Receptor
PDB id Resolution Class Description Source Keywords
2V88 2 Å NON-ENZYME: TRANSCRIPT_TRANSLATE CRYSTAL STRUCTURE OF RAG2-PHD FINGER IN COMPLEX WITH H3R2ME2 PEPTIDE MUS MUSCULUS V(D)J RECOMBINATION COVALENT MODIFICATIONS RAG HISTONE NNUCLEASE HYDROLASE PHD FINGER DNA-BINDING RECOMBINASE ENDONUCLEASE DIMETHYL LYSINE DNA RECOMBINATION PROTEIN BSYMMETRIC DIMETHYLATED ARGININE
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 2MR THR MLY GLN THR ALA ALA D:1;
F:1;
 Valid;
Valid;
 none;
none;
 Kd = 82.1 uM
903.073 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 2MR THR MLY GLN THR ALA ALA; Similar ligands found: 34
No: Ligand ECFP6 Tc MDL keys Tc
1 ALA 2MR THR MLY GLN THR ALA ALA 1 1
2 ALA ARG THR MLY GLN 0.622642 0.983333
3 ALA ARG THR MLY GLN THR ALA ARG LYS 0.618182 0.966667
4 ALA ARG THR MLY GLN THR ALA ARG LYS TYR 0.609091 0.983333
5 ALA ARG THR M3L GLN THR ALA ALA LYS ALA 0.583333 0.967742
6 ALA ARG THR M3L GLN THR ALA ARG 0.573913 0.967742
7 ALA DA2 THR M3L GLN THR ALA ARG ALA 0.566929 0.967742
8 ALA ARG THR MLY GLN THR ALA ARG TYR 0.563492 0.909091
9 ALA ARG THR MLY GLN THR ALA ARG MLY SER 0.544643 0.966667
10 ALA ARG THR LYS GLN THR ALA ARG LYS 0.542373 0.833333
11 ALA ARG THR MLZ GLN THR ALA ARG LYS 0.53719 0.916667
12 ARG ARG ARG GLU THR GLN VAL 0.508929 0.85
13 ALA ARG THR MLZ GLN THR ALA ARG LYS TYR 0.495798 0.9
14 ALA ARG THR M3L GLN THR ALA ARG LYS SER 0.491525 0.951613
15 ALA ARG THR ALY GLN THR ALA 0.483051 0.866667
16 ALA ARG THR M3L GLN THR ALA 2MR LYS 0.483051 0.951613
17 ALA ARG THR M3L GLN THR ALA DA2 LYS 0.471831 0.951613
18 GLU ALA GLN THR ARG LEU 0.459677 0.833333
19 ALA ARG THR ALA ALA THR ALA ARG LYS SER 0.451327 0.783333
20 ALA ARG THR M3L GLN THR ALA ARG LYS 0.45 0.935484
21 THR ARG ARG GLU THR GLN LEU 0.45 0.866667
22 ARG LEU GLN ARG ARG ARG GLU THR GLN VAL 0.448 0.866667
23 ALA ARG THR LYS GLN THR ALA ARG 0.440678 0.816667
24 ACE GLU ALA GLN THR ARG LEU 0.44 0.85
25 ALA ARG ALA ALA ALA ALA ALA ALA ALA 0.432692 0.7
26 ACE GLN THR ALA ARG PRK SER THR 0.430769 0.793651
27 ALA GLN THR ALA ARG ALY SER THR 0.427481 0.852459
28 PHE ALA GLY LEU ARG GLN ALA VAL THR GLN 0.421875 0.819672
29 LYS GLN THR SER VAL 0.420561 0.688525
30 ALA ARG THR MLY GLN THR ALA ARG LYS SER 0.418803 0.770492
31 ACE GLN THR ALA ARG KCR SER THR 0.41791 0.806452
32 ALA ARG MLY SER THR GLY GLY ALY 0.413043 0.967742
33 GLU ALA THR GLN LEU MET ASN 0.401575 0.737705
34 GLN THR ALA ARG M3L SER 0.401515 0.936508
Similar Ligands (3D)
Ligand no: 1; Ligand: ALA 2MR THR MLY GLN THR ALA 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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