Receptor
PDB id Resolution Class Description Source Keywords
2V86 2.05 Å NON-ENZYME: TRANSCRIPT_TRANSLATE CRYSTAL STRUCTURE OF RAG2-PHD FINGER IN COMPLEX WITH H3R2ME2 PEPTIDE MUS MUSCULUS V(D)J RECOMBINATION COVALENT MODIFICATIONS RAG2 HISTONE NUCLEASE HYDROLASE PHD FINGER DNA-BINDING RECOMBINASE ENDONUCLEASE TRIMETHYL LYSINE DIMETHYL ARGININE DNA RECOMBINATION PROTEIN BINDING
Ref.: THE PLANT HOMEODOMAIN FINGER OF RAG2 RECOGNIZES HIS METHYLATED AT BOTH LYSINE-4 AND ARGININE-2. PROC.NATL.ACAD.SCI.USA V. 104 18993 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ALA DA2 THR M3L GLN THR ALA ARG ALA D:1;
E:1;
 Valid;
Valid;
 none;
none;
 Kd = 34.6 uM
1074.3 n/a O=C([...
ZN A:1488;
A:1489;
B:1488;
B:1489;
 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
2V89 1.1 Å NON-ENZYME: TRANSCRIPT_TRANSLATE CRYSTAL STRUCTURE OF RAG2-PHD FINGER IN COMPLEX WITH H3K4ME3 AT 1.1A RESOLUTION MUS MUSCULUS V(D)J RECOMBINATION COVALENT MODIFICATIONS RAG HISTONE NNUCLEASE HYDROLASE PHD FINGER DNA-BINDING RECOMBINASE ENDONUCLEASE TRIMETHYL LYSINE DNA RECOMBINATION PROTEIN
Ref.: RAG2 PHD FINGER COUPLES HISTONE H3 LYSINE 4 TRIMETH WITH V(D)J RECOMBINATION. NATURE V. 450 1106 2007
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 308 families.
1 2V88 Kd = 82.1 uM ALA 2MR THR MLY GLN THR ALA ALA n/a n/a
2 2V86 Kd = 34.6 uM ALA DA2 THR M3L GLN THR ALA ARG ALA n/a n/a
3 2V83 Kd = 33.8 uM ALA ARG THR M3L GLN THR ALA ARG LYS n/a n/a
4 2V89 Kd = 4.15 uM ALA ARG THR M3L GLN THR ALA ALA LYS ALA n/a n/a
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 266 families.
1 2V88 Kd = 82.1 uM ALA 2MR THR MLY GLN THR ALA ALA n/a n/a
2 2V86 Kd = 34.6 uM ALA DA2 THR M3L GLN THR ALA ARG ALA n/a n/a
3 2V83 Kd = 33.8 uM ALA ARG THR M3L GLN THR ALA ARG LYS n/a n/a
4 2V89 Kd = 4.15 uM ALA ARG THR M3L GLN THR ALA ALA LYS ALA n/a n/a
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 220 families.
1 2V88 Kd = 82.1 uM ALA 2MR THR MLY GLN THR ALA ALA n/a n/a
2 2V86 Kd = 34.6 uM ALA DA2 THR M3L GLN THR ALA ARG ALA n/a n/a
3 2V83 Kd = 33.8 uM ALA ARG THR M3L GLN THR ALA ARG LYS n/a n/a
4 2V89 Kd = 4.15 uM ALA ARG THR M3L GLN THR ALA ALA LYS ALA n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: ALA DA2 THR M3L GLN THR ALA ARG ALA; Similar ligands found: 58
No: Ligand ECFP6 Tc MDL keys Tc
1 ALA DA2 THR M3L GLN THR ALA ARG ALA 1 1
2 ALA ARG THR M3L GLN THR ALA DA2 LYS 0.803279 0.983871
3 ALA ARG THR M3L GLN THR ALA ALA LYS ALA 0.794643 1
4 ALA ARG THR M3L GLN THR ALA ARG 0.745455 1
5 ALA ARG THR M3L GLN THR ALA 2MR LYS 0.631579 0.983871
6 ALA ARG THR M3L GLN THR ALA ARG LYS SER 0.626087 0.983871
7 ALA ARG THR M3L GLN THR ALA ARG LYS 0.594828 0.967742
8 ALA ARG THR LYS GLN THR ALA ARG LYS 0.581967 0.806452
