 0.4375 0.764706
86 SER ARG LYS ILE ASP ASN LEU ASP 0.435115 0.859649
87 ALA ARG THR GLU LEU TYR ARG SER LEU 0.432836 0.816667
88 SAC ARG GLY THR GLN THR GLU 0.430894 0.888889
89 ARG PRO LYS ARG ILE ALA 0.430769 0.676923
90 LEU GLU LYS ALA ARG GLY SER THR TYR 0.428571 0.819672
91 HIS LYS ILE LEU HIS ARG LEU LEU GLN ASP 0.425532 0.68254
92 GLY ARG PHE GLN VAL THR 0.424 0.818182
93 ARG ASP ARG ALA ALA LYS LEU 0.423423 0.811321
94 LYS ILE LEU HIS ARG LEU LEU GLN ASP SER 0.422819 0.734375
95 ALA LYS ALA ALA 0.42268 0.7
96 PRO LYS THR PRO LYS LYS ALA LYS LYS LEU 0.42268 0.692308
97 GLY ALA ALA ARG ALA GLU VAL TYR LEU ARG 0.422535 0.766667
98 MET ABA LEU ARG MET THR ALA VAL MET 0.419847 0.810345
99 ILE LYS ARG SER MLZ LYS ASN SER LEU ALA 0.419643 0.839286
100 ALA GLN PHE SER ALA SER ALA SER ARG 0.419355 0.854545
101 THR ILE MET MET GLN ARG GLY 0.418033 0.827586
102 GLU GLU GLU ASP GLY TPO MET LYS ARG ASN 0.41791 0.75
103 VAL LYS VAL VAL ALA LYS LYS TYR ARG ASN 0.417323 0.813559
104 ALA LYS ARG HIS ARG MLY VAL LEU ARG ASP 0.415493 0.632353
105 TYR PRO LYS ARG ILE ALA 0.414286 0.642857
106 THR ALA ARG MYK SER THR GLY 0.413534 0.892857
107 HIS GLY ALA ALA ARG ALA GLU VAL HIS LEU 0.413223 0.792453
108 ALA MET ARG VAL 0.411215 0.714286
109 GLU ALY ARG 0.410714 0.811321
110 MET CYS LEU ARG MET THR ALA VAL MET 0.410448 0.842105
111 ALA ILE LEU HIS ARG LEU LEU GLN 0.410448 0.677419
112 LYS LEU VAL GLN LEU LEU THR THR THR 0.410256 0.811321
113 ALA THR LYS ILE ASP ASN LEU ASP 0.408 0.767857
114 ALA ALA THR M3L GLN THR ALA ARG 0.407767 0.672131
115 LYS GLY GLY ALA ALY ARG HIS ARG LYS VAL 0.407692 0.721311
116 ILE GLN GLN SER ILE GLU ARG ILE 0.406504 0.87037
117 SER PRO LYS ARG ILE ALA 0.40625 0.707692
118 ALA ASN SER ARG TRP GLN ASP THR ARG LEU 0.403974 0.742424
119 ALA ASN SER ARG TRP GLN THR SER ILE ILE 0.403974 0.727273
120 LYS GLN THR SER VAL 0.403846 0.754717
121 LYS GLY GLY ALA ALY ARG HIS ARG LYS ILE 0.402778 0.709677
122 MET CYS LEU ARG NLE THR ALA VAL MET 0.40146 0.827586
123 ARG GLU ARG SER PRO THR ARG 0.4 0.71875
124 ALA THR ARG ASN PHE SER GLY 0.4 0.857143
125 ACE ALA ARG THR GLU VAL TYR NH2 0.4 0.810345
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
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