Receptor
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
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ALA ARG THR M3L GLN THR ALA ALA LYS ALA D:3001;
E:2001;
Valid;
Valid;
none;
none;
Kd = 4.15 uM
1090.32 n/a O=C([...
ZN A:2488;
A:2489;
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 ARG THR M3L GLN THR ALA ALA LYS ALA; Similar ligands found: 100
No: Ligand ECFP6 Tc MDL keys Tc
1 ALA ARG THR M3L GLN THR ALA ALA LYS ALA 1 1
2 ALA ARG THR M3L GLN THR ALA ARG 0.811881 1
3 ALA DA2 THR M3L GLN THR ALA ARG ALA 0.794643 1
4 ALA ARG THR LYS GLN THR ALA ARG LYS 0.719626 0.806452
5 ALA ARG THR M3L GLN THR ALA DA2 LYS 0.701613 0.983871
6 ALA ARG THR M3L GLN THR ALA 2MR LYS 0.685714 0.983871
7 ALA ARG THR M3L GLN THR ALA ARG LYS SER 0.679245 0.983871
8 ALA ARG THR M3L GLN THR ALA ARG LYS 0.64486 0.967742
9 ALA ARG THR MLZ GLN THR ALA ARG LYS 0.606838 0.887097
10 GLN THR ALA ARG M3L SER 0.598291 0.968254
11 ARG ARG ARG GLU THR GLN VAL 0.598131 0.822581
12 ALA ARG THR LYS GLN THR ALA ARG 0.592593 0.790323
13 ALA 2MR THR MLY GLN THR ALA ALA 0.583333 0.967742
14 ALA ARG THR ALY GLN THR ALA 0.580357 0.83871
15 ALA ARG THR MLY GLN 0.567568 0.951613
16 GLN THR ALA ARG M3L SER THR GLY 0.564516 0.968254
17 GLU ALA GLN THR ARG LEU 0.564103 0.806452
18 ALA ARG THR MLY GLN THR ALA ARG LYS TYR 0.556522 0.951613
19 ACE GLU ALA GLN THR ARG LEU 0.555556 0.822581
20 ALA ARG THR MLZ GLN THR ALA ARG LYS TYR 0.551724 0.870968
21 ALA ARG THR MLY GLN THR ALA ARG LYS 0.551724 0.935484
22 ALA ARG THR ALA ALA THR ALA ARG LYS SER 0.551402 0.758065
23 LYS ALA ALA ARG M3L SER ALA 0.542373 0.936508
24 ALA ARG ALA ALA ALA ALA ALA ALA ALA 0.540816 0.677419
25 ALA ARG THR MLY GLN THR ALA ARG TYR 0.530769 0.882353
26 THR ARG ARG GLU THR GLN LEU 0.530435 0.83871
27 ARG LEU GLN ARG ARG ARG GLU THR GLN VAL 0.525 0.83871
28 ALA GLN THR ALA ARG ALY SER THR 0.524194 0.825397
29 GLN ARG ALA THR LYS MET NH2 0.520325 0.84127
30 ACE GLN THR ALA ARG PRK SER THR 0.516129 0.769231
31 PHE ALA GLY LEU ARG GLN ALA VAL THR GLN 0.508197 0.793651
32 ARG ARG ALA THR LYS MET NH2 0.504132 0.84127
33 ACE GLN THR ALA ARG KCR SER THR 0.5 0.78125
34 ALA ARG M3L SER 0.5 0.904762
35 LYS GLN THR ALA ARG M3L SER THR GLY 0.5 0.968254
36 ALA ARG THR MLY GLN THR ALA ARG MLY SER 0.495726 0.935484
37 ACE ALA ARG THR LYS GLN 0.491228 0.774194
38 ACE GLN THR ALA ARG BTK SER THR 0.488 0.796875
39 ALA ALA LEU THR ARG ALA 0.486957 0.774194
40 ALA ARG THR MLY GLN THR ALA ARG LYS SER 0.486726 0.746032
41 ALA ARG M3L SER THR GLY GLY ALY 0.484848 0.96875
42 ALA ARG TPO LYS 0.482456 0.746269
43 ACE CSO ARG ALA THR LYS MET LEU 0.477273 0.826087
44 ALA ARG 9AT 0.474747 0.741935
45 ALA LYS ALA SER GLN ALA ALA 0.473214 0.650794
46 ALA ARG LYS LEU ASP 0.473214 0.774194
47 LYS PRO VAL LEU ARG THR ALA 0.467153 0.760563
48 LEU GLU LYS ALA ARG GLY SER THR TYR 0.463087 0.757143
49 LYS ARG ARG LYS SEP VAL 0.461538 0.735294
