Receptor
PDB id Resolution Class Description Source Keywords
4HCZ 1.85 Å NON-ENZYME: OTHER PHF1 TUDOR IN COMPLEX WITH H3K36ME3 HOMO SAPIENS PROTEIN-PEPTIDE COMPLEX TUDOR HISTONE BINDING H3K36ME3 NNUCLEUS TRANSCRIPTION
Ref.: MOLECULAR BASIS FOR H3K36ME3 RECOGNITION BY THE TUD OF PHF1. NAT.STRUCT.MOL.BIOL. V. 19 1266 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SER THR GLY GLY VAL M3L LYS PRO HIS ARG C:31;
D:34;
Valid;
Valid;
none;
none;
Kd = 36 uM
1096.35 n/a O=C(N...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4HCZ 1.85 Å NON-ENZYME: OTHER PHF1 TUDOR IN COMPLEX WITH H3K36ME3 HOMO SAPIENS PROTEIN-PEPTIDE COMPLEX TUDOR HISTONE BINDING H3K36ME3 NNUCLEUS TRANSCRIPTION
Ref.: MOLECULAR BASIS FOR H3K36ME3 RECOGNITION BY THE TUD OF PHF1. NAT.STRUCT.MOL.BIOL. V. 19 1266 2012
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 4HCZ Kd = 36 uM SER THR GLY GLY VAL M3L LYS PRO HIS ARG n/a n/a
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1068 families.
1 4HCZ Kd = 36 uM SER THR GLY GLY VAL M3L LYS PRO HIS ARG n/a n/a
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 922 families.
1 4HCZ Kd = 36 uM SER THR GLY GLY VAL M3L LYS PRO HIS ARG n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: SER THR GLY GLY VAL M3L LYS PRO HIS ARG; Similar ligands found: 54
No: Ligand ECFP6 Tc MDL keys Tc
1 SER THR GLY GLY VAL M3L LYS PRO HIS ARG 1 1
2 HIS HIS ALA SER PRO ARG LYS 0.534884 0.815789
3 SER HIS PRO ARG PRO ILE ARG VAL 0.52907 0.87013
4 TYR LEU LYS GLU PRO VAL HIS GLY VAL 0.521978 0.725
5 LYS ARG ARG ARG HIS PRO SER GLY 0.520958 0.853333
6 ILE LEU LYS GLU PRO VAL HIS GLY VAL 0.519553 0.727273
7 LYS ARG ARG ARG HIS PRO SER 0.512048 0.813333
8 GLU VAL ALA PRO PRO GLU TYR HIS ARG LYS 0.497462 0.8125
9 SER SER TYR ARG ARG PRO VAL GLY ILE 0.483516 0.848101
10 SER ARG ASP HIS SER ARG THR PRO MET 0.475936 0.922078
11 LYS GLY GLY ALA ALY ARG HIS ARG LYS ILE 0.473988 0.746667
12 ARG ARG ARG GLU ARG SER PRO THR ARG 0.470588 0.815789
13 PHE PRO ARG PRO TRP LEU HIS GLY LEU 0.452261 0.7875
14 GLU LEU PRO PRO VAL LYS ILE HIS CYS 0.450777 0.730769
15 ALA LEU PRO HIS ALA ILE LEU ARG LEU 0.448649 0.792208
16 ASP VAL GLN THR GLY ARG ARG PRO TYR GLU 0.447368 0.822785
17 ALA TRP ARG HIS PRO GLN PHE GLY GLY 0.447236 0.7375
18 ARG GLY PHE ALA LEU M3L SER THR HIS GLY 0.443299 0.935065
19 GLY HIS ARG PRO 0.440994 0.763158
20 ARG SER HIS SEP SER PRO ALA SER LEU GLN 0.436548 0.8625
21 PRO LYS ARG PRO THR THR LEU ASN LEU PHE 0.435897 0.881579
22 GLY LEU LEU GLY SER PRO VAL ARG ALA 0.434286 0.802632
23 ASP ARG VAL TYR ILE HIS PRO PHE 0.432836 0.792683
24 ILE ARG TYR PRO LYS THR PHE GLY TRP 0.429952 0.783133
25 SER ALA PRO ASP THR ARG PRO ALA 0.428571 0.855263
26 LYS PRO ILE VAL VAL LEU HIS GLY TYR 0.427835 0.716049
27 ALA ARG SER HIS SEP TYR PRO ALA 0.427835 0.797619
28 ARG ILE ILE PRO ARG HIS LEU GLN LEU 0.427083 0.818182
29 SER HIS SEP SER PRO ALA SER LEU GLN 0.427083 0.8125
30 ASN TRP SER HIS PRO GLN PHE GLU LYS 0.423077 0.666667
31 ARG VAL ALA SER PRO THR SER GLY VAL 0.41573 0.828947
32 THR ALA ARG M3L SER THR GLY GLY LYS ALA 0.41573 0.826667
33 LYS PRO VAL LEU ARG THR ALA 0.414773 0.815789
34 ALA LYS ARG HIS ARG LYS VAL LEU ARG ASP 0.414773 0.75
35 GLY HIS ARG PRO NH2 0.414634 0.76
36 ASP ARG VAL GLU LEU ASN ALA PRO ARG GLN 0.414365 0.815789
37 SER HIS SEP SER PRO ALA SER LEU 0.413978 0.7875
38 ARG TYR PRO LEU THR PHE GLY TRP CYS PHE 0.412037 0.817073
39 SER THR SEP PRO THR PHE ASN LYS 0.411458 0.753086
40 ALA PRO ASP THR ARG PRO ALA PRO 0.410405 0.842105
41 ALA LYS ARG HIS ARG MLZ VAL LEU ARG ASP 0.410112 0.773333
42 GLN VAL PRO LEU ARG PRO MET THR TYR LYS 0.409756 0.8625
43 LEU PRO LYS MYK THR GLY GLY 0.407609 0.763158
44 LYS PRO HIS SER ASP 0.406977 0.763158
45 ARG LEU TYR HIS SEP LEU PRO ALA 0.406091 0.809524
46 SER PRO LYS ARG ILE ALA 0.404624 0.779221
47 GLN LEU ALA THR M3L ALA ALA ARG LYS SER 0.404494 0.813333
48 ARG PHE PRO LEU THR PHE GLY TRP 0.403941 0.825
49 ASN PHE ASP ASN PRO VAL TYR ARG LYS THR 0.403941 0.814815
50 MET SER LEU PRO GLY ARG TRP LYS PRO LYS 0.403846 0.875
51 PHE SER HIS PRO GLN ASN THR 0.403226 0.782051
52 ALA ASN SER ARG VAL PRO THR SER ILE ILE 0.402235 0.818182
53 ARG ILE PRO SER TYR ARG TYR ARG TYR 0.40107 0.802469
54 GLU ALA ASP PRO THR GLY HIS SER TYR 0.4 0.7625
Similar Binding Sites (Proteins are less than 50% similar to leader)
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