Receptor
PDB id Resolution Class Description Source Keywords
3ZVY 1.95 Å EC: 6.3.2.- PHD FINGER OF HUMAN UHRF1 IN COMPLEX WITH UNMODIFIED HISTONE TERMINAL TAIL HOMO SAPIENS LIGASE-PEPTIDE COMPLEX HISTONE READER EPIGENETICS
Ref.: THE PHD FINGER OF HUMAN UHRF1 REVEALS A NEW SUBGROU UNMETHYLATED HISTONE H3 TAIL READERS. PLOS ONE V. 6 27599 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 C:1;
D:1;
Valid;
Valid;
none;
none;
Kd = 7.9 uM
589.719 n/a O=C(N...
CL B:1370;
B:1371;
Invalid;
Invalid;
none;
none;
submit data
35.453 Cl [Cl-]
TRS A:1369;
B:1372;
Invalid;
Invalid;
none;
none;
submit data
122.143 C4 H12 N O3 C(C(C...
ZN A:1365;
A:1366;
A:1367;
A:1368;
B:1366;
B:1367;
B:1368;
B:1369;
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; Similar ligands found: 100
No: Ligand ECFP6 Tc MDL keys Tc
1 ALA ARG THR LYS GLN THR ALA ARG 1 1
2 ALA ARG THR MLY GLN THR ALA ARG MLY SER 0.823529 0.844828
3 ALA ARG THR MLY GLN THR ALA ARG LYS SER 0.804878 0.94
4 ALA ARG THR LYS GLN THR ALA ARG LYS 0.744681 0.98
5 ALA ARG THR ALY GLN THR ALA 0.635417 0.942308
6 ALA ARG THR MLY GLN THR ALA ARG LYS TYR 0.622449 0.830508
7 ALA ARG THR M3L GLN THR ALA 2MR LYS 0.618557 0.803279
8 ALA ARG THR MLY GLN THR ALA ARG LYS 0.616162 0.844828
9 ALA ARG THR MLZ GLN THR ALA ARG LYS 0.615385 0.890909
10 ACE ALA ARG THR LYS GLN 0.612903 0.979592
11 ALA ARG THR M3L GLN THR ALA ARG LYS SER 0.612245 0.803279
12 ALA ARG THR MLY GLN 0.604167 0.830508
13 ALA ARG THR MLZ GLN THR ALA ARG LYS TYR 0.6 0.907407
14 ALA ARG THR M3L GLN THR ALA ALA LYS ALA 0.592593 0.790323
15 ALA ARG THR M3L GLN THR ALA DA2 LYS 0.591667 0.803279
16 ALA ARG 9AT 0.575 0.938776
17 ARG ARG ARG GLU THR GLN VAL 0.572917 0.923077
18 ALA ARG THR M3L GLN THR ALA ARG LYS 0.56 0.786885
19 ALA ARG THR ALA ALA THR ALA ARG LYS SER 0.553191 0.92
20 ALA ARG THR M3L GLN THR ALA ARG 0.537736 0.790323
21 ALA ILE ARG SER 0.532609 0.826923
22 ALA ARG LYS SEP THR GLY GLY LYS 0.530435 0.830508
23 ALA ARG M3L SER 0.526882 0.725806
24 ALA ALA LEU THR ARG ALA 0.525253 0.901961
25 ACE GLN THR ALA ARG BTK SER THR 0.522936 0.924528
26 ALA ARG LYS ILE ASP ASN LEU ASP 0.522124 0.821429
27 LYS ARG LYS ARG LYS ARG LYS ARG LYS ARG 0.521739 0.8
28 ALA ARG TPO LYS 0.520408 0.793103
29 GLN ARG ALA THR LYS MET NH2 0.518182 0.907407
30 ILE LYS ARG SER LYS LYS ASN SER LEU ALA 0.510638 0.92
31 GLN THR ALA ARG M3L SER 0.504505 0.790323
32 ARG ARG ALA THR LYS MET NH2 0.5 0.872727
33 THR ARG ARG GLU THR GLN LEU 0.5 0.90566
34 ACE GLN THR ALA ARG PRK SER THR 0.5 0.924528
35 ALA THR PRK ALA ALA ARG LYS SER 0.490196 0.826923
36 GLU ARG THR ILE PRO ILE THR ARG GLU 0.487179 0.75
37 PRO ALA ALA LYS ARG VAL LYS LEU ASP 0.484536 0.84
38 ACE GLN THR ALA ARG KCR SER THR 0.482759 0.942308
39 ARG LEU GLN ARG ARG ARG GLU THR GLN VAL 0.481818 0.90566
40 LYS ARG ARG LYS SEP VAL 0.480392 0.75
41 ALA ARG LYS LEU ASP 0.479592 0.865385
42 VAL ARG MET 0.478261 0.709091
43 ALA ILE LEU HIS ARG LEU LEU GLN 0.475 0.688525
44 ALA DA2 THR M3L GLN THR ALA ARG ALA 0.471545 0.790323
