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 34 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 23 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 18 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: 118
No: Ligand ECFP6 Tc MDL keys Tc
1 ALA ARG THR LYS GLN THR ALA ARG 1 1
2 ALA ARG THR LYS GLN THR ALA ARG LYS 1 1
3 ALA ARG THR MLY GLN THR ALA ARG LYS 0.861702 0.847458
4 ALA ARG THR LYS GLN THR ALA ARG LYS SER 0.836957 1
5 ALA ARG THR M3L GLN THR ALA ALA LYS ALA 0.721154 0.806452
6 ALA ARG THR MLZ GLN THR ALA ARG LYS 0.718447 0.892857
7 ALA ARG THR M3L GLN THR ALA DA2 LYS 0.692308 0.819672
8 ALA ARG THR M3L GLN THR ALA ARG 0.686275 0.806452
9 ALA ARG THR ALY GLN THR ALA 0.66 0.961538
10 ALA ARG THR M3L GLN THR ALA 0.653465 0.819672
11 ALA ARG THR MLY GLN THR ALA 0.653465 0.847458
12 ALA ARG THR MLY GLN THR ALA ARG LYS TYR 0.653465 0.847458
13 ALA ARG THR M3L GLN THR ALA ARG LYS SER 0.653465 0.819672
14 ALA ARG THR M3L GLN THR ALA 2MR LYS 0.653465 0.819672
15 ALA ARG THR M3L GLN THR ALA ARG LYS 0.647059 0.819672
16 ALA ARG THR MLZ GLN THR ALA ARG LYS TYR 0.647059 0.890909
17 ALA ARG THR MLY GLN THR ALA ARG MLY SER 0.63 0.830508
18 ALA ARG THR MLY GLN THR ALA ARG LYS SER 0.625 0.921569
19 ALA ARG THR MLY GLN 0.594059 0.816667
20 ALA 2MR THR MLY GLN THR ALA ALA 0.584071 0.833333
21 ALA DA2 THR M3L GLN THR ALA ARG ALA 0.579832 0.819672
22 ALA ARG THR MLY GLN THR ALA ARG TYR 0.571429 0.757576
23 ALA ARG THR 4WQ GLN THR ALA ARG LYS SER 0.564356 0.857143
24 ALA GLN THR ALA ARG ALY SER THR 0.561404 0.943396
25 GLN LEU ALA THR M3L ALA ALA ARG LYS SER 0.558333 0.819672
26 ACE ALA ARG THR LYS GLN 0.554455 0.96
27 ALA ALA LEU THR ARG ALA 0.553398 0.884615
28 GLU ALA GLN THR ARG LEU 0.550459 0.886792
29 ILE LYS ARG SER LYS LYS ASN SER LEU ALA 0.547368 0.901961
30 GLN ARG ALA THR LYS MET NH2 0.545455 0.890909
31 ALA THR PRK ALA ALA ARG LYS SER 0.543689 0.792453
32 LYS ARG LYS ARG LYS ARG LYS ARG 0.531915 0.82
33 ARG LEU GLN ARG ARG ARG GLU THR GLN VAL 0.531532 0.924528
34 ACE GLN THR ALA ARG KCR SER THR 0.528926 0.943396
35 PHE ALA GLY LEU ARG GLN ALA VAL THR GLN 0.522124 0.87037
36 THR ARG ARG GLU THR GLN LEU 0.518519 0.924528
37 GLN THR ALA ARG M3L SER THR GLY 0.516667 0.806452
38 PRO ALA THR ILE MET MET GLN ARG GLY ASN 0.508772 0.842105
39 ALA LYS ALA SER GLN ALA ALA 0.504951 0.803922
40 ARG ARG ALA THR LYS MET NH2 0.504505 0.890909
41 LEU GLY GLY ALA LYS GLN ARG GLY ASP VAL 0.5 0.849057
42 ALA ARG LYS SEP THR GLY GLY LYS 0.495868 0.847458
43 ALA ARG M3L SER 0.49505 0.741935
44 ARG PRO GLY ASN PHE LEU GLN ASN ARG PRO 0.487805 0.754386
45 ALA ARG LYS ILE ASP ASN LEU ASP 0.487395 0.839286
46 ARG ARG ARG GLU THR GLN VAL 0.485714 0.903846
47 LYS ALA ARG VAL LEU ALA GLU ALA MET 0.483333 0.736842
48 LYS ALA ARG VAL LEU ALA GLU ALA MET SER 0.483333 0.736842
49 SER SER ARG LYS GLU TYR TYR ALA 0.473684 0.779661
50 ALA PRO ALA LEU ARG VAL VAL LYS 0.471698 0.811321
51 ALA ARG ALA ALA ALA ALA ALA ALA ALA 0.468085 0.803922
52 ALA ARG LYS LYS GLN THR 66N 6L5 0.467949 0.649351
53 SAC ARG GLY THR GLN THR GLU 0.462185 0.888889
54 GLU THR VAL ARG PHE GLN SER ASP 0.462121 0.857143
55 ALA ILE ARG SER 0.460784 0.811321
56 GLY ASP GLU VAL LYS VAL PHE ARG 0.456693 0.803571
57 GLY ALA ARG 0.456522 0.764706
