Receptor
PDB id Resolution Class Description Source Keywords
5WXG 1.7 Å NON-ENZYME: TRANSCRIPT_TRANSLATE STRUCTURE OF TAF PHD FINGER DOMAIN BINDS TO H3(1-15)K4AC HOMO SAPIENS TAF3 HISTONE H3 HYDROLASE
Ref.: KINETIC AND HIGH-THROUGHPUT PROFILING OF EPIGENETIC INTERACTIONS BY 3D-CARBENE CHIP-BASED SURFACE PLASM RESONANCE IMAGING TECHNOLOGY PROC. NATL. ACAD. SCI. V. 114 E7245 2017 U.S.A.
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ZN A:1002;
A:1001;
 Part of Protein;
Part of Protein;
 none;
none;
 submit data
65.409 Zn [Zn+2...
MG A:1003;
 Part of Protein;
 none;
 submit data
24.305 Mg [Mg+2...
ALA ARG THR ALY GLN THR ALA P:1;
 Valid;
 Atoms found LESS than expected: % Diff = 0.018;
 submit data
802.932 n/a O=C(N...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5WXH 1.3 Å NON-ENZYME: TRANSCRIPT_TRANSLATE CRYSTAL STRUCTURE OF TAF3 PHD FINGER BOUND TO H3K4ME3 HOMO SAPIENS TAF3 HISTONE H3 HYDROLASE
Ref.: KINETIC AND HIGH-THROUGHPUT PROFILING OF EPIGENETIC INTERACTIONS BY 3D-CARBENE CHIP-BASED SURFACE PLASM RESONANCE IMAGING TECHNOLOGY PROC. NATL. ACAD. SCI. V. 114 E7245 2017 U.S.A.
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 308 families.
1 5WXG - ALA ARG THR ALY GLN THR ALA n/a n/a
2 5WXH - ALA ARG THR M3L GLN THR ALA n/a n/a
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 266 families.
1 5WXG - ALA ARG THR ALY GLN THR ALA n/a n/a
2 5WXH - ALA ARG THR M3L GLN THR ALA n/a n/a
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 220 families.
1 5WXG - ALA ARG THR ALY GLN THR ALA n/a n/a
2 5WXH - ALA ARG THR M3L GLN THR ALA n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: ALA ARG THR ALY GLN THR ALA; Similar ligands found: 90
No: Ligand ECFP6 Tc MDL keys Tc
1 ALA ARG THR ALY GLN THR ALA 1 1
2 ALA ARG THR M3L GLN THR ALA 2MR LYS 0.820225 0.852459
3 ALA ARG THR MLY GLN THR ALA ARG LYS TYR 0.802198 0.881356
4 ALA ARG THR M3L GLN THR ALA ARG LYS SER 0.697917 0.852459
5 ALA ARG THR MLY GLN THR ALA ARG LYS 0.683673 0.864407
6 ALA ARG THR MLZ GLN THR ALA ARG LYS TYR 0.683673 0.927273
7 ALA ARG THR LYS GLN THR ALA ARG LYS 0.656863 0.961538
8 ARG ARG ARG GLU THR GLN VAL 0.642105 0.907407
9 ALA ARG THR ALA ALA THR ALA ARG LYS SER 0.641304 0.903846
10 ALA ARG THR LYS GLN THR ALA ARG 0.635417 0.942308
11 ALA GLN THR ALA ARG ALY SER THR 0.626168 0.981132
12 ALA ARG THR MLZ GLN THR ALA ARG LYS 0.616822 0.945455
13 ALA ARG THR MLY GLN THR ALA ARG LYS SER 0.610526 0.886792
14 ALA ARG THR MLY GLN 0.606061 0.85
15 ALA ARG THR MLY GLN THR ALA ARG MLY SER 0.6 0.864407
16 ALA ARG THR M3L GLN THR ALA ARG 0.6 0.83871
17 ALA ARG THR M3L GLN THR ALA ALA LYS ALA 0.580357 0.83871
18 ALA ALA LEU THR ARG ALA 0.575758 0.851852
19 ALA ARG THR M3L GLN THR ALA ARG LYS 0.563107 0.836066
20 ALA ARG 9AT 0.559524 0.884615
21 ACE GLN THR ALA ARG PRK SER THR 0.558559 0.909091
22 THR ARG ARG GLU THR GLN LEU 0.548077 0.890909
23 ARG LEU GLN ARG ARG ARG GLU THR GLN VAL 0.541284 0.890909
24 ACE GLN THR ALA ARG KCR SER THR 0.53913 0.925926
25 ALA DA2 THR M3L GLN THR ALA ARG ALA 0.52459 0.83871
26 ALA ARG THR M3L GLN THR ALA DA2 LYS 0.51938 0.852459
27 ALA THR ALY ALA ALA ARG ALY SER ALA PRO 0.516393 0.784615
28 ACE GLN THR ALA ARG BTK SER THR 0.513274 0.909091
29 ALA ARG M3L SER THR GLY GLY ALY 0.508333 0.8125
30 ACE GLU ALA GLN THR ARG LEU 0.504505 0.872727
31 GLU ALA GLN THR ARG LEU 0.5 0.854545
