Receptor
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.
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ALA ARG THR M3L GLN THR ALA P:1;
D:1;
Valid;
Valid;
Atoms found LESS than expected: % Diff = 0.018;
Atoms found LESS than expected: % Diff = 0.018;
submit data
803.984 n/a O=C(N...
ZN A:1002;
C:1002;
C:1001;
A:1001;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
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
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 257 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 222 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 185 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
Ligand no: 1; Ligand: ALA ARG THR M3L GLN THR ALA; Similar ligands found: 80
No: Ligand ECFP6 Tc MDL keys Tc
1 ALA ARG THR M3L GLN THR ALA 1 1
2 ALA ARG THR M3L GLN THR ALA 2MR LYS 1 1
3 ALA ARG THR M3L GLN THR ALA ARG LYS SER 1 1
4 ALA ARG THR M3L GLN THR ALA ARG LYS 0.853933 1
5 ALA ARG THR ALY GLN THR ALA 0.811111 0.852459
6 ALA ARG THR MLY GLN THR ALA 0.802198 0.967213
7 ALA ARG THR MLY GLN THR ALA ARG LYS TYR 0.802198 0.967213
8 ALA ARG THR LYS GLN THR ALA ARG LYS SER 0.747368 0.819672
9 ALA ARG THR M3L GLN THR ALA ARG 0.742268 0.983871
10 ALA ARG THR M3L GLN THR ALA ALA LYS ALA 0.708738 0.983871
11 ALA ARG THR MLZ GLN THR ALA ARG LYS TYR 0.683673 0.885246
12 ALA ARG THR 4WQ GLN THR ALA ARG LYS SER 0.666667 0.854839
13 ALA ARG THR LYS GLN THR ALA ARG 0.653465 0.819672
14 ALA ARG THR LYS GLN THR ALA ARG LYS 0.653465 0.819672
15 ALA ARG THR M3L GLN THR ALA DA2 LYS 0.625 1
16 ALA DA2 THR M3L GLN THR ALA ARG ALA 0.622807 1
17 ALA ARG THR MLY GLN THR ALA ARG LYS 0.622642 0.967213
18 ALA ARG THR MLY GLN 0.612245 0.935484
19 ALA ARG M3L SER 0.608696 0.919355
20 ALA ARG THR MLY GLN THR ALA ARG MLY SER 0.6 0.95082
21 ALA ARG THR MLY GLN THR ALA ARG LYS SER 0.59375 0.758065
22 ALA ALA LEU THR ARG ALA 0.57 0.786885
23 ALA ARG THR MLZ GLN THR ALA ARG LYS 0.567568 0.887097
24 GLN THR ALA ARG M3L SER THR GLY 0.556522 0.983871
25 THR ARG ARG GLU THR GLN LEU 0.533333 0.822581
26 ARG LEU GLN ARG ARG ARG GLU THR GLN VAL 0.53211 0.822581
27 PRO ALA THR ILE MET MET GLN ARG GLY ASN 0.522523 0.8125
28 GLN LEU ALA THR M3L ALA ALA ARG LYS SER 0.520661 1
29 LYS ALA ALA ARG ALY SER ALA PRO ALA 0.520408 0.790323
30 LYS GLN THR ALA ARG M3L SER THR GLY 0.517857 0.983871
31 THR ALA ARG M3L SER THR GLY GLY LYS ALA 0.512195 0.983871
32 ILE LYS ARG SER MLZ LYS ASN SER LEU ALA 0.51 0.83871
33 LYS ALA ALA ARG M3L SER ALA 0.509091 0.951613
34 ALA GLN THR ALA ARG ALY SER THR 0.508621 0.83871
35 ALA ARG M3L SER THR GLY GLY ALY 0.508333 0.953125
36 ALA ARG THR MLY GLN THR ALA ARG TYR 0.508197 0.867647
37 ALA 2MR THR MLY GLN THR ALA ALA 0.504274 0.951613
38 ARG ARG ARG GLU THR GLN VAL 0.5 0.774194
39 GLU ALA GLN THR ARG LEU 0.495495 0.790323
