Receptor
PDB id Resolution Class Description Source Keywords
2VPE 1.7 Å NON-ENZYME: OTHER DECODING OF METHYLATED HISTONE H3 TAIL BY THE PYGO-BCL9 WNT SIGNALING COMPLEX HOMO SAPIENS GENE REGULATION WNT SIGNALING PATHWAY WNT SIGNALING COMPLEX CHROMOSOMAL REARRANGEMENT SIGNALING PROTEIN BCL9 HD1 DOMAIN HPYGO1 PHD DOMAIN PROTO-ONCOGENE PHOSPHOPROTEIN HISTONE H3K4ME2 ZINC NUCLEUS ZINC-FINGER METAL-BINDING
Ref.: DECODING OF METHYLATED HISTONE H3 TAIL BY THE PYGO- BCL9 WNT SIGNALING COMPLEX. MOL.CELL V. 30 507 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ALA ARG THR MLY GLN THR ALA P:1;
R:1;
Valid;
Valid;
none;
none;
Kd = 0.93 uM
789.957 n/a O=C(N...
GOL A:1399;
Invalid;
none;
submit data
92.094 C3 H8 O3 C(C(C...
ZN A:1400;
A:1401;
C:1398;
C:1399;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2VPE 1.7 Å NON-ENZYME: OTHER DECODING OF METHYLATED HISTONE H3 TAIL BY THE PYGO-BCL9 WNT SIGNALING COMPLEX HOMO SAPIENS GENE REGULATION WNT SIGNALING PATHWAY WNT SIGNALING COMPLEX CHROMOSOMAL REARRANGEMENT SIGNALING PROTEIN BCL9 HD1 DOMAIN HPYGO1 PHD DOMAIN PROTO-ONCOGENE PHOSPHOPROTEIN HISTONE H3K4ME2 ZINC NUCLEUS ZINC-FINGER METAL-BINDING
Ref.: DECODING OF METHYLATED HISTONE H3 TAIL BY THE PYGO- BCL9 WNT SIGNALING COMPLEX. MOL.CELL V. 30 507 2008
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 2VPE Kd = 0.93 uM ALA ARG THR MLY GLN THR ALA 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 2VPE Kd = 0.93 uM ALA ARG THR MLY GLN THR ALA 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 2VPE Kd = 0.93 uM ALA ARG THR MLY GLN THR ALA n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ALA ARG THR MLY GLN THR ALA; Similar ligands found: 79
No: Ligand ECFP6 Tc MDL keys Tc
1 ALA ARG THR MLY GLN THR ALA ARG LYS TYR 1 1
2 ALA ARG THR MLY GLN THR ALA 1 1
3 ALA ARG THR ALY GLN THR ALA 0.811111 0.881356
4 ALA ARG THR M3L GLN THR ALA 0.802198 0.967213
5 ALA ARG THR M3L GLN THR ALA ARG LYS SER 0.802198 0.967213
6 ALA ARG THR M3L GLN THR ALA 2MR LYS 0.802198 0.967213
7 ALA ARG THR MLY GLN 0.775281 0.966667
8 ALA ARG THR MLY GLN THR ALA ARG LYS 0.773196 1
9 ALA ARG THR MLY GLN THR ALA ARG MLY SER 0.758242 0.983051
10 ALA ARG THR LYS GLN THR ALA ARG LYS SER 0.747368 0.847458
11 ALA ARG THR M3L GLN THR ALA ARG LYS 0.683673 0.967213
12 ALA ARG THR MLZ GLN THR ALA ARG LYS TYR 0.683673 0.915254
13 ALA ARG THR 4WQ GLN THR ALA ARG LYS SER 0.666667 0.852459
14 ALA ARG THR LYS GLN THR ALA ARG 0.653465 0.847458
15 ALA ARG THR LYS GLN THR ALA ARG LYS 0.653465 0.847458
16 ALA 2MR THR MLY GLN THR ALA ALA 0.62963 0.983333
17 ALA ARG THR MLY GLN THR ALA ARG TYR 0.628319 0.893939
18 ALA ARG THR M3L GLN THR ALA ARG 0.59434 0.951613
19 ALA ARG THR MLY GLN THR ALA ARG LYS SER 0.59375 0.783333
20 ALA ARG THR M3L GLN THR ALA ALA LYS ALA 0.585586 0.951613
21 ALA ALA LEU THR ARG ALA 0.57 0.813559
22 ALA ARG THR MLZ GLN THR ALA ARG LYS 0.567568 0.916667
23 ARG LEU GLN ARG ARG ARG GLU THR GLN VAL 0.546296 0.85
24 THR ARG ARG GLU THR GLN LEU 0.533333 0.85
25 PRO ALA THR ILE MET MET GLN ARG GLY ASN 0.522523 0.83871
26 ALA GLN THR ALA ARG ALY SER THR 0.521739 0.866667
27 LYS ALA ALA ARG ALY SER ALA PRO ALA 0.520408 0.816667
28 ARG ARG ARG GLU THR GLN VAL 0.514852 0.8
29 ALA ARG THR M3L GLN THR ALA DA2 LYS 0.511628 0.967213