32 ALA ARG MLZ SER THR GLY GLY ALY 0.491803 0.896552
33 ALA ARG MLY SER THR GLY GLY ALY 0.491803 0.83871
34 ACE ALA ARG THR LYS GLN 0.490385 0.923077
35 ALA ARG M3L SER 0.484848 0.774194
36 ALA 2MR THR MLY GLN THR ALA ALA 0.483051 0.866667
37 SAC ARG GLY THR GLN THR GLU 0.482456 0.890909
38 PRO ALA THR ILE MET MET GLN ARG GLY ASN 0.477876 0.844828
39 PRO ALA ALA LYS ARG VAL LYS LEU ASP 0.475248 0.792453
40 LYS ALA PRO ARG ALY GLN LEU ALA THR LYS 0.474453 0.761194
41 ALA ARG THR LYS GLN THR ALA ARG LYS SER 0.474227 0.807692
42 ALA LYS ALA SER GLN ALA ALA 0.470588 0.773585
43 GLN THR ALA ARG M3L SER 0.470085 0.83871
44 ALA ASN SER ARG TRP ALY THR SER ILE ILE 0.468531 0.776119
45 THR ARG SER GLY ALY VAL MET ARG ARG LEU 0.461538 0.793103
46 ALA ARG THR MLY GLN THR ALA ARG TYR 0.460317 0.787879
47 PHE ALA GLY LEU ARG GLN ALA VAL THR GLN 0.456897 0.839286
48 ALA ARG THR GLU LEU TYR ARG SER LEU 0.456693 0.790323
49 GLN THR ALA ARG M3L SER THR GLY 0.455285 0.83871
50 ALA THR ARG ASN PHE SER GLY 0.446281 0.827586
51 ALA ILE ARG SER 0.445545 0.781818
52 GLN ARG ALA THR LYS MET NH2 0.445378 0.892857
53 THR ILE MET MET GLN ARG GLY 0.443478 0.830508
54 ACE ARG LYS VAL ARG MET 5XU 0.44 0.719298
55 ALA MET ARG VAL 0.44 0.719298
56 GLU THR VAL ARG PHE GLN SER ASP 0.438462 0.810345
57 GLU ALY ARG 0.438095 0.849057
58 ALA ARG LYS SEP THR GLY GLY LYS 0.436508 0.819672
59 LYS GLN THR SER VAL 0.43299 0.727273
60 ILE GLN GLN SER ILE GLU ARG ILE 0.431034 0.839286
61 ALA ARG LYS LYS GLN THR 66N 6L5 0.43038 0.632911
62 2NC 0.428571 0.909091
63 ALA ARG LYS ILE ASP ASN LEU ASP 0.427419 0.810345
64 ARG ARG ALA THR LYS MET NH2 0.42735 0.892857
65 LYS ALA ALA ARG M3L SER ALA 0.42735 0.806452
66 ARG ILE ALA ALA ALA 0.425532 0.722222
67 THR ALA ARG MYK SER THR GLY 0.425197 0.928571
68 ARG GLU ARG SER PRO THR ARG 0.424779 0.69697
69 ILE LYS ARG SER MLZ LYS ASN SER LEU ALA 0.424528 0.875
70 GLN ARG SER THR SEP THR 0.423729 0.786885
71 ALA ASN SER ARG ALY PRO THR SER ILE ILE 0.423611 0.753623
72 ACE ALA ARG THR GLU VAL TYR NH2 0.422764 0.783333
73 LYS ARG ARG LYS SEP VAL 0.418182 0.741935
74 ALA GLN ASP ILE TYR ARG ALA SER TYR 0.417266 0.75
75 ALA ARG ALA ALA ALA ALA ALA ALA ALA 0.416667 0.773585
76 ALA ARG LYS LEU ASP 0.415094 0.818182
77 ALA THR PRK ALA ALA ARG LYS SER 0.414414 0.814815
78 HIS GLY ALA ALA ARG ALA GLU VAL HIS LEU 0.413793 0.796296
79 ALA ARG TPO LYS 0.412844 0.783333
80 LYS GLN THR ALA ARG M3L SER THR GLY 0.411765 0.83871
81 ALA LYS ALA ILE ALA 0.411765 0.648148
82 GLU ARG THR ILE PRO ILE THR ARG GLU 0.409449 0.742424
83 ASN ARG LEU LEU LEU THR GLY 0.409091 0.857143
84 LYS ILE LEU HIS ARG LEU LEU GLN ASP 0.407143 0.692308
85 ALA ASN SER ARG TRP GLN THR SER ILE ILE 0.40411 0.705882
86 ALA ASN SER ARG TRP GLN ASP THR ARG LEU 0.40411 0.720588
87 ARG LYS LYS ARG TYR THR VAL VAL GLY ASN 0.40146 0.819672
88 PHQ GLN THR ALA ARG LYS NH2 FOA 0.4 0.769231
89 LYS GLY GLY ALA ALY ARG HIS ARG LYS VAL 0.4 0.754098
90 LEU GLY GLY ALA LYS GLN ARG GLY ASP VAL 0.4 0.818182
Similar Ligands (3D)
Ligand no: 1; Ligand: ALA ARG THR ALY GLN THR ALA; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5WXH; Ligand: ALA ARG THR M3L GLN THR ALA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 5wxh.bio2) has 20 residues
No: Leader PDB Ligand Sequence Similarity
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