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 1443 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 1205 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 1039 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
Ligand no: 1; Ligand: ALA ARG THR ALA ALA THR ALA ARG LYS SER; Similar ligands found: 93
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 4WQ GLN THR ALA ARG LYS SER 0.662791 0.836364
4 ALA ARG THR ALY GLN THR ALA 0.641304 0.903846
5 ALA ARG THR M3L GLN THR ALA 2MR LYS 0.641304 0.770492
6 ALA ARG THR M3L GLN THR ALA 0.641304 0.770492
7 ALA ARG THR MLY GLN THR ALA 0.62766 0.79661
8 ALA ARG THR MLY GLN THR ALA ARG LYS TYR 0.62766 0.79661
9 ALA ARG 9AT 0.621622 0.978723
10 ALA ARG ALA ALA ALA ALA ALA ALA ALA 0.602564 0.854167
11 ALA ARG THR LYS GLN THR ALA ARG LYS 0.59596 0.94
12 ALA ARG THR MLY GLN THR ALA ARG LYS SER 0.577778 0.938776
13 ALA ARG THR MLZ GLN THR ALA ARG LYS 0.572816 0.854545
14 ALA ARG THR LYS GLN THR ALA ARG LYS SER 0.571429 0.854167
15 ALA ARG THR M3L GLN THR ALA ARG 0.554455 0.758065
16 ALA ARG THR LYS GLN THR ALA ARG 0.553191 0.92
17 ALA ARG THR M3L GLN THR ALA ALA LYS ALA 0.551402 0.758065
18 PRO ALA ALA LYS ARG VAL LYS LEU ASP 0.539326 0.8
19 ALA ARG THR MLY GLN THR ALA ARG MLY SER 0.536082 0.779661
20 ALA ARG THR M3L GLN THR ALA ARG LYS 0.535354 0.770492
21 ALA ARG THR M3L GLN THR ALA ARG LYS SER 0.535354 0.770492
22 ACE ALA ARG THR LYS GLN 0.531915 0.938776
23 HIS GLY ALA ALA ARG ALA GLU VAL HIS LEU 0.53 0.803922
24 ALA ARG THR MLZ GLN THR ALA ARG LYS TYR 0.524752 0.836364
25 ALA ARG THR MLY GLN THR ALA ARG LYS 0.524752 0.779661
26 ILE LYS ARG SER MLZ LYS ASN SER LEU ALA 0.516129 0.818182
27 ARG ARG ARG GLU THR GLN VAL 0.510417 0.921569
28 ALA GLN THR ALA ARG ALY SER THR 0.509259 0.886792
29 GLN LEU ALA THR M3L ALA ALA ARG LYS SER 0.504762 0.783333
30 ACE GLN THR ALA ARG BTK SER THR 0.495327 0.851852
31 ALA ARG THR MLY GLN 0.494949 0.766667
32 ALA LYS ALA ILE ALA 0.494382 0.68
33 ARG ARG ALA ALA 0.494118 0.875
34 GLN THR ALA ARG M3L SER 0.490741 0.758065
35 ACE GLN THR ALA ARG PRK SER THR 0.486239 0.851852
36 LYS ALA ALA ARG M3L SER ALA 0.485714 0.754098
37 ARG ARG ALA THR LYS MET NH2 0.485714 0.87037
38 ALA ILE ARG SER 0.483516 0.86
39 ALA DA2 THR M3L GLN THR ALA ARG ALA 0.482759 0.770492
40 ALA ARG THR M3L GLN THR ALA DA2 LYS 0.48 0.770492
41 ALA ARG THR MLY GLN THR ALA ARG TYR 0.478632 0.712121
42 ALA THR ALY ALA ALA ARG ALY SER ALA PRO 0.474576 0.734375
43 GLN THR ALA ARG M3L SER THR GLY 0.473684 0.758065
44 ACE GLN THR ALA ARG KCR SER THR 0.469027 0.867925
