Receptor
PDB id Resolution Class Description Source Keywords
6FKP 2 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF BAZ2A PHD ZINC FINGER IN COMPLEX WITH H AA MUTANT PEPTIDE HOMO SAPIENS TRANSCRIPTION PHD ZINC FINGER BROMODOMAIN BAZ2A HISTONEEPIGENETIC H3
Ref.: TARGETING LIGANDABLE POCKETS ON PLANT HOMEODOMAIN ( FINGER DOMAINS BY A FRAGMENT-BASED APPROACH. ACS CHEM. BIOL. V. 13 915 2018
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ZN C:1801;
A:1802;
D:1802;
C:1802;
B:1801;
B:1802;
A:1801;
D:1801;
 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...
GOL C:1803;
 Invalid;
 none;
 submit data
92.094 C3 H8 O3 C(C(C...
ALA ARG THR ALA ALA THR ALA ARG LYS SER G:1;
E:1;
F:1;
 Valid;
Valid;
Valid;
 Atoms found LESS than expected: % Diff = 0.375;
Atoms found LESS than expected: % Diff = 0.333;
Atoms found LESS than expected: % Diff = 0.375;
 submit data
646.747 n/a O=C(N...
PO4 D:1803;
A:1803;
B:1803;
 Invalid;
Invalid;
Invalid;
 none;
none;
none;
 submit data
94.971 O4 P [O-]P...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5T8R 2.4 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF HUMAN BAZ2A PHD ZINC FINGER IN COMPLEX UNMODIFIED H3 10-MER HOMO SAPIENS PHD ZINC FINGERS HISTONE3 COMPLEX TRANSCRIPTION
Ref.: STRUCTURAL BASIS OF MOLECULAR RECOGNITION OF HELICA H3 TAIL BY PHD FINGER DOMAINS. BIOCHEM. J. V. 474 1633 2017
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 5T8R Kd = 51 uM ALA ARG THR LYS GLN THR ALA ARG LYS SER n/a n/a
2 6FHU Kd = 2.3 mM ALA ARG 9AT n/a n/a
3 6FI0 - DEW C9 H12 N2 O S c1csc2c1CN....
4 6FKP - ALA ARG THR ALA ALA THR ALA ARG LYS SER n/a n/a
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 6FHQ Kd = 3.4 mM DE5 C5 H7 N3 O S c1csc(n1)N....
2 5T8R Kd = 51 uM ALA ARG THR LYS GLN THR ALA ARG LYS SER n/a n/a
3 6FHU Kd = 2.3 mM ALA ARG 9AT n/a n/a
4 6FI0 - DEW C9 H12 N2 O S c1csc2c1CN....
5 6FKP - ALA ARG THR ALA ALA THR ALA ARG LYS SER n/a n/a
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 6FHQ Kd = 3.4 mM DE5 C5 H7 N3 O S c1csc(n1)N....
2 2PUY Kd ~ 30 uM ALA ARG THR LYS GLN THR ALA ARG LYS SER n/a n/a
3 5T8R Kd = 51 uM ALA ARG THR LYS GLN THR ALA ARG LYS SER n/a n/a
4 6FHU Kd = 2.3 mM ALA ARG 9AT n/a n/a
5 6FI0 - DEW C9 H12 N2 O S c1csc2c1CN....
6 6FKP - ALA ARG THR ALA ALA THR ALA ARG LYS SER n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: ALA ARG THR ALA ALA THR ALA ARG LYS SER; Similar ligands found: 81
No: Ligand ECFP6 Tc MDL keys Tc
1 ALA ARG THR ALA ALA THR ALA ARG LYS SER 1 1
2 ALA ALA LEU THR ARG ALA 0.686047 0.938776
3 ALA ARG THR M3L GLN THR ALA 2MR LYS 0.641304 0.770492
4 ALA ARG THR ALY GLN THR ALA 0.641304 0.903846
5 ALA ARG THR M3L GLN THR ALA ARG LYS 0.630435 0.783333
6 ALA ARG THR MLY GLN THR ALA ARG LYS TYR 0.62766 0.79661
7 ALA ARG 9AT 0.621622 0.978723
8 ALA ARG ALA ALA ALA ALA ALA ALA ALA 0.602564 0.854167
9 ALA ARG THR LYS GLN THR ALA ARG LYS 0.59596 0.94
10 ALA ARG THR MLY GLN THR ALA ARG LYS SER 0.577778 0.938776
11 ALA ARG THR MLZ GLN THR ALA ARG LYS 0.572816 0.854545
12 ALA ARG THR LYS GLN THR ALA ARG LYS SER 0.571429 0.854167
13 ALA ARG THR M3L GLN THR ALA ARG 0.554455 0.758065
14 ALA ARG THR LYS GLN THR ALA ARG 0.553191 0.92
15 ALA ARG THR M3L GLN THR ALA ALA LYS ALA 0.551402 0.758065
16 ALA ARG THR MLY GLN THR ALA ARG MLY SER 0.536082 0.779661
