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 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
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 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 ARG THR M3L GLN THR ALA ALA LYS ALA; Similar ligands found: 99
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 0.828283 1
3 ALA ARG THR LYS GLN THR ALA ARG LYS SER 0.728155 0.806452
4 ALA ARG THR MLZ GLN THR ALA ARG LYS 0.722222 0.903226
5 ALA ARG THR LYS GLN THR ALA ARG LYS 0.721154 0.806452
6 ALA ARG THR LYS GLN THR ALA ARG 0.721154 0.806452
7 ALA ARG THR M3L GLN THR ALA DA2 LYS 0.710744 0.983871
8 ALA ARG THR M3L GLN THR ALA 0.708738 0.983871
9 ALA ARG THR M3L GLN THR ALA ARG LYS SER 0.708738 0.983871
10 ALA ARG THR M3L GLN THR ALA 2MR LYS 0.708738 0.983871
11 ALA ARG THR M3L GLN THR ALA ARG LYS 0.701923 0.983871
12 ALA DA2 THR M3L GLN THR ALA ARG ALA 0.683761 0.983871
13 ALA ARG THR MLY GLN THR ALA ARG LYS 0.642857 0.951613
14 ALA 2MR THR MLY GLN THR ALA ALA 0.62069 0.967742
15 GLN LEU ALA THR M3L ALA ALA ARG LYS SER 0.606557 0.983871
16 ALA ARG THR MLY GLN THR ALA ARG TYR 0.593496 0.882353
17 GLN THR ALA ARG M3L SER THR GLY 0.591667 0.968254
18 ALA ARG THR MLY GLN 0.588785 0.951613
19 ALA ARG THR MLY GLN THR ALA 0.585586 0.951613
20 ALA ARG THR MLY GLN THR ALA ARG LYS TYR 0.585586 0.951613
21 ALA ARG THR ALY GLN THR ALA 0.576577 0.83871
22 ALA ARG THR MLZ GLN THR ALA ARG LYS TYR 0.566372 0.870968
23 GLU ALA GLN THR ARG LEU 0.561404 0.806452
24 PHE ALA GLY LEU ARG GLN ALA VAL THR GLN 0.533898 0.793651
25 ALA ARG ALA ALA ALA ALA ALA ALA ALA 0.53125 0.677419
26 LYS GLN THR ALA ARG M3L SER THR GLY 0.529412 0.968254
27 ALA ARG THR MLY GLN THR ALA ARG MLY SER 0.522124 0.935484
28 LYS ALA ALA ARG M3L SER ALA 0.521368 0.936508
29 ALA GLN THR ALA ARG ALY SER THR 0.520325 0.825397
30 ARG LEU GLN ARG ARG ARG GLU THR GLN VAL 0.516949 0.83871
31 GLN ARG ALA THR LYS MET NH2 0.516949 0.84127
32 SER SER ARG LYS GLU TYR TYR ALA 0.512821 0.671429
33 ALA ARG M3L SER 0.509434 0.904762
34 THR ARG ARG GLU THR GLN LEU 0.504348 0.83871
35 ALA ARG THR MLY GLN THR ALA ARG LYS SER 0.5 0.746032
36 ALA ALA LEU THR ARG ALA 0.495575 0.774194
37 ACE GLN THR ALA ARG KCR SER THR 0.492308 0.796875
38 ALA ARG THR 4WQ GLN THR ALA ARG LYS SER 0.491071 0.84127
39 SAC ARG GLY THR GLN THR GLU 0.487805 0.78125
40 LEU GLY GLY ALA LYS GLN ARG GLY ASP VAL 0.487395 0.746032
41 ARG ARG ALA THR LYS MET NH2 0.478992 0.84127
42 ALA ARG M3L SER THR GLY GLY ALY 0.473282 0.96875
43 ARG ARG ARG GLU THR GLN VAL 0.473214 0.790323
44 THR ALA ARG M3L SER THR GLY GLY LYS ALA 0.466667 0.968254
45 ALA LYS ALA SER GLN ALA ALA 0.463636 0.650794