45 LYS GLN THR ALA ARG M3L SER THR GLY 0.46729 0.758065
46 GLU ALA GLN THR ARG LEU 0.46729 0.901961
47 ARG ILE ALA ALA ALA 0.464286 0.795918
48 ALA LYS ALA ALA 0.463415 0.708333
49 ILE LYS ARG SER LYS LYS ASN SER LEU ALA 0.462366 0.88
50 ALA ARG M3L SER 0.462366 0.721311
51 ALA MET ARG VAL 0.461538 0.754717
52 ACE ARG LYS VAL ARG MET 5XU 0.461538 0.754717
53 GLU ARG THR ILE PRO ILE THR ARG GLU 0.46087 0.746032
54 MET ABA LEU ARG MET THR ALA VAL MET 0.46087 0.821429
55 VAL ALA ARG SER 0.460674 0.86
56 GLN ARG ALA THR LYS MET NH2 0.45045 0.836364
57 MET CYS LEU ARG MET THR ALA VAL MET 0.449153 0.854545
58 ALA THR PRK ALA ALA ARG LYS SER 0.445545 0.754717
59 PRO ALA THR ILE MET MET GLN ARG GLY ASN 0.444444 0.821429
60 ACE GLU ALA GLN THR ARG LEU 0.444444 0.884615
61 LYS ALA ARG VAL LEU ALA GLU ALA MET 0.443478 0.745455
62 LYS ALA ARG VAL LEU ALA GLU ALA MET SER 0.443478 0.745455
63 ALA LYS ARG HIS ARG LYS VAL LEU ARG ASP 0.441667 0.666667
64 MET CYS LEU ARG NLE THR ALA VAL MET 0.438017 0.839286
65 ASN ARG LEU LEU LEU THR GLY 0.4375 0.901961
66 ALA ARG 0.435897 0.8125
67 ARG ASP ALA ALA 0.431818 0.836735
68 PHE ALA GLY LEU ARG GLN ALA VAL THR GLN 0.428571 0.884615
69 THR ARG ARG GLU THR GLN LEU 0.428571 0.903846
70 THR ALA ARG MYK SER THR GLY 0.428571 0.839286
71 ARG LEU GLN ARG ARG ARG GLU THR GLN VAL 0.427273 0.903846
72 ALA THR ARG ASN PHE SER GLY 0.426087 0.87037
73 ALA THR VAL ARG THR TYR SER CYS 0.422414 0.824561
74 ALA PRO ALA LEU ARG VAL VAL LYS 0.421569 0.788462
75 ALA ARG MLZ SER ALA PRO ALA THR 0.419355 0.691176
76 ALA MET ALA PRO ARG THR LEU LEU LEU 0.419355 0.666667
77 ARG ALA ARG 0.418605 0.829787
78 ALA GLU ALA ALA GLN ALA 0.417582 0.653061
79 ALA ARG LYS SEP THR GLY GLY LYS 0.416667 0.79661
80 ASP ALA GLU PHE ARG HIS ASP 0.415929 0.807692
81 ALA THR ALA ALA 0.415584 0.625
82 ALA ARG THR GLU LEU TYR ARG SER LEU 0.414634 0.79661
83 ACE ALA ARG THR GLU VAL TYR NH2 0.413793 0.821429
84 MET ARG THR GLY ASN ALA XSN 0.410256 0.824561
85 ARG GLU ALA ALA 0.408602 0.836735
86 ACE CSO ARG ALA THR LYS MET LEU 0.408333 0.734375
87 ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG 0.404494 0.8125
88 ARG ARG ARG ARG ARG ARG ARG ARG 0.404494 0.8125
89 ALA ARG LYS LEU ASP 0.40404 0.792453
90 ALA LYS ALA SER GLN ALA ALA 0.40404 0.78
91 LYS PRO VAL LEU ARG THR ALA 0.4 0.71875
92 ALA THR ALA ALA ALA THR GLU ALA TYR 0.4 0.672727
93 ARG ASP ARG ALA ALA LYS LEU 0.4 0.788462
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
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