9 GLN THR ALA ARG M3L SER 0.580645 0.968254
10 ALA 2MR THR MLY GLN THR ALA ALA 0.566929 0.967742
11 ALA ARG THR MLZ GLN THR ALA ARG LYS 0.563492 0.887097
12 GLN THR ALA ARG M3L SER THR GLY 0.561538 0.968254
13 ARG ARG ARG GLU THR GLN VAL 0.551724 0.822581
14 GLU ALA GLN THR ARG LEU 0.536 0.806452
15 ALA ARG THR MLY GLN 0.525 0.951613
16 ALA ARG THR ALY GLN THR ALA 0.52459 0.83871
17 ALA ARG THR MLY GLN THR ALA ARG LYS TYR 0.516129 0.951613
18 ACE GLU ALA GLN THR ARG LEU 0.515873 0.822581
19 ALA ARG THR MLY GLN THR ALA ARG LYS 0.512 0.935484
20 ALA ARG THR MLZ GLN THR ALA ARG LYS TYR 0.512 0.870968
21 ALA GLN THR ALA ARG ALY SER THR 0.5 0.825397
22 ALA ARG THR MLY GLN THR ALA ARG TYR 0.496403 0.882353
23 ALA ARG THR ALA ALA THR ALA ARG LYS SER 0.495726 0.758065
24 ACE GLN THR ALA ARG PRK SER THR 0.492424 0.769231
25 THR ARG ARG GLU THR GLN LEU 0.491935 0.83871
26 LYS GLN THR ALA ARG M3L SER THR GLY 0.488372 0.968254
27 ARG LEU GLN ARG ARG ARG GLU THR GLN VAL 0.488372 0.83871
28 ALA ARG ALA ALA ALA ALA ALA ALA ALA 0.481481 0.677419
29 ACE GLN THR ALA ARG KCR SER THR 0.477941 0.78125
30 ALA ARG M3L SER THR GLY GLY ALY 0.47482 0.96875
31 ALA ARG M3L SER 0.474138 0.904762
32 PHE ALA GLY LEU ARG GLN ALA VAL THR GLN 0.473282 0.793651
33 ALA ARG THR LYS GLN THR ALA ARG 0.471545 0.790323
34 ALA ARG THR MLY GLN THR ALA ARG MLY SER 0.460317 0.935484
35 LYS ALA ALA ARG M3L SER ALA 0.458015 0.936508
36 ACE GLN THR ALA ARG BTK SER THR 0.455224 0.796875
37 ALA ALA LEU THR ARG ALA 0.451613 0.774194
38 ALA ARG THR MLY GLN THR ALA ARG LYS SER 0.45082 0.746032
39 ALA ARG THR GLU LEU TYR ARG SER LEU 0.441379 0.753623
40 ALA GLN PHE SER ALA SER ALA SER ARG 0.440298 0.727273
41 ILE GLN GLN SER ILE GLU ARG ILE 0.439394 0.765625
42 ALA ARG 9AT 0.435185 0.741935
43 ALA GLN ASP ILE TYR ARG ALA SER TYR 0.435065 0.694444
44 GLN ARG ALA THR LYS MET NH2 0.430657 0.84127
45 SAC ARG GLY THR GLN THR GLU 0.42963 0.78125
46 ALA THR ALY ALA ALA ARG ALY SER ALA PRO 0.421769 0.75
47 ARG ARG ALA ALA 0.421053 0.693548
48 ALA ASN SER ARG TRP GLN THR SER ILE ILE 0.41358 0.657895
49 LYS ALA PRO ARG ALY GLN LEU ALA THR LYS 0.4125 0.802817
50 GLN ARG SER THR SEP THR 0.411765 0.75
51 VAL ALA ARG SER 0.410256 0.714286
52 PHQ GLN THR ALA ARG LYS NH2 FOA 0.410256 0.689189
53 LEU GLU LYS ALA ARG GLY SER THR TYR 0.409938 0.757143
54 LYS ALA ARG VAL LEU ALA GLU ALA MET SER 0.405594 0.761905
55 LYS GLN THR SER VAL 0.405172 0.666667
56 ARG ARG ALA THR LYS MET NH2 0.404412 0.84127
57 GLU ALA THR GLN LEU MET ASN 0.4 0.714286
58 MET ABA LEU ARG MET THR ALA VAL MET 0.4 0.828125
Similar Ligands (3D)
Ligand no: 1; Ligand: ALA DA2 THR M3L GLN THR ALA ARG 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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