Receptor
PDB id Resolution Class Description Source Keywords
4X8N 2.1 Å EC: 2.-.-.- CRYSTAL STRUCTURE OF ASH2L SPRY DOMAIN IN COMPLEX WITH PHOSP RBBP5 HOMO SAPIENS HISTONE MLL1 CHROMATIN EPIGENETICS PROTEIN BINDING
Ref.: A PHOSPHORYLATION SWITCH ON RBBP5 REGULATES HISTONE METHYLATION. GENES DEV. V. 29 123 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GLU ARG GLU SEP GLU PHE ASP ILE GLU ASP B:347;
Valid;
Atoms found MORE than expected: % Diff = 1.043;
submit data
1283.19 n/a P(=O)...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4X8N 2.1 Å EC: 2.-.-.- CRYSTAL STRUCTURE OF ASH2L SPRY DOMAIN IN COMPLEX WITH PHOSP RBBP5 HOMO SAPIENS HISTONE MLL1 CHROMATIN EPIGENETICS PROTEIN BINDING
Ref.: A PHOSPHORYLATION SWITCH ON RBBP5 REGULATES HISTONE METHYLATION. GENES DEV. V. 29 123 2015
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 313 families.
1 4X8N - GLU ARG GLU SEP GLU PHE ASP ILE GLU ASP 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 277 families.
1 4X8N - GLU ARG GLU SEP GLU PHE ASP ILE GLU ASP 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 212 families.
1 4X8N - GLU ARG GLU SEP GLU PHE ASP ILE GLU ASP n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: GLU ARG GLU SEP GLU PHE ASP ILE GLU ASP; Similar ligands found: 90
No: Ligand ECFP6 Tc MDL keys Tc
1 GLU ARG GLU SEP GLU PHE ASP ILE GLU ASP 1 1
2 GLU ASP GLU ASP PHE GLU ILE LEU SEP LEU 0.638298 0.852459
3 GLU ASP GLU ASP PHE GLU ILE LEU SER LEU 0.613139 0.703125
4 ASP ALA GLU PHE ARG HIS ASP 0.604651 0.783333
5 ARG ARG ILE TYR ASP LEU ILE GLU LEU 0.569444 0.772727
6 GLU GLU ASN LEU LEU ASP PHE VAL ARG PHE 0.565517 0.742424
7 SER GLU ILE GLU PHE ALA ARG LEU 0.545455 0.809524
8 GLU THR VAL ARG PHE GLN SER ASP 0.527397 0.765625
9 SER SER ILE GLU PHE ALA ARG LEU 0.52381 0.825397
10 TYR GLU LEU ASP GLU LYS PHE ASP ARG LEU 0.52349 0.724638
11 ALA GLN ASP ILE TYR ARG ALA SER TYR 0.522876 0.764706
12 TYR HIS SEP VAL VAL ARG TYR ALA 0.509677 0.756757
13 ARG ARG ARG ARG TRP ARG GLU ARG GLN 0.5 0.691176
14 ILE ARG LYS ILE LEU PHE LEU ASP GLY ILE 0.5 0.78125
15 LYS MET ASP SEP PHE LEU ASP MET GLN LEU 0.490323 0.80597
16 ASP ALA GLU PHE ARG HIS ASP SER 0.489933 0.691176
17 GLU ILE ILE ASN PHE GLU LYS LEU 0.489655 0.6875
18 ARG ABA PHE ILE PHE ALA ASN ILE 0.482759 0.765625
19 ARG ARG LEU ILE PHE NH2 0.481481 0.754098
20 GLU GLU PHE GLY ARG ALA PHE SER PHE 0.48 0.738462
21 MET PHE SER ILE ASP ASN ILE LEU ALA 0.48 0.637681
22 GLY ASP GLU VAL LYS VAL PHE ARG 0.48 0.761905
23 PHE GLU ASP LEU ARG LEU LEU SER PHE 0.479452 0.784615
24 PHE GLU ASP LEU ARG VAL LEU SER PHE 0.477124 0.784615
25 PHE GLU ASP LEU ARG VAL SER SER PHE 0.477124 0.784615
26 GLU LEU ASN ARG LYS MET ILE TYR MET 0.472393 0.684932
27 GLU LEU LYS ARG LYS MET ILE TYR MET 0.471338 0.690141
28 GLU LEU LYS TPO GLU ARG TYR 0.470968 0.865672
29 ARG ILE PHE SER 0.470149 0.786885
30 SER LEU ARG PHE LEU TYR GLU GLY 0.469799 0.714286
31 VAL ASN ASP ILE PHE GLU ALA ILE 0.468966 0.625
32 ASP SEP TYR GLU VAL LEU ASP LEU 0.467532 0.757576
33 SER GLU LEU GLU ILE LYS ARG TYR 0.457516 0.764706
34 ARG ABA VAL ILE PHE ALA ASN ILE 0.453333 0.777778
35 SER SER LEU GLU ASN PHE ARG ALA TYR VAL 0.451807 0.728571
36 ASP PHE GLU GLU ILE 0.449612 0.666667
