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 H3R2ME2AK4ME3 PEPTIDE MUS MUSCULUS V(D)J RECOMBINATION COVALENT MODIFICATIONS RAG2 HISTONE NUCLEUS NUCLEASE HYDROLASE PHD FINGER DNA-BINDING RECOMBINASE ENDONUCLEASE TRIMETHYL LYSINE DIMETHYL ARGININE DNA RECOMBINATION PROTEIN BINDING
Ref.: THE PLANT HOMEODOMAIN FINGER OF RAG2 RECOGNIZES HISTONE H3 METHYLATED AT BOTH LYSINE-4 AND ARGININE-2. PROC.NAT.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
1004.25 n/a O=C(N...
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 PEPTIDE AT 1.1A RESOLUTION MUS MUSCULUS V(D)J RECOMBINATION COVALENT MODIFICATIONS RAG HISTONE NUCLEUS NUCLEASE HYDROLASE PHD FINGER DNA-BINDING RECOMBINASE ENDONUCLEASE TRIMETHYL LYSINE DNA RECOMBINATION PROTEIN BINDING
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 257 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 222 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 185 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
Ligand no: 1; Ligand: ALA DA2 THR M3L GLN THR ALA ARG ALA; Similar ligands found: 45
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 0.8 1
3 ALA ARG THR M3L GLN THR ALA ARG 0.711712 0.983871
4 ALA ARG THR M3L GLN THR ALA ALA LYS ALA 0.683761 0.983871
5 ALA ARG THR M3L GLN THR ALA 2MR LYS 0.622807 1
6 ALA ARG THR M3L GLN THR ALA ARG LYS SER 0.622807 1
7 ALA ARG THR M3L GLN THR ALA 0.622807 1
8 ALA ARG THR M3L GLN THR ALA ARG LYS 0.617391 1
9 ALA ARG THR LYS GLN THR ALA ARG LYS SER 0.584746 0.819672
10 ALA ARG THR LYS GLN THR ALA ARG 0.579832 0.819672
11 ALA ARG THR LYS GLN THR ALA ARG LYS 0.579832 0.819672
12 ALA ARG THR MLZ GLN THR ALA ARG LYS 0.572581 0.887097
13 ALA ARG THR MLY GLN THR ALA ARG LYS 0.556452 0.967213
14 GLN THR ALA ARG M3L SER THR GLY 0.538462 0.983871
15 ALA 2MR THR MLY GLN THR ALA ALA 0.515385 0.951613
16 ALA ARG THR MLZ GLN THR ALA ARG LYS TYR 0.512195 0.885246
17 ALA ARG THR ALY GLN THR ALA 0.508197 0.852459
18 ALA ARG THR MLY GLN THR ALA 0.504065 0.967213
19 ALA ARG THR MLY GLN THR ALA ARG LYS TYR 0.504065 0.967213
20 ALA ARG THR MLY GLN THR ALA ARG TYR 0.49635 0.867647
21 LYS GLN THR ALA ARG M3L SER THR GLY 0.492188 0.983871
22 ALA ARG THR MLY GLN 0.491667 0.935484
23 GLN LEU ALA THR M3L ALA ALA ARG LYS SER 0.47482 1
24 ALA GLN THR ALA ARG ALY SER THR 0.473684 0.83871
25 GLU ALA GLN THR ARG LEU 0.472441 0.790323
26 GLN ARG ALA THR LYS MET NH2 0.457364 0.854839
27 ARG LEU GLN ARG ARG ARG GLU THR GLN VAL 0.457364 0.822581
28 ALA ARG M3L SER 0.456897 0.919355
29 PHE ALA GLY LEU ARG GLN ALA VAL THR GLN 0.450382 0.777778
30 ACE GLN THR ALA ARG KCR SER THR 0.45 0.809524
31 ALA ARG THR MLY GLN THR ALA ARG MLY SER 0.448 0.95082
32 THR ALA ARG M3L SER THR GLY GLY LYS ALA 0.447552 0.983871
33 THR ARG ARG GLU THR GLN LEU 0.444444 0.822581
34 ALA ARG M3L SER THR GLY GLY ALY 0.442857 0.953125
35 ALA ARG THR MLY GLN THR ALA ARG LYS SER 0.438017 0.758065
36 ALA ALA LEU THR ARG ALA 0.435484 0.786885
37 ALA ARG THR 4WQ GLN THR ALA ARG LYS SER 0.430894 0.854839
38 LYS ALA ALA ARG M3L SER ALA 0.427481 0.951613
39 ARG ARG ARG GLU THR GLN VAL 0.42623 0.774194
40 ALA ARG THR GLU LEU TYR ARG SER LEU 0.423611 0.73913
41 ARG ARG ALA THR LYS MET NH2 0.423077 0.854839
42 ACE ALA ARG THR GLU VAL TYR NH2 0.416058 0.705882
43 ALA GLN PHE SER ALA SER ALA SER ARG 0.413534 0.712121
44 SAC ARG GLY THR GLN THR GLU 0.40146 0.765625
45 LYS GLN THR SER VAL 0.4 0.650794
Similar Binding Sites (Proteins are less than 50% similar to leader)
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