Receptor
PDB id Resolution Class Description Source Keywords
6FHU 2 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF BAZ2A PHD ZINC FINGER IN COMPLEX WITH H 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 9AT H:1;
G:1;
F:1;
Valid;
Valid;
Valid;
none;
Atoms found LESS than expected: % Diff = 0.208;
Atoms found LESS than expected: % Diff = 0.208;
Kd = 2.3 mM
347.42 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 9AT; Similar ligands found: 95
No: Ligand ECFP6 Tc MDL keys Tc
1 ALA ARG 9AT 1 1
2 ALA ARG THR 4WQ GLN THR ALA ARG LYS SER 0.64 0.851852
3 ALA ARG THR ALA ALA THR ALA ARG LYS SER 0.621622 0.978723
4 ALA ARG THR MLY GLN THR ALA ARG LYS SER 0.605263 0.958333
5 ARG ARG ARG GLU THR GLN VAL 0.602564 0.901961
6 ALA ARG ALA ALA ALA ALA ALA ALA ALA 0.590909 0.87234
7 ALA ARG 0.586207 0.829787
8 ALA ARG THR LYS GLN THR ALA ARG 0.575 0.938776
9 ALA ARG THR MLY GLN 0.560976 0.779661
10 ALA ARG THR ALY GLN THR ALA 0.559524 0.884615
11 ALA ARG THR M3L GLN THR ALA 2MR LYS 0.559524 0.754098
12 ALA ARG THR M3L GLN THR ALA 0.559524 0.754098
13 ALA ARG THR MLY GLN THR ALA ARG MLY SER 0.554217 0.793103
14 ALA ARG THR M3L GLN THR ALA ARG LYS SER 0.552941 0.754098
15 ALA ARG THR M3L GLN THR ALA ARG LYS 0.552941 0.754098
16 ALA ARG THR MLY GLN THR ALA 0.546512 0.779661
17 ALA ARG THR MLY GLN THR ALA ARG LYS TYR 0.546512 0.779661
18 ALA ARG THR MLY GLN THR ALA ARG LYS 0.54023 0.793103
19 ALA ARG THR MLZ GLN THR ALA ARG LYS TYR 0.54023 0.851852
20 ALA ILE ARG SER 0.533333 0.877551
21 ALA MET ARG VAL 0.527027 0.769231
22 ILE LYS ARG SER LYS LYS ASN SER LEU ALA 0.526316 0.897959
23 ALA ARG M3L SER 0.526316 0.704918
24 ALA ALA LEU THR ARG ALA 0.52439 0.958333
25 ALA ARG THR M3L GLN THR ALA ARG 0.522222 0.741935
26 ALA ARG THR LYS GLN THR ALA ARG LYS 0.516484 0.92
27 ALA ARG THR MLZ GLN THR ALA ARG LYS 0.494737 0.836364
28 THR ARG ARG GLU THR GLN LEU 0.494253 0.884615
29 ACE ALA ARG THR LYS GLN 0.493976 0.958333
30 ILE LYS ARG SER MLZ LYS ASN SER LEU ALA 0.493827 0.833333
31 ALA PRO ALA LEU ARG VAL VAL LYS 0.488095 0.803922
32 LYS ARG ARG LYS SEP VAL 0.488095 0.728814
33 ALA ARG LYS LEU ASP 0.4875 0.807692
34 ARG ARG ALA ALA 0.486111 0.854167
35 PRO ALA ALA LYS ARG VAL LYS LEU ASP 0.481013 0.816327
36 ALA ARG THR M3L GLN THR ALA ALA LYS ALA 0.474747 0.741935
37 ARG LEU GLN ARG ARG ARG GLU THR GLN VAL 0.473118 0.884615
38 VAL ALA ARG SER 0.466667 0.877551
39 GLU ARG GLY MET THR 0.465909 0.814815
40 PRO ALA THR ILE MET MET GLN ARG GLY ASN 0.462366 0.836364
41 ARG GLU ARG SER PRO THR ARG 0.460674 0.68254
42 ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG 0.458333 0.791667