30 ILE LYS ARG SER MLZ LYS ASN SER LEU ALA 0.51 0.866667
31 ALA ARG MLY SER THR GLY GLY ALY 0.508333 0.951613
32 ALA DA2 THR M3L GLN THR ALA ARG ALA 0.504065 0.967213
33 GLU ALA GLN THR ARG LEU 0.495495 0.816667
34 ACE GLN THR ALA ARG KCR SER THR 0.479675 0.836066
35 PRO ALA ALA LYS ARG VAL LYS LEU ASP 0.479592 0.728814
36 SAC ARG GLY THR GLN THR GLU 0.474138 0.790323
37 LYS GLN THR SER VAL 0.473684 0.672131
38 LEU GLY GLY ALA LYS GLN ARG GLY ASP VAL 0.473214 0.754098
39 ALA ARG M3L SER 0.465347 0.887097
40 ALA LYS ALA SER GLN ALA ALA 0.460784 0.683333
41 ALA ARG THR GLU LEU TYR ARG SER LEU 0.460317 0.761194
42 PHE ALA GLY LEU ARG GLN ALA VAL THR GLN 0.456897 0.803279
43 ACE ALA ARG THR LYS GLN 0.45283 0.813559
44 GLN THR ALA ARG M3L SER THR GLY 0.443548 0.951613
45 ALA THR ARG ASN PHE SER GLY 0.442623 0.738462
46 ILE LYS ARG SER LYS LYS ASN SER LEU ALA 0.44 0.766667
47 GLN ARG ALA THR LYS MET NH2 0.439655 0.883333
48 GLU THR VAL ARG PHE GLN SER ASP 0.439394 0.765625
49 ALA LYS ARG HIS ARG MLY VAL LEU ARG ASP 0.4375 0.797101
50 ALA ILE ARG SER 0.431373 0.721311
51 GLU ARG THR ILE PRO ILE THR ARG GLU 0.429688 0.771429
52 GLN LEU ALA THR M3L ALA ALA ARG LYS SER 0.426357 0.967213
53 ALA MET ARG VAL 0.425743 0.75
54 ARG HIS ARG MLY VAL LEU ARG ASP ASN 0.425373 0.811594
55 ALA ARG LYS SEP THR GLY GLY LYS 0.424 0.761194
56 ARG HIS ARG MLY VAL LEU ARG ASP TYR 0.422535 0.780822
57 SER SER ARG LYS GLU TYR TYR ALA 0.422414 0.676471
58 ACE ARG LYS VAL ARG MET 5XU 0.421569 0.75
59 ALA ARG ALA ALA ALA ALA ALA ALA ALA 0.421053 0.683333
60 LYS ARG ARG LYS SEP VAL 0.420561 0.716418
61 ALA ASN SER ARG TRP ALY THR SER ILE ILE 0.41958 0.69863
62 ALA THR VAL ARG THR TYR SER CYS 0.419355 0.705882
63 GLN ARG SER THR SEP THR 0.418803 0.731343
64 HIS GLY ALA ALA ARG ALA GLU VAL HIS LEU 0.417391 0.733333
65 ALA PRO ALA LEU ARG VAL VAL LYS 0.416667 0.75
66 ARG GLU ARG SER PRO THR ARG 0.415929 0.7
67 ILE GLN GLN SER ILE GLU ARG ILE 0.415254 0.774194
68 THR ILE MET MET GLN ARG GLY 0.415254 0.825397
69 ALA ARG LYS ILE ASP ASN LEU ASP 0.414634 0.777778
70 THR ALA ARG M3L SER THR GLY GLY LYS ALA 0.409091 0.951613
71 ALA ASN SER ARG TRP GLN ASP THR ARG LEU 0.408759 0.71831
72 LYS ALA ALA ARG M3L SER ALA 0.40678 0.919355
73 ACE ALA ARG THR GLU VAL TYR NH2 0.406504 0.727273
74 ASN ARG LEU LEU LEU THR GLY 0.40566 0.833333
75 LYS GLN THR ALA ARG M3L SER THR GLY 0.404959 0.951613
76 ALA ARG M3L SER THR GLY GLY ALY 0.403101 0.921875
77 LYS ILE LEU HIS ARG LEU LEU GLN ASP 0.403101 0.642857
78 ARG ARG ALA THR LYS MET NH2 0.401709 0.883333
79 ALA ASN SER ARG TRP GLN THR SER ILE ILE 0.4 0.671233
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2VPE; Ligand: ALA ARG THR MLY GLN THR ALA; Similar sites found: 8
This union binding pocket(no: 1) in the query (biounit: 2vpe.bio2) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3TW1 AHN 0.0162 0.40803 None
2 3KFC 61X 0.01449 0.41028 3.1746
3 2OUA AES 0.0132 0.40625 6.34921
4 4XWM CBI 0.02598 0.40032 6.34921
5 1R1Q ACE ARG GLU PTR VAL ASN VAL 0.006749 0.4282 7.93651
6 1TV5 N8E 0.02427 0.40918 9.52381
7 3K87 FAD 0.00587 0.42899 14.2857
8 5WXH ALA ARG THR M3L GLN THR ALA 0.00003308 0.49679 33.3333
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