50 SER SER ARG LYS GLU TYR TYR ALA 0.460317 0.671429
51 ARG ARG ALA ALA 0.457143 0.693548
52 LYS ALA PRO ARG ALY GLN LEU ALA THR LYS 0.456376 0.802817
53 ARG ASP ARG ALA ALA LYS LEU 0.452174 0.741935
54 VAL LYS VAL VAL ALA LYS LYS TYR ARG ASN 0.449612 0.724638
55 ALA ARG THR GLU LEU TYR ARG SER LEU 0.449275 0.753623
56 ALA THR ALY ALA ALA ARG ALY SER ALA PRO 0.449275 0.75
57 ALA GLN PHE SER ALA SER ALA SER ARG 0.448819 0.727273
58 ALA ARG LYS LYS GLN THR 66N 6L5 0.443114 0.616279
59 ALA GLN ASP ILE TYR ARG ALA SER TYR 0.442177 0.694444
60 LEU GLY GLY ALA LYS GLN ARG GLY ASP VAL 0.440945 0.746032
61 SAC ARG GLY THR GLN THR GLU 0.4375 0.78125
62 ARG PRO LYS ARG ILE ALA 0.437037 0.680556
63 ILE GLN GLN SER ILE GLU ARG ILE 0.436508 0.765625
64 ALA ARG THR LYS GLN THR ALA ARG LYS SER 0.436364 0.677419
65 PHQ GLN THR ALA ARG LYS NH2 FOA 0.435374 0.689189
66 SER PRO LYS ARG ILE ALA 0.435115 0.684932
67 ALA THR PRK ALA ALA ARG LYS SER 0.433333 0.6875
68 ALA ARG LYS ILE ASP ASN LEU ASP 0.432836 0.769231
69 LYS ALA ARG VAL LEU ALA GLU ALA MET SER 0.432836 0.761905
70 5JP PRO LYS ARG ILE ALA 0.432836 0.712329
71 HIS GLY ALA ALA ARG ALA GLU VAL HIS LEU 0.432 0.725806
72 ALA ARG M3L SER CYS GLY GLY LYS 08P 0.431507 0.884058
73 VAL ALA ARG SER 0.431193 0.714286
74 ALA ARG LYS SEP THR GLY GLY LYS 0.430657 0.753623
75 ARG GLU ALA ALA 0.427273 0.693548
76 GLY ARG PHE ALA ALA ALA ILE ALA LYS 0.426471 0.686567
77 MET ABA LEU ARG MET THR ALA VAL MET 0.426471 0.828125
78 LYS ARG ARG ARG LYS SEP CYS GLN ALA NH2 0.423077 0.724638
79 LYS LEU VAL GLN LEU LEU THR THR THR 0.418033 0.741935
80 ACE ALA ARG THR GLU VAL TYR NH2 0.41791 0.720588
81 GLU ALA THR GLN LEU MET ASN 0.417323 0.714286
82 MET CYS LEU ARG MET THR ALA VAL MET 0.417266 0.857143
83 THR ILE MET MET GLN ARG GLY 0.414062 0.815385
84 THR LYS THR ALA THR ILE ASN ALA SER 0.414062 0.692308
85 ARG VAL ALA GLN LEU GLU GLN VAL TYR ILE 0.413793 0.681159
86 LYS GLN THR SER VAL 0.412844 0.666667
87 TYR PRO LYS ARG ILE ALA 0.410959 0.649351
88 ALA ASN SER ARG TRP GLN THR SER ILE ILE 0.410256 0.657895
89 MET CYS LEU ARG NLE THR ALA VAL MET 0.408451 0.84375
90 GLU LEU LYS TPO GLU ARG TYR 0.408163 0.739726
91 GLN ARG SER THR SEP THR 0.407692 0.75
92 LYS ARG LYS 0.407407 0.677419
93 LYS MET ASN THR GLN PHE THR ALA VAL 0.406897 0.746269
94 VAL LEU ARG ASP ASP LEU LEU GLU ALA 0.406504 0.746032
95 SER GLU LEU GLU ILE LYS ARG TYR 0.402778 0.742857
96 ALA ARG MLZ SER ALA PRO ALA THR 0.402778 0.805556
97 GLU THR VAL ARG PHE GLN SER ASP 0.402778 0.742424
98 ALA ASN SER ARG TRP GLN VAL THR ARG VAL 0.401361 0.68
99 ALA ASN SER ARG TRP GLN ASP THR ARG LEU 0.401274 0.693333
100 THR PHE LYS LYS THR ASN 0.4 0.681818
Similar Ligands (3D)
Ligand no: 1; Ligand: ALA ARG THR M3L GLN THR ALA ALA LYS 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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