43 ARG ARG ARG ARG ARG ARG ARG ARG 0.458333 0.791667
44 GLU ALA GLN THR ARG LEU 0.457447 0.92
45 ASN ARG LEU LEU LEU THR GLY 0.45679 0.92
46 LYS ARG LYS 0.452055 0.795918
47 GLU ARG THR ILE PRO ILE THR ARG GLU 0.45098 0.730159
48 ARG ARG GLY ILE NH2 0.447368 0.784314
49 ARG ARG ALA THR LYS MET NH2 0.446809 0.851852
50 ARG VAL 0.446154 0.833333
51 PRO PRO LYS LYS LYS ARG LYS VAL 0.443038 0.816327
52 LEU GLY GLY ALA LYS GLN ARG GLY ASP VAL 0.442105 0.807692
53 ALA ARG THR GLU LEU TYR ARG SER LEU 0.439252 0.779661
54 ARG GLY THR 0.438356 0.877551
55 ARG ARG ARG VAL ARG 00S 0.436782 0.740741
56 ARG SER ARG 0.43662 0.877551
57 ALA THR VAL ARG THR TYR SER CYS 0.435644 0.807018
58 ARG ARG GLY LEU NH2 0.434211 0.784314
59 ALA DA2 THR M3L GLN THR ALA ARG ALA 0.433962 0.754098
60 ACE GLU ALA GLN THR ARG LEU 0.431579 0.901961
61 ACE ARG LYS VAL ARG MET 5XU 0.43038 0.769231
62 PRO SER ARG VAL 0.428571 0.803571
63 ALA ARG M3L SER THR GLY GLY ALY 0.428571 0.71875
64 ALA ARG LYS SEP THR GLY GLY LYS 0.428571 0.779661
65 ALA THR ARG ASN PHE SER GLY 0.425743 0.851852
66 ASN ARG LEU MET LEU THR GLY 0.425532 0.821429
67 ALA ARG MLY SER THR GLY GLY ALY 0.424528 0.741935
68 ALA ARG MLZ SER THR GLY GLY ALY 0.424528 0.793103
69 SER SER ARG LYS GLU TYR TYR ALA 0.42268 0.741379
70 ALA PTR ARG 0.418605 0.672131
71 ALA ARG THR MLY GLN THR ALA ARG TYR 0.416667 0.69697
72 PHE ALA GLY LEU ARG GLN ALA VAL THR GLN 0.414141 0.901961
73 ACE GLY VAL NLE ARG ILE NH2 0.413793 0.784314
74 LYS ARG LYS ARG LYS ARG LYS ARG LYS ARG 0.4125 0.77551
75 LYS GLN THR ALA ARG M3L SER THR GLY 0.412371 0.741935
76 ACE ALA ARG THR GLU VAL TYR NH2 0.411765 0.836364
77 SER GLY ARG GLY LYS NH2 0.410256 0.88
78 GLN ARG ALA THR LYS MET NH2 0.41 0.851852
79 GLN THR ALA ARG M3L SER 0.41 0.741935
80 ACE THR ARG GLU 0.408451 1
81 SAC ARG GLY THR GLN THR GLU 0.408163 0.884615
82 ARG ARG GLY CYS NH2 0.407895 0.78
83 MET ARG THR GLY ASN ALA XSN 0.407767 0.807018
84 THR ALA ARG M3L SER THR 0.407407 0.704918
85 THR ILE MET MET GLN ARG GLY 0.40625 0.821429
86 ILE GLN GLN SER ILE GLU ARG ILE 0.40625 0.865385
87 ALA MET ALA PRO ARG THR LEU LEU LEU 0.405405 0.676471
88 ALA ARG MLZ SER ALA PRO ALA THR 0.405405 0.676471
89 ARG GLU ALA ALA 0.405063 0.854167
90 LYS ALA ARG VAL LEU ALA GLU ALA MET 0.403846 0.759259
91 ALA ARG LYS ILE ASP ASN LEU ASP 0.403846 0.767857
92 LYS ALA ARG VAL LEU ALA GLU ALA MET SER 0.403846 0.759259
93 LYS GLN THR SER VAL 0.402597 0.745098
94 ASN ARG LEU ILE LEU THR GLY 0.4 0.823529
95 ACE GLN THR ALA ARG BTK SER THR 0.4 0.867925
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
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