45 GLU ALA GLN THR ARG LEU 0.468468 0.903846
46 ALA ARG THR LYS GLN THR ALA ARG LYS SER 0.468085 0.82
47 ALA GLN THR ALA ARG ALY SER THR 0.456897 0.924528
48 SER ARG LYS ILE ASP ASN LEU ASP 0.454545 0.842105
49 ALA THR LYS ILE ASP ASN LEU ASP 0.451327 0.75
50 ARG LYS LYS ARG TYR THR VAL VAL GLY ASN 0.449612 0.830508
51 HIS LYS ILE LEU HIS ARG LEU LEU GLN GLU 0.448529 0.698413
52 ACE GLU ALA GLN THR ARG LEU 0.446429 0.886792
53 LYS ALA ARG VAL LEU ALA GLU ALA MET SER 0.445378 0.75
54 ALA TYR ARG 0.444444 0.763636
55 LYS SER LEU LEU GLN GLN LEU LEU THR GLU 0.442478 0.796296
56 ALA 2MR THR MLY GLN THR ALA ALA 0.440678 0.816667
57 ALA ARG ALA ALA ALA ALA ALA ALA ALA 0.43956 0.82
58 PRO VAL LYS ARG ARG LEU ASP LEU GLU 0.436508 0.762712
59 LYS PRO VAL LEU ARG THR ALA 0.436508 0.75
60 LYS ARG LYS 0.434783 0.82
61 ACE CSO ARG ALA THR LYS MET LEU 0.434426 0.765625
62 GLU THR VAL ARG PHE GLN SER ASP 0.433071 0.854545
63 ALA MET ARG VAL 0.43299 0.727273
64 ACE THR ARG GLU 0.431818 0.938776
65 GLU ALY ARG 0.431373 0.826923
66 GLN ARG SER THR SEP THR 0.429825 0.79661
67 ALA ARG THR GLU LEU TYR ARG SER LEU 0.428571 0.8
68 GLN THR ALA ARG M3L SER THR GLY 0.42623 0.790323
69 GLY ASP GLU VAL LYS VAL PHE ARG 0.425197 0.818182
70 ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG 0.423913 0.78
71 ARG ARG ARG ARG ARG ARG ARG ARG 0.423913 0.78
72 HIS LYS ILE LEU HIS ARG LEU LEU GLN ASP 0.423358 0.714286
73 LYS ILE LEU HIS ARG LEU LEU GLN ASP 0.422222 0.725806
74 ASN ARG LEU ILE LEU THR GLY 0.420561 0.811321
75 LEU LYS THR LYS LEU LEU 0.42 0.807692
76 GLN ILE LYS VAL ARG VAL ASP MET VAL 0.419355 0.789474
77 THR ARG SER GLY ALY VAL MET ARG ARG LEU 0.418803 0.741379
78 ASN LEU LEU GLN LYS LYS 0.417476 0.75
79 ALA THR ALY ALA ALA ARG ALY SER ALA PRO 0.417323 0.738462
80 ALA THR ARG ASN PHE SER GLY 0.416667 0.839286
81 ASN ARG LEU LEU LEU THR GLY 0.415094 0.87037
82 ARG PRO LYS ARG ILE ALA 0.414634 0.661538
83 LYS THR LYS LEU LEU 0.414141 0.807692
84 SAC ARG GLY THR GLN THR GLU 0.413793 0.87037
85 GLU GLU GLU ASP GLY TPO MET LYS ARG ASN 0.409449 0.734375
86 ALA ARG THR MLY GLN THR ALA ARG TYR 0.409449 0.742424
87 ALA LYS ARG HIS ARG LYS VAL LEU ARG ASP 0.409449 0.7
88 PRO ALA THR ILE MET MET GLN ARG GLY ASN 0.408696 0.857143
89 ALA LYS ALA SER GLN ALA ALA 0.407767 0.82
90 ARG GLU ARG SER PRO THR ARG 0.405405 0.730159
91 LEU GLY GLY ALA LYS GLN ARG GLY ASP VAL 0.405172 0.865385
92 ALA ARG MLY SER THR GLY GLY ALY 0.404762 0.790323
93 ALA LYS ALA ILE ALA 0.40404 0.686275
94 PHE ALA GLY LEU ARG GLN ALA VAL THR GLN 0.401709 0.886792
95 PHQ LEU VAL ARG TYR 0.401639 0.671875
96 ALA LYS ALA ALA 0.4 0.714286
97 ALA MET ALA PRO ARG THR LEU LEU LEU 0.4 0.695652
98 LYS LYS ARG LEU SER VAL GLU 0.4 0.903846
99 ALA LYS ARG HIS ARG MLY VAL LEU ARG ASP 0.4 0.617647
100 ALA ARG M3L SER CYS GLY GLY LYS 08P 0.4 0.695652
Similar Ligands (3D)
Ligand no: 1; Ligand: ALA ARG THR LYS GLN THR ALA ARG; 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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