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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;
Atoms found LESS than expected: % Diff = 0;
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 291 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 247 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 209 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: 94
No: Ligand ECFP6 Tc MDL keys Tc
1 ALA ARG THR M3L GLN THR ALA 2MR LYS 1 1
2 ALA ARG THR M3L GLN THR ALA 1 1
3 ALA ARG THR M3L GLN THR ALA ARG LYS 0.852273 1
4 ALA ARG THR M3L GLN THR ALA ARG LYS SER 0.852273 1
5 ALA ARG THR ALY GLN THR ALA 0.820225 0.852459
6 ALA ARG THR MLY GLN THR ALA ARG LYS TYR 0.802198 0.967213
7 ALA ARG THR MLY GLN THR ALA 0.802198 0.967213
8 ALA ARG THR M3L GLN THR ALA ARG 0.731959 0.983871
9 ALA ARG THR M3L GLN THR ALA ALA LYS ALA 0.685714 0.983871
10 ALA ARG THR MLZ GLN THR ALA ARG LYS TYR 0.683673 0.885246
11 ALA ARG THR MLY GLN THR ALA ARG LYS 0.683673 0.95082
12 ALA ARG THR 4WQ GLN THR ALA ARG LYS SER 0.673913 0.854839
13 ARG ARG ARG GLU THR GLN VAL 0.642105 0.806452
14 ALA ARG THR ALA ALA THR ALA ARG LYS SER 0.641304 0.770492
15 ALA ARG THR LYS GLN THR ALA ARG LYS 0.640777 0.819672
16 ALA DA2 THR M3L GLN THR ALA ARG ALA 0.619469 1
17 ALA ARG THR LYS GLN THR ALA ARG 0.618557 0.803279
18 ALA ARG THR MLZ GLN THR ALA ARG LYS 0.616822 0.901639
19 ALA ARG M3L SER 0.615385 0.919355
20 ALA ARG THR M3L GLN THR ALA DA2 LYS 0.606557 1
21 ALA ARG THR MLY GLN 0.606061 0.935484
22 ALA ARG THR MLY GLN THR ALA ARG MLY SER 0.6 0.95082
23 ALA ARG THR MLY GLN THR ALA ARG LYS SER 0.59375 0.758065
24 GLN THR ALA ARG M3L SER 0.577982 0.983871
25 ALA ALA LEU THR ARG ALA 0.575758 0.786885
26 THR ARG ARG GLU THR GLN LEU 0.563107 0.822581
27 ALA ARG 9AT 0.559524 0.754098
28 GLN THR ALA ARG M3L SER THR GLY 0.556522 0.983871
29 PRO ALA THR ILE MET MET GLN ARG GLY ASN 0.546296 0.8125
30 ARG LEU GLN ARG ARG ARG GLU THR GLN VAL 0.541284 0.822581
31 LYS GLN THR ALA ARG M3L SER THR GLY 0.527273 0.983871
32 ALA ARG THR MLY GLN THR ALA ARG TYR 0.520661 0.867647
33 ILE LYS ARG SER MLZ LYS ASN SER LEU ALA 0.52 0.83871
34 LYS ALA ALA ARG M3L SER ALA 0.518182 0.951613
35 ALA GLN THR ALA ARG ALY SER THR 0.513043 0.83871
36 GLN LEU ALA THR M3L ALA ALA ARG LYS SER 0.508929 0.983607
37 ALA ARG M3L SER THR GLY GLY ALY 0.508333 0.953125
38 GLU ALA GLN THR ARG LEU 0.5 0.790323
39 PRO ALA ALA LYS ARG VAL LYS LEU ASP 0.494949 0.704918
40 ACE GLN THR ALA ARG PRK SER THR 0.491379 0.78125
41 ALA 2MR THR MLY GLN THR ALA ALA 0.490741 0.967213
42 THR ALA ARG M3L SER THR 0.479592 0.919355
43 ACE GLU ALA GLN THR ARG LEU 0.477876 0.806452
44 ACE GLN THR ALA ARG KCR SER THR 0.475 0.793651
45 ALA ARG THR GLU LEU TYR ARG SER LEU 0.468254 0.73913
46 ACE GLN THR ALA ARG BTK SER THR 0.461538 0.809524
47 GLY ARG PHE GLN VAL THR 0.461538 0.707692
48 PHE ALA GLY LEU ARG GLN ALA VAL THR GLN 0.461538 0.777778
49 LEU GLY GLY ALA LYS GLN ARG GLY ASP VAL 0.46087 0.730159
50 ALA ARG THR LYS GLN THR ALA ARG LYS SER 0.459184 0.688525
51 ALA THR ARG ASN PHE SER GLY 0.458333 0.716418
52 SAC ARG GLY THR GLN THR GLU 0.456897 0.765625