37 LEU ARG ASN GLN SER VAL PHE ASN PHE 0.444444 0.761194
38 GLN TYR PHE MET TPO GLU PTR VAL ALA 0.443787 0.712329
39 GLN PHE LYS ASP ASN VAL ILE LEU LEU 0.442308 0.676923
40 GLY ASN CYS PHE SER LYS ARG ARG ALA ALA 0.440789 0.753846
41 PHE ARG TYR LEU GLY 0.440559 0.681159
42 LEU PRO PHE ASP ARG THR THR ILE MET 0.438596 0.670886
43 SER ILE ILE ASN PHE GLU LYS LEU 0.437086 0.707692
44 LEU TYR LEU VAL CYS GLY GLU ARG GLY PHE 0.436364 0.661972
45 ALA THR ARG ASN PHE SER GLY 0.435374 0.753846
46 LYS ILE LEU HIS ARG LEU LEU GLN ASP SER 0.434524 0.728571
47 GLY ARG PHE ALA ALA ALA ILE ALA LYS 0.433333 0.790323
48 ILE GLN GLN SER ILE GLU ARG ILE 0.432624 0.790323
49 ASP ARG VAL TYR ILE HIS PRO PHE 0.43125 0.684932
50 PHE TYR ARG TYR GLY PHE VAL ALA ASN PHE 0.430657 0.626866
51 ARG PRO PRO ILE PHE ILE ARG ARG LEU 0.426829 0.684932
52 GLN ARG SER THR SEP THR 0.426573 0.857143
53 ARG GLN PHE GLY PRO ASP TRP ILE VAL ALA 0.424084 0.662338
54 ARG ABA GLN ILE PHE ALA ASN ILE 0.423841 0.693548
55 LEU PRO PHE GLU ARG ALA THR ILE MET 0.421348 0.658228
56 ARG GLN ALA SEP LEU SER ILE SER VAL 0.420382 0.888889
57 GLU GLN TYR LYS PHE TYR SER VAL 0.42 0.628571
58 ARG ASP ALA ALA 0.418033 0.716667
59 ALA VAL TYR ASP GLY ARG GLU HIS THR VAL 0.417647 0.666667
60 SER ILE ILE GLN PHE GLU HIS LEU 0.416667 0.647887
61 ALA ARG THR GLU LEU TYR ARG SER LEU 0.416667 0.776119
62 SER ARG ILE ARG ILE ARG GLY TYR VAL ARG 0.415584 0.779412
63 ARG ARG GLU VAL HIS THR TYR TYR 0.414634 0.666667
64 SER SER ARG LYS GLU TYR TYR ALA 0.413793 0.691176
65 ARG GLN PHE GLY PRO ASP PHE PRO THR ILE 0.413408 0.688312
66 ARG PHE MET ASP TYR TRP GLU GLY LEU 0.413408 0.607595
67 LEU ASP GLU GLU THR GLY GLU PHE LEU 0.413333 0.676923
68 ARG ARG LEU PRO ILE PHE SER ARG LEU 0.413174 0.716216
69 HIS LYS ILE LEU HIS ARG LEU LEU GLN ASP 0.413174 0.7
70 GLU LEU ARG ARG LYS MET MET TYR MET 0.412903 0.690141
71 ARG SEP PRO VAL PHE SER 0.412121 0.753425
72 LYS ILE LEU HIS ARG LEU LEU GLN ASP 0.412121 0.710145
73 TYR ALA GLY SEP TPO ASP GLU ASN 0.411043 0.73913
74 LYS GLN GLU PRO GLN GLU ILE ASP PHE 0.410714 0.633803
75 SER ARG LYS ILE ASP ASN LEU ASP 0.409091 0.757576
76 ASN TYR THR PRO GLY PRO GLY ILE ARG PHE 0.40884 0.6625
77 LEU GLU PHE GLN GLY 0.408759 0.66129
78 HIS LYS ILE LEU HIS ARG LEU LEU GLN GLU 0.408284 0.685714
79 ALA LYS PHE ARG HIS ASP 0.407895 0.681159
80 GLY VAL TYR ASP GLY ARG GLU HIS THR VAL 0.406977 0.666667
81 SER ILE ILE GLY PHE GLU LYS LEU 0.406452 0.692308
82 GLU LEU ARG SER ARG TYR TRP ALA ILE 0.405714 0.706667
83 ASP PHE GLU GLU ILE PRO GLY GLU PTR 0.405714 0.688312
84 TYR PHE SER SEP ASN 0.405594 0.666667
85 GLU THR PHE TYR VAL ASP GLY 0.405405 0.6
86 SER ARG TYR TRP ALA ILE ARG THR ARG 0.404624 0.702703
87 ASN ALA LEU LEU ARG TYR LEU LEU ASP 0.403974 0.720588
88 SER ILE TYR PHE TPO PRO GLU LEU TYR ASP 0.403315 0.675
89 ALA ARG LYS ILE ASP ASN LEU ASP 0.401316 0.738462
90 LEU TYR LEU VAL CYS GLY GLU ARG VAL 0.4 0.681159
Similar Ligands (3D)
Ligand no: 1; Ligand: GLU ARG GLU SEP GLU PHE ASP ILE GLU ASP; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4X8N; Ligand: GLU ARG GLU SEP GLU PHE ASP ILE GLU ASP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 4x8n.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback