Receptor
PDB id Resolution Class Description Source Keywords
2VNF 1.76 Å NON-ENZYME: OTHER MOLECULAR BASIS OF HISTONE H3K4ME3 RECOGNITION BY ING4 HOMO SAPIENS ACETYLATION ALTERNATIVE SPLICING ANTI-ONCOGENE CELL CYCLE COILED C NUCLEUS ZINC ZINC-FINGER ING4 PHD FINGER HISTONE 3
Ref.: MOLECULAR BASIS OF HISTONE H3K4ME3 RECOGNITION BY ING4 J.BIOL.CHEM. V. 283 15956 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ALA ARG THR M3L GLN THR ALA ARG LYS SER B:1;
D:1;
 Valid;
Valid;
 none;
none;
 Kd = 3 uM
732.905 n/a O=C(N...
DTT A:1245;
 Invalid;
 none;
 submit data
154.251 C4 H10 O2 S2 C([C@...
DTU C:1246;
 Invalid;
 none;
 submit data
154.251 C4 H10 O2 S2 C([C@...
NA A:300;
 Invalid;
 none;
 submit data
22.99 Na [Na+]
ZN A:1246;
A:1247;
C:1247;
C:1248;
 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
2VNF 1.76 Å NON-ENZYME: OTHER MOLECULAR BASIS OF HISTONE H3K4ME3 RECOGNITION BY ING4 HOMO SAPIENS ACETYLATION ALTERNATIVE SPLICING ANTI-ONCOGENE CELL CYCLE COILED C NUCLEUS ZINC ZINC-FINGER ING4 PHD FINGER HISTONE 3
Ref.: MOLECULAR BASIS OF HISTONE H3K4ME3 RECOGNITION BY ING4 J.BIOL.CHEM. V. 283 15956 2008
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 2VNF Kd = 3 uM ALA ARG THR M3L GLN THR ALA ARG LYS SER 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 1331 families.
1 2VNF Kd = 3 uM ALA ARG THR M3L GLN THR ALA ARG LYS SER 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 1144 families.
1 2VNF Kd = 3 uM ALA ARG THR M3L GLN THR ALA ARG LYS SER n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: ALA ARG THR M3L GLN THR ALA ARG LYS SER; Similar ligands found: 68
No: Ligand ECFP6 Tc MDL keys Tc
1 ALA ARG THR M3L GLN THR ALA ARG LYS SER 1 1
2 ALA ARG THR M3L GLN THR ALA 2MR LYS 0.852273 1
3 ALA ARG THR MLZ GLN THR ALA ARG LYS TYR 0.804348 0.885246
4 ALA ARG THR MLY GLN THR ALA ARG LYS 0.804348 0.95082
5 ALA ARG THR M3L GLN THR ALA ARG LYS 0.78022 0.983607
6 ALA ARG THR M3L GLN THR ALA ARG 0.72449 0.983871
7 ALA ARG THR ALY GLN THR ALA 0.697917 0.852459
8 ALA ARG THR MLY GLN THR ALA ARG LYS TYR 0.683673 0.967213
9 ALA ARG THR M3L GLN THR ALA ALA LYS ALA 0.679245 0.983871
10 ARG ARG ARG GLU THR GLN VAL 0.635417 0.806452
11 ALA ARG THR LYS GLN THR ALA ARG LYS 0.634615 0.819672
12 ALA DA2 THR M3L GLN THR ALA ARG ALA 0.626087 0.983871
13 ALA ARG THR LYS GLN THR ALA ARG 0.612245 0.803279
14 ALA ARG THR MLZ GLN THR ALA ARG LYS 0.611111 0.901639
15 ALA ARG M3L SER 0.608696 0.919355
16 ALA ARG THR M3L GLN THR ALA DA2 LYS 0.601626 1
17 ALA ARG THR MLY GLN 0.6 0.935484
18 ALA ARG THR MLY GLN THR ALA ARG MLY SER 0.594059 0.95082
19 ALA ARG THR MLY GLN THR ALA ARG LYS SER 0.587629 0.758065
20 ALA GLN THR ALA ARG ALY SER THR 0.576577 0.83871
21 GLN THR ALA ARG M3L SER 0.572727 0.983871
22 THR ARG ARG GLU THR GLN LEU 0.557692 0.822581
23 ALA ARG 9AT 0.552941 0.754098
24 GLN THR ALA ARG M3L SER THR GLY 0.538462 0.983871
25 ARG LEU GLN ARG ARG ARG GLU THR GLN VAL 0.536364 0.822581
26 ALA ARG THR ALA ALA THR ALA ARG LYS SER 0.535354 0.770492
27 ALA ALA LEU THR ARG ALA 0.509615 0.786885
28 LYS GLN THR ALA ARG M3L SER THR GLY 0.508929 0.983871
29 GLU ALA GLN THR ARG LEU 0.495575 0.790323
30 ALA MET ARG VAL 0.494845 0.725806
31 ALA ARG M3L SER THR GLY GLY ALY 0.491803 0.953125
32 ALA 2MR THR MLY GLN THR ALA ALA 0.491525 0.951613
33 ACE GLN THR ALA ARG PRK SER THR 0.487179 0.78125
34 ACE GLU ALA GLN THR ARG LEU 0.473684 0.806452
35 ACE GLN THR ALA ARG KCR SER THR 0.471074 0.793651
36 LYS ALA ALA ARG M3L SER ALA 0.46087 0.951613
37 PRO ALA THR ILE MET MET GLN ARG GLY ASN 0.46087 0.8125
38 ACE GLN THR ALA ARG BTK SER THR 0.457627 0.809524
39 ALA ARG THR GLU LEU TYR ARG SER LEU 0.453125 0.73913
40 SAC ARG GLY THR GLN THR GLU 0.452991 0.765625
41 PHE ALA GLY LEU ARG GLN ALA VAL THR GLN 0.452991 0.777778
42 GLU THR VAL ARG PHE GLN SER ASP 0.446154 0.727273
43 ALA ARG THR MLY GLN THR ALA ARG TYR 0.445312 0.867647
44 ACE ALA ARG THR LYS GLN 0.444444 0.786885
45 ALA ILE ARG SER 0.441176 0.698413
46 THR ILE MET MET GLN ARG GLY 0.439655 0.8
47 THR ALA ARG M3L SER THR 0.431373 0.919355
48 ALA THR ARG ASN PHE SER GLY 0.430894 0.716418
49 GLN ARG ALA THR LYS MET NH2 0.429752 0.854839
50 LYS GLN THR SER VAL 0.428571 0.650794
51 ILE GLN GLN SER ILE GLU ARG ILE 0.42735 0.75
52 ALA ARG LYS SEP THR GLY GLY LYS 0.421875 0.764706
53 ARG GLU ARG SER PRO THR ARG 0.421053 0.680556
54 GLN ARG SER THR SEP THR 0.420168 0.735294
55 GLU ARG THR ILE PRO ILE THR ARG GLU 0.417323 0.746479
56 ALA ASN SER ARG TRP ALY THR SER ILE ILE 0.416107 0.706667
57 ALA GLN ASP ILE TYR ARG ALA SER TYR 0.414286 0.680556
58 ALA ARG LYS ILE ASP ASN LEU ASP 0.412698 0.753846
59 ALA ARG ALA ALA ALA ALA ALA ALA ALA 0.412371 0.66129
60 ARG ARG ALA THR LYS MET NH2 0.411765 0.854839
61 ALA ASN SER ARG TRP GLN THR SER ILE ILE 0.410959 0.644737
62 ALA ASN SER ARG TRP GLN ASP THR ARG LEU 0.410959 0.68
63 ALA ARG TPO LYS 0.409091 0.731343
64 ASP PHE M3L THR ASP 0.40678 0.80303
65 ASN ARG LEU LEU LEU THR GLY 0.405405 0.793651
66 ALA ARG M3L SER CYS GLY GLY LYS 08P 0.402878 0.869565
67 LYS ARG ARG LYS SEP VAL 0.401786 0.720588
68 ALA ASN SER ARG TRP GLN VAL THR ARG VAL 0.40146 0.666667
Similar Ligands (3D)
Ligand no: 1; Ligand: ALA ARG THR M3L 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)
Pocket No.: 1; Query (leader) PDB : 2VNF; Ligand: ALA ARG THR M3L GLN THR ALA ARG LYS SER; 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: 2vnf.bio2) has 20 residues
No: Leader PDB Ligand Sequence Similarity
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