17 ALA ARG THR M3L GLN THR ALA ARG LYS SER 0.535354 0.770492
18 ACE ALA ARG THR LYS GLN 0.531915 0.938776
19 HIS GLY ALA ALA ARG ALA GLU VAL HIS LEU 0.53 0.803922
20 ALA ARG THR MLZ GLN THR ALA ARG LYS TYR 0.524752 0.836364
21 ALA ARG THR MLY GLN THR ALA ARG LYS 0.524752 0.779661
22 ARG ARG ARG GLU THR GLN VAL 0.510417 0.921569
23 ALA GLN THR ALA ARG ALY SER THR 0.509259 0.886792
24 PRO ALA ALA LYS ARG VAL LYS LEU ASP 0.5 0.8
25 ALA DA2 THR M3L GLN THR ALA ARG ALA 0.495726 0.758065
26 ACE GLN THR ALA ARG BTK SER THR 0.495327 0.851852
27 ALA ARG THR MLY GLN 0.494949 0.766667
28 ALA LYS ALA ILE ALA 0.494382 0.68
29 ARG ARG ALA ALA 0.494118 0.875
30 GLN THR ALA ARG M3L SER 0.490741 0.758065
31 ACE GLN THR ALA ARG PRK SER THR 0.486239 0.851852
32 ARG ARG ALA THR LYS MET NH2 0.485714 0.87037
33 LYS ALA ALA ARG M3L SER ALA 0.485714 0.754098
34 ALA ILE ARG SER 0.483516 0.86
35 ALA ARG THR M3L GLN THR ALA DA2 LYS 0.48 0.770492
36 ALA THR ALY ALA ALA ARG ALY SER ALA PRO 0.474576 0.734375
37 GLN THR ALA ARG M3L SER THR GLY 0.473684 0.758065
38 ACE GLN THR ALA ARG KCR SER THR 0.469027 0.867925
39 GLU ALA GLN THR ARG LEU 0.46729 0.901961
40 ARG ILE ALA ALA ALA 0.464286 0.795918
41 ALA LYS ALA ALA 0.463415 0.708333
42 ALA ARG M3L SER 0.462366 0.721311
43 ALA MET ARG VAL 0.461538 0.754717
44 MET ABA LEU ARG MET THR ALA VAL MET 0.46087 0.821429
45 GLU ARG THR ILE PRO ILE THR ARG GLU 0.46087 0.746032
46 VAL ALA ARG SER 0.460674 0.86
47 ALA 2MR THR MLY GLN THR ALA ALA 0.451327 0.783333
48 GLN ARG ALA THR LYS MET NH2 0.45045 0.836364
49 MET CYS LEU ARG MET THR ALA VAL MET 0.449153 0.854545
50 ACE ARG LYS VAL ARG MET 5XU 0.445652 0.754717
51 ALA THR PRK ALA ALA ARG LYS SER 0.445545 0.754717
52 ACE GLU ALA GLN THR ARG LEU 0.444444 0.884615
53 LYS ALA ARG VAL LEU ALA GLU ALA MET SER 0.443478 0.745455
54 LYS GLN THR ALA ARG M3L SER THR GLY 0.440367 0.758065
55 MET CYS LEU ARG NLE THR ALA VAL MET 0.438017 0.839286
56 ARG ASP ALA ALA 0.431818 0.836735
57 ALA ARG TPO LYS 0.43 0.789474
58 THR ALA ARG MYK SER THR GLY 0.428571 0.839286
59 THR ARG ARG GLU THR GLN LEU 0.428571 0.903846
60 ARG LEU GLN ARG ARG ARG GLU THR GLN VAL 0.427273 0.903846
61 ALA THR ARG ASN PHE SER GLY 0.426087 0.87037
62 ASN ARG LEU LEU LEU THR GLY 0.425743 0.903846
63 PHE ALA GLY LEU ARG GLN ALA VAL THR GLN 0.423423 0.884615
64 ALA ARG MLZ SER ALA PRO ALA THR 0.419355 0.691176
65 ALA MET ALA PRO ARG THR LEU LEU LEU 0.419355 0.666667
66 ARG ALA ARG 0.418605 0.829787
67 ALA ARG THR MLY GLN THR ALA ARG TYR 0.418033 0.712121
68 ALA GLU ALA ALA GLN ALA 0.417582 0.653061
69 ALA ARG LYS SEP THR GLY GLY LYS 0.416667 0.79661
70 ASP ALA GLU PHE ARG HIS ASP 0.415929 0.807692
71 ALA THR ALA ALA 0.415584 0.625
72 ALA ARG THR GLU LEU TYR ARG SER LEU 0.414634 0.79661
73 ILE LYS ARG SER MLZ LYS ASN SER LEU ALA 0.414141 0.818182
74 ACE ALA ARG THR GLU VAL TYR NH2 0.413793 0.821429
75 VAL ARG MET 0.413043 0.735849
76 ARG GLU ALA ALA 0.408602 0.836735
77 ACE CSO ARG ALA THR LYS MET LEU 0.408333 0.734375
78 ALA ARG LYS LEU ASP 0.40404 0.792453
79 ALA LYS ALA SER GLN ALA ALA 0.40404 0.78
80 LYS PRO VAL LEU ARG THR ALA 0.4 0.71875
81 ALA THR ALA ALA ALA THR GLU ALA TYR 0.4 0.672727
Similar Ligands (3D)
Ligand no: 1; Ligand: ALA ARG THR ALA ALA THR ALA ARG LYS SER; 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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