Receptor
PDB id Resolution Class Description Source Keywords
6LSD 2.05 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF YEATS DOMAIN OF HUMAN YEATS2 IN COMPLEX H3K27BZ PEPTIDE HOMO SAPIENS YEATS DOMAIN HISTONE KBZ MODIFICATION TRANSCRIPTION
Ref.: HISTONE BENZOYLATION SERVES AS AN EPIGENETIC MARK F AND YEATS FAMILY PROTEINS. NUCLEIC ACIDS RES. 2020
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SO4 B:401;
B:404;
C:101;
B:405;
D:101;
B:403;
A:402;
A:401;
B:402;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
none;
none;
none;
none;
 submit data
96.063 O4 S [O-]S...
ACE ALA ALA ARG LBZ SER ALA PRO ALA D:23;
C:23;
 Valid;
Valid;
 none;
none;
 submit data
917.035 n/a O=C([...
GOL A:403;
 Invalid;
 none;
 submit data
92.094 C3 H8 O3 C(C(C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5IQL 2.1 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF YEATS2 YEATS BOUND TO H3K27CR PEPTIDE HOMO SAPIENS BETA SANDWICH PROTEIN BINDING
Ref.: YEATS2 IS A SELECTIVE HISTONE CROTONYLATION READER. CELL RES. V. 26 629 2016
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 5IQL Kd = 31.7 uM ALA ALA ARG KCR SER ALA PRO ALA n/a n/a
2 6LSD - ACE ALA ALA ARG LBZ SER ALA PRO ALA n/a n/a
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 5IQL Kd = 31.7 uM ALA ALA ARG KCR SER ALA PRO ALA n/a n/a
2 6LSD - ACE ALA ALA ARG LBZ SER ALA PRO ALA n/a n/a
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 5IQL Kd = 31.7 uM ALA ALA ARG KCR SER ALA PRO ALA n/a n/a
2 6LSD - ACE ALA ALA ARG LBZ SER ALA PRO ALA n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: ACE ALA ALA ARG LBZ SER ALA PRO ALA; Similar ligands found: 58
No: Ligand ECFP6 Tc MDL keys Tc
1 ACE ALA ALA ARG LBZ SER ALA PRO ALA 1 1
2 ALA ALA ARG KCR SER ALA PRO ALA 0.58042 0.953846
3 ALA ARG MLZ SER ALA PRO ALA THR 0.556338 0.885714
4 ACE GLY LYS SER PHE SER LYS PRO ARG 0.503401 0.865672
5 LYS ALA PRO ARG ALY GLN LEU ALA THR LYS 0.503185 0.884058
6 ALA THR ALY ALA ALA ARG ALY SER ALA PRO 0.5 0.910448
7 ALA ASN SER ARG TRP PRO THR SER 2KK ILE 0.47541 0.797468
8 SER PRO LYS ARG ILE ALA 0.468085 0.923077
9 ALA ASN SER ARG TRP PRO THR SER 2KP ILE 0.467742 0.797468
10 GLY ARG PRO ARG THR THR SER PHE ALA GLU 0.466667 0.940298
11 5JP PRO LYS ARG ILE ALA 0.465278 0.895522
12 THR PRO ARG ARG SER MLZ SER ALA 0.464789 0.871429
13 ALA ASN SER ARG ALA PRO THR SER ILE ILE 0.461538 0.871429
14 SER ALA PRO ASP THR ARG PRO ALA 0.46 0.911765
15 ILE ARG ALA ALA PRO PRO PRO LEU PHE 0.459119 0.855072
16 ACE SER LEU ARG PRO ALA PRO LPD 0.44898 0.897059
17 ARG GLN PRO ALA LYS ALA PRO LEU LEU 0.448718 0.826087
18 ARG LEU PRO ALA LYS ALA PRO LEU LEU 0.444444 0.838235
19 ARG ARG LEU PRO ILE PHE SER ARG LEU 0.444444 0.926471
20 ALA ASN SER ARG PHE PRO THR SER ILE ILE 0.443114 0.885714
21 ALA ASN SER ARG TRP PRO THR SER ALY ILE 0.441989 0.853333
22 ALA ASN SER ARG ALY PRO THR SER ILE ILE 0.439759 0.873239
23 VAL MET ALA PRO ARG ALA LEU LEU LEU 0.434211 0.814286
24 ALA ASN SER ARG TRP PRO ALY SER ILE ILE 0.434066 0.864865
25 TYR PRO LYS ARG ILE ALA 0.433121 0.842857
26 LEU PRO PHE GLU ARG ALA THR VAL MET 0.431034 0.861111
27 ARG PRO LYS ARG ILE ALA 0.42953 0.835821
28 LYS PRO VAL LEU ARG THR ALA 0.428571 0.895522
29 ARG ARG ARG GLU ARG SER PRO THR ARG 0.428571 0.895522
30 ALA GLN THR ALA ARG ALY SER THR 0.424658 0.720588
31 ACE GLN GLU ARG GLU VAL PRO CYS 0.422819 0.850746
32 ALA ASN SER ARG VAL PRO THR SER ILE ILE 0.422078 0.869565
33 GLY LEU LEU GLY SER PRO VAL ARG ALA 0.419355 0.880597
34 ASN PRO ARG ALA MET GLN ALA LEU LEU 0.417722 0.805556
35 VAL MET ALA PRO ARG THR LEU PHE LEU 0.417647 0.887324
36 ALA ASN SER ARG TRP PRO THR SER FAK ILE 0.417112 0.807692
37 1IP CYS PHE SER LYS PRO ARG 0.415663 0.926471
38 DMG PRO ARG ARG ARG SER ARG LYS PRO 0.415493 0.857143
39 ALA ASN SER ARG TYR PRO THR SER ILE ILE 0.413174 0.849315
40 ALA ASN SER ARG TRP PRO THR THR ARG LEU 0.412791 0.851351
41 ALA PHE ARG ILE PRO LEU THR ARG 0.412121 0.898551
42 LEU PRO PHE GLU ARG ALA THR ILE MET 0.410112 0.849315
43 ARG ILE PRO SER TYR ARG TYR ARG TYR 0.408805 0.849315
44 ACE GLN THR ALA ARG PRK SER THR 0.408163 0.746269
45 ALA MET ALA PRO ARG THR LEU LEU LEU 0.407643 0.859155
46 DPN PRO DAR DTH NH2 0.406897 0.907692
47 3BY PRO LYS ARG ILE ALA 0.406452 0.802817
48 ARG ARG ALA SEP ALA PRO LEU PRO 0.40625 0.797297
49 LEU GLN ARG VAL LEU SEP ALA PRO PHE 0.406061 0.835616
50 DPN PRO DAR CYS NH2 0.405594 0.830769
51 ASP ARG VAL GLU LEU ASN ALA PRO ARG GLN 0.405063 0.867647
52 HIS HIS ALA SER PRO ARG LYS 0.403614 0.867647
53 ACE ARG THR PRO SEP LEU PRO THR 60H 0.403509 0.805195
54 ASN ARG PRO ILE LEU SER LEU 0.402597 0.857143
55 PHE ASN ARG PRO VAL 0.401316 0.880597
56 GLN ALA SER TPO PRO ARG NIT 0.401163 0.756098
57 ALA ILE MET PRO ALA ARG PHE TYR PRO LYS 0.4 0.766234
58 LYS ARG LYS SER ARG TRP ASP GLU THR PRO 0.4 0.887324
Similar Ligands (3D)
Ligand no: 1; Ligand: ACE ALA ALA ARG LBZ SER ALA PRO ALA; 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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