40 PRO ALA ALA LYS ARG VAL LYS LEU ASP 0.479592 0.704918
41 ALA ARG THR GLU LEU TYR ARG SER LEU 0.472 0.73913
42 PHE ALA GLY LEU ARG GLN ALA VAL THR GLN 0.469565 0.777778
43 ACE GLN THR ALA ARG KCR SER THR 0.467742 0.809524
44 ACE ALA ARG THR LYS GLN 0.466667 0.786885
45 ALA LYS ALA SER GLN ALA ALA 0.460784 0.66129
46 LEU GLY GLY ALA LYS GLN ARG GLY ASP VAL 0.460177 0.730159
47 THR ALA ARG M3L SER THR 0.46 0.919355
48 LYS GLN THR SER VAL 0.458333 0.650794
49 ALA THR ARG ASN PHE SER GLY 0.454545 0.716418
50 GLU THR VAL ARG PHE GLN SER ASP 0.450382 0.742424
51 ILE LYS ARG SER LYS LYS ASN SER LEU ALA 0.44 0.741935
52 GLN ARG ALA THR LYS MET NH2 0.439655 0.854839
53 THR M3L GLN 0.438776 0.868852
54 SAC ARG GLY THR GLN THR GLU 0.436975 0.765625
55 SER SER ARG LYS GLU TYR TYR ALA 0.434783 0.657143
56 ALA ILE ARG SER 0.431373 0.698413
57 ASP PHE M3L THR ASP 0.431034 0.787879
58 ALA THR VAL ARG THR TYR SER CYS 0.430894 0.685714
59 ALA MET ARG VAL 0.425743 0.725806
60 ALA ARG LYS SEP THR GLY GLY LYS 0.424 0.764706
61 ACE ARG LYS VAL ARG MET 5XU 0.421569 0.725806
62 GLN ARG SER THR SEP THR 0.418803 0.735294
63 GLU ARG THR ILE PRO ILE THR ARG GLU 0.418605 0.75
64 ALA PRO ALA LEU ARG VAL VAL LYS 0.416667 0.725806
65 ARG GLU ARG SER PRO THR ARG 0.415929 0.680556
66 THR ILE MET MET GLN ARG GLY 0.415254 0.8
67 ILE GLN GLN SER ILE GLU ARG ILE 0.415254 0.75
68 ALA ARG LYS ILE ASP ASN LEU ASP 0.414634 0.753846
69 ALA ARG M3L SER CYS GLY GLY LYS 08P 0.411765 0.869565
70 ALA ARG TPO LYS 0.411215 0.731343
71 GLY ARG PHE GLN VAL THR 0.408696 0.646154
72 LYS ARG ARG LYS SEP VAL 0.407407 0.720588
73 SER ASP TYR GLN ARG LEU 0.40678 0.691176
74 ALA ARG ALA ALA ALA ALA ALA ALA ALA 0.40625 0.66129
75 HIS GLY ALA ALA ARG ALA GLU VAL HIS LEU 0.405172 0.709677
76 LYS ILE LEU HIS ARG LEU LEU GLN ASP 0.403101 0.625
77 ALA ARG MLY SER THR GLY GLY ALY 0.403101 0.921875
78 ARG ARG ALA THR LYS MET NH2 0.401709 0.854839
79 ALA ASN SER ARG TRP ALY THR SER ILE ILE 0.4 0.68
80 ALA TYR ARG 0.4 0.626866
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: 12
This union binding pocket(no: 1) in the query (biounit: 5wxh.bio2) has 20 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4DS0 A2G GAL NAG FUC 0.001354 0.47226 None
2 3IVV ASP GLU VAL THR SER THR THR SER SER SER 0.007935 0.42408 None
3 5CUO COA 0.003689 0.41777 None
4 1WWZ ACO 0.007712 0.41461 None
5 3SJK LYS PRO VAL LEU ARG THR ALA 0.02532 0.40339 4.7619
6 3G5D 1N1 0.01297 0.42367 6.34921
7 4RW3 DKA 0.02562 0.4002 6.34921
8 3P7G MAN 0.01581 0.40456 7.93651
9 4PPF FLC 0.01717 0.41542 9.52381
10 4L6H MTX 0.009669 0.41143 17.4603
11 2VPE ALA ARG THR MLY GLN THR ALA 0.00003308 0.49679 33.3333
12 2VNF ALA ARG THR M3L GLN THR ALA ARG LYS SER 0.0000004107 0.58611 45
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