53 ALA LYS ALA SER GLN ALA ALA 0.456311 0.66129
54 GLU THR VAL ARG PHE GLN SER ASP 0.449612 0.727273
55 ACE ALA ARG THR LYS GLN 0.448598 0.786885
56 THR M3L GLN 0.447917 0.868852
57 ALA ILE ARG SER 0.445545 0.698413
58 THR ILE MET MET GLN ARG GLY 0.443478 0.8
59 THR ALA ARG M3L SER THR GLY GLY LYS ALA 0.441441 0.870968
60 ILE LYS ARG SER LYS LYS ASN SER LEU ALA 0.441176 0.741935
61 ALA MET ARG VAL 0.44 0.725806
62 ACE ARG LYS VAL ARG MET 5XU 0.44 0.725806
63 HIS LYS ILE LEU HIS ARG LEU LEU GLN ASP 0.437037 0.625
64 GLN ARG ALA THR LYS MET NH2 0.433333 0.854839
65 LYS GLN THR SER VAL 0.43299 0.650794
66 ASN ARG LEU LEU LEU THR GLY 0.432692 0.790323
67 SER SER ARG LYS GLU TYR TYR ALA 0.432203 0.657143
68 ILE GLN GLN SER ILE GLU ARG ILE 0.431034 0.75
69 ALA THR VAL ARG THR TYR SER CYS 0.430894 0.685714
70 ALA GLN ASP ILE TYR ARG ALA SER TYR 0.427536 0.680556
71 ALA ARG LYS SEP THR GLY GLY LYS 0.425197 0.764706
72 ARG GLU ARG SER PRO THR ARG 0.424779 0.680556
73 ALA THR ALY ALA ALA ARG ALY SER ALA PRO 0.423077 0.760563
74 ALA ARG ALA ALA ALA ALA ALA ALA ALA 0.416667 0.66129
75 ALA ARG LYS ILE ASP ASN LEU ASP 0.416 0.753846
76 ARG ARG ALA THR LYS MET NH2 0.415254 0.854839
77 HIS GLY ALA ALA ARG ALA GLU VAL HIS LEU 0.413793 0.709677
78 ARG ILE ALA ALA ALA 0.410526 0.645161
79 ASP PHE M3L THR ASP 0.410256 0.80303
80 GLU ARG THR ILE PRO ILE THR ARG GLU 0.409449 0.746479
81 PRO PRO LYS LYS LYS ARG LYS VAL 0.407767 0.704918
82 ALA ARG M3L SER CYS GLY GLY LYS 08P 0.405797 0.869565
83 LYS ARG ARG LYS SEP VAL 0.405405 0.720588
84 ALA PRO ALA LEU ARG VAL VAL LYS 0.405405 0.725806
85 ARG ARG ARG VAL ARG 00S 0.405405 0.651515
86 2NC 0.404959 0.809524
87 ALA ASN SER ARG TRP GLN THR SER ILE ILE 0.40411 0.644737
88 ALA ASN SER ARG TRP GLN ASP THR ARG LEU 0.40411 0.68
89 ALA ARG LYS LEU ASP 0.401869 0.758065
90 ASP ALA GLU PHE ARG HIS ASP 0.401639 0.661538
91 SER ASP TYR GLN ARG LEU 0.4 0.691176
92 ALA ARG MLZ SER THR GLY GLY ALY 0.4 0.859375
93 ALA ARG MLY SER THR GLY GLY ALY 0.4 0.921875
94 ACE ALA ARG THR GLU VAL TYR NH2 0.4 0.705882
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: 34
This union binding pocket(no: 1) in the query (biounit: 5wxh.bio2) has 20 residues
No: Leader PDB Ligand Sequence Similarity
1 4DS0 A2G GAL NAG FUC None
2 3IVV ASP GLU VAL THR SER THR THR SER SER SER None
3 2W5P CL8 None
4 1WWZ ACO None
5 5HZ9 5M8 None
6 5CUO COA None
7 3K0T BGC None
8 3VSV XYS 3.1746
9 5A04 BGC 3.1746
10 3RS8 ALA TRP LEU PHE GLU ALA 3.1746
11 2BVE PH5 4.7619
12 3SJK LYS PRO VAL LEU ARG THR ALA 4.7619
13 4RW3 DKA 6.34921
14 3P7G MAN 7.93651
15 5G6U YJM 7.93651
16 3G5S GSH 7.93651
17 1U1J C2F 9.52381
18 1JOC ITP 9.52381
19 4PPF FLC 9.52381
20 1GPM AMP 9.52381
21 2ZUX RAM 11.1111
22 5VKM GAL SIA 11.1111
23 5VLQ ANP 12.6984
24 4U03 TLL 12.6984
25 5CIC 51R 12.6984
26 1BC5 ACE ASN TRP GLU THR PHE 12.6984
27 5WHT SIA GAL 15.873
28 1R1Q ACE ARG GLU PTR VAL ASN VAL 19.0476
29 3GD8 GOL 19.0476
30 2ZWS PLM 20.6349
31 6MJ7 ARG 21.8182
32 2VPE ALA ARG THR MLY GLN THR ALA 33.3333
33 6FHQ DE5 34.4828
34 2VNF ALA ARG THR M3L GLN THR ALA ARG LYS SER 45
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