58 LYS GLN THR ALA ARG M3L SER THR GLY 0.453782 0.806452
59 ALA LYS ARG HIS ARG LYS VAL LEU ARG ASP 0.453125 0.741935
60 ARG ARG ARG ARG ARG ARG ARG ARG 0.452632 0.8
61 ALA ARG THR GLU LEU TYR ARG SER LEU 0.449612 0.816667
62 ACE CSO ARG ALA THR LYS MET LEU 0.448819 0.78125
63 LYS ARG ARG LYS SEP VAL 0.448598 0.766667
64 ARG ALA ARG 0.446809 0.78
65 LYS GLN THR SER VAL 0.444444 0.754717
66 HIS LYS ILE LEU HIS ARG LEU LEU GLN ASP 0.442857 0.703125
67 ALA TYR ARG 0.442308 0.75
68 ALA ASN SER ARG TRP ALY THR SER ILE ILE 0.440559 0.769231
69 LYS ALA PRO ARG ALY GLN LEU ALA THR LYS 0.439716 0.731343
70 ALA ARG TPO LYS 0.439252 0.810345
71 GLY ALA ALA ARG ALA GLU VAL TYR LEU ARG 0.437956 0.766667
72 PRO ALA ALA LYS ARG VAL LYS LEU ASP 0.436893 0.823529
73 LYS ALA ALA ARG ALY SER ALA PRO ALA 0.433962 0.886792
74 ASN LEU LEU GLN LYS LYS 0.433962 0.698113
75 SER ARG LYS ILE ASP ASN LEU ASP 0.433071 0.859649
76 ALA THR ARG ASN PHE SER GLY 0.432 0.857143
77 MET ABA LEU ARG MET THR ALA VAL MET 0.432 0.810345
78 ALA LYS ALA ILE ALA 0.431373 0.634615
79 HIS LYS ILE LEU HIS ARG LEU LEU GLN GLU 0.429577 0.6875
80 ALA GLN PHE SER ALA SER ALA SER ARG 0.428571 0.854545
81 ARG ARG ARG GLU ARG SER PRO THR ARG 0.427481 0.765625
82 ILE LYS ARG SER MLZ LYS ASN SER LEU ALA 0.425926 0.839286
83 THR ALA ARG MYK SER THR GLY 0.423077 0.892857
84 MET CYS LEU ARG MET THR ALA VAL MET 0.421875 0.842105
85 ALA THR LYS ILE ASP ASN LEU ASP 0.421488 0.75
86 ALA ASN SER ARG TRP GLN ASP THR ARG LEU 0.42029 0.765625
87 LYS ALA ALA ARG M3L SER ALA 0.420168 0.774194
88 LYS PRO VAL LEU ARG THR ALA 0.419847 0.738462
89 GLU ARG THR ILE PRO ILE THR ARG GLU 0.419847 0.769231
90 HIS GLY ALA ALA ARG ALA GLU VAL HIS LEU 0.418803 0.792453
91 THR PRO THR ARG ASP VAL ALA THR SER PRO 0.418605 0.753846
92 VAL LYS VAL VAL ALA LYS LYS TYR ARG ASN 0.418033 0.813559
93 LEU GLU LYS ALA ARG GLY SER THR TYR 0.416667 0.819672
94 ARG GLU ASP GLN GLU THR ALA VAL 0.415929 0.75
95 LYS LEU VAL GLN LEU LEU THR THR THR 0.415929 0.792453
96 ALA LYS ALA ALA 0.414894 0.66
97 ALA MET ARG VAL 0.413462 0.714286
98 ALA ASN SER ARG TRP GLN THR SER ILE ILE 0.411348 0.738462
99 LYS SER LEU LEU GLN GLN LEU LEU THR GLU 0.410256 0.814815
100 MET CYS LEU ARG NLE THR ALA VAL MET 0.409091 0.827586
101 GLN ARG SER THR SEP THR 0.408333 0.813559
102 ACE ALA ARG THR GLU VAL TYR NH2 0.408 0.810345
103 VAL ALA PHE ARG SER 0.40678 0.781818
104 ALA ALA THR M3L GLN THR ALA ARG 0.405941 0.655738
105 GLU ALY ARG 0.40566 0.811321
106 SER ARG TYR TRP ALA ILE ARG THR ARG 0.405405 0.705882
107 ARG GLU ARG SER PRO THR ARG 0.405172 0.71875
108 ILE GLN GLN SER ILE GLU ARG ILE 0.404959 0.87037
109 VAL THR THR ASP ILE GLN VAL LYS VAL 0.404959 0.777778
110 THR ILE MET MET GLN ARG GLY 0.404959 0.827586
111 LYS ILE LEU HIS ARG LEU LEU GLN ASP 0.40458 0.68254
112 LYS ARG LYS ARG LYS ARG LYS ARG LYS ARG 0.40404 0.823529
113 VAL ALA ARG SER 0.401961 0.811321
114 ALA ILE GLU THR ASA 0.401869 0.698113
115 LYS ILE LEU HIS ARG LEU LEU GLN ASP SER 0.401361 0.734375
116 THR PHE GLN ALA PSA LEU ARG GLU 0.4 0.830508
117 THR LYS ASN TYR LYS GLN THR SER VAL 0.4 0.733333
118 THR ALA ARG M3L SER THR GLY GLY LYS ALA 0.4 0.806452
Similar Binding Sites (Proteins are less than 50% similar to leader)
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