Receptor
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
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ZN A:1801;
B:1802;
D:1802;
C:1802;
D:1801;
B:1801;
A:1802;
C: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...
PO4 A:1803;
B:1803;
 Invalid;
Invalid;
 none;
none;
 submit data
94.971 O4 P [O-]P...
GOL C:1803;
 Invalid;
 none;
 submit data
92.094 C3 H8 O3 C(C(C...
ALA ARG THR LYS GLN THR ALA ARG LYS SER E:1;
G:1;
 Valid;
Valid;
 Atoms found LESS than expected: % Diff = 0.463;
Atoms found LESS than expected: % Diff = 0.275;
 Kd = 51 uM
618.733 n/a O=C(N...
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 LYS GLN THR ALA ARG LYS SER; Similar ligands found: 42
No: Ligand ECFP6 Tc MDL keys Tc
1 ALA ARG THR LYS GLN THR ALA ARG LYS SER 1 1
2 ALA LYS ALA ALA 0.69697 0.833333
3 ALA LYS ALA ILE ALA 0.689189 0.795455
4 ALA THR PRK ALA ALA ARG LYS SER 0.586207 0.87234
5 ALA ARG THR ALA ALA THR ALA ARG LYS SER 0.571429 0.854167
6 ALA LYS ALA SER GLN ALA ALA 0.559524 0.909091
7 ALA ALA LEU THR ARG ALA 0.556818 0.8
8 ALA HIS ALA LYS ALA 0.52809 0.660377
9 ARG ARG ALA THR LYS MET NH2 0.494949 0.777778
10 ALA ALA SER ALA SER ALA 0.486111 0.837209
11 ALA LEU SER ARG GLN 0.486111 0.813953
12 ALA ARG THR LYS GLN THR ALA ARG LYS 0.485149 0.84
13 LYS THR LYS LEU LEU 0.482353 0.891304
14 ALA ARG THR M3L GLN THR ALA ARG LYS 0.479167 0.7
15 ALA LEU SER ARG 0.478873 0.813953
16 ALA ARG THR ALY GLN THR ALA 0.474227 0.807692
17 ALA ARG THR LYS GLN THR ALA ARG 0.468085 0.82
18 SER LEU LEU LYS LYS LEU LEU LEU ALA 0.463415 0.869565
19 ALA ARG THR M3L GLN THR ALA 2MR LYS 0.459184 0.688525
20 GLN ARG ALA THR LYS MET NH2 0.457143 0.745455
21 LYS THR LYS 0.454545 0.909091
22 LEU LYS THR LYS LEU LEU 0.454545 0.891304
23 ALA ALA SER LEU TYR GLU LYS LYS ALA ALA 0.453704 0.759259
24 ALA ARG THR MLY GLN THR ALA ARG LYS TYR 0.45 0.711864
25 THR LYS THR ALA THR ILE ASN ALA SER 0.441176 0.875
26 SER LYS SER MLZ ASP ARG LYS TYR THR LEU 0.44086 0.82
27 DLE DLY DAL DLE DLY DLY DLE DAL ZDC 0.44 0.719298
28 ALA ARG THR M3L GLN THR ALA ALA LYS ALA 0.436364 0.677419
29 ALA THR ILE MET MET GLN ARG GLY 0.430108 0.653061
30 ALA THR LYS ILE ASP ASN LEU ASP 0.428571 0.857143
31 LYS LYS LYS ALA 0.428571 0.795455
32 LYS ILE ALA ALA 0.428571 0.772727
33 ALA THR ALA ALA ALA THR GLU ALA TYR 0.418367 0.74
34 ACE ALA ARG THR LYS GLN 0.416667 0.836735
35 ILE LEU ASN ALA MET ILE THR LYS ILE 0.414414 0.807692
36 ACE CSO ARG ALA THR LYS MET LEU 0.412281 0.65625
37 GLY LEU TYR ALA SER LYS LEU ALA 0.409524 0.773585
38 ALA GLU ALA ALA GLN ALA 0.406977 0.727273
39 ALA THR ALY ALA ALA ARG ALY SER ALA PRO 0.40678 0.65625
40 DLY DTY DLY DLY DAL DLE ZDC 0.40367 0.706897
41 ALA THR ALA ALA 0.402778 0.697674
42 LYS SER ALA TPO THR THR VAL MET ASN PRO 0.4 0.807692
Similar Ligands (3D)
Ligand no: 1; Ligand: ALA ARG THR LYS GLN 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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