46 ALA PRO ALA LEU ARG VAL VAL LYS 0.460177 0.741935
47 ALA ARG TPO LYS 0.455357 0.746269
48 LYS PRO VAL LEU ARG THR ALA 0.455224 0.760563
49 ALA ARG THR GLU LEU TYR ARG SER LEU 0.451852 0.753623
50 ACE CSO ARG ALA THR LYS MET LEU 0.451128 0.826087
51 PRO ALA THR ILE MET MET GLN ARG GLY ASN 0.448 0.8
52 VAL LYS VAL VAL ALA LYS LYS TYR ARG ASN 0.444444 0.724638
53 ALA GLN PHE SER ALA SER ALA SER ARG 0.443548 0.727273
54 LYS ALA PRO ARG ALY GLN LEU ALA THR LYS 0.442177 0.802817
55 LYS ILE LEU HIS ARG LEU LEU GLN ASP 0.440298 0.638889
56 LEU GLU LYS ALA ARG GLY SER THR TYR 0.439189 0.757143
57 LYS ARG ARG LYS SEP VAL 0.438596 0.735294
58 ARG ASP ARG ALA ALA LYS LEU 0.4375 0.741935
59 ALA THR PRK ALA ALA ARG LYS SER 0.435897 0.671875
60 HIS GLY ALA ALA ARG ALA GLU VAL HIS LEU 0.434426 0.725806
61 LYS GLN THR SER VAL 0.433962 0.666667
62 ALA ARG LYS LYS GLN THR 66N 6L5 0.433735 0.616279
63 ARG ARG ALA ALA 0.432692 0.693548
64 ACE ALA ARG THR LYS GLN 0.431034 0.774194
65 GLY ARG PHE ALA ALA ALA ILE ALA LYS 0.427481 0.686567
66 LYS ALA ARG VAL LEU ALA GLU ALA MET SER 0.427481 0.761905
67 LYS ALA ARG VAL LEU ALA GLU ALA MET 0.427481 0.761905
68 GLU ALA THR GLN LEU MET ASN 0.427419 0.714286
69 THR GLY 2MR ALA ARG ALA ARG ALA 0.426087 0.746032
70 MET ABA LEU ARG MET THR ALA VAL MET 0.424242 0.828125
71 ACE ALA ARG THR GLU VAL TYR NH2 0.423077 0.720588
72 VAL ALA ARG SER 0.420561 0.714286
73 ALA ARG LYS SEP THR GLY GLY LYS 0.41791 0.753623
74 ALA ARG M3L SER CYS GLY GLY LYS 08P 0.416667 0.884058
75 ALA ASN SER ARG TRP GLN THR SER ILE ILE 0.414966 0.666667
76 MET CYS LEU ARG MET THR ALA VAL MET 0.414815 0.857143
77 ALA ASN SER ARG TRP GLN ASP THR ARG LEU 0.413793 0.712329
78 ALA THR VAL ARG THR TYR SER CYS 0.413534 0.7
79 ARG PRO LYS ARG ILE ALA 0.413534 0.680556
80 GLU ARG THR ILE PRO ILE THR ARG GLU 0.413043 0.763889
81 SER PRO LYS ARG ILE ALA 0.410448 0.69863
82 ILE GLN GLN SER ILE GLU ARG ILE 0.409449 0.765625
83 ALA ARG LYS ILE ASP ASN LEU ASP 0.409091 0.769231
84 SER ARG TYR TRP ALA ILE ARG THR ARG 0.409091 0.641026
85 ARG GLU ASP GLN GLU THR ALA VAL 0.408333 0.66129
86 LYS LEU VAL GLN LEU LEU THR THR THR 0.408333 0.725806
87 ARG VAL ALA GLN LEU GLU GLN VAL TYR ILE 0.405594 0.681159
88 ILE LYS ARG SER LYS LYS ASN SER LEU ALA 0.405405 0.730159
89 THR LYS ASN TYR LYS GLN THR SER VAL 0.404412 0.657143
90 ARG GLU ALA ALA 0.40367 0.693548
91 PHE GLU ALA LYS LYS LEU VAL 0.40367 0.612903
92 LYS SER LEU LEU GLN GLN LEU LEU THR GLU 0.403226 0.746032
93 MET CYS LEU ARG NLE THR ALA VAL MET 0.402878 0.84375
94 GLU THR VAL ARG PHE GLN SER ASP 0.402778 0.757576
95 TYR PRO LYS ARG ILE ALA 0.402778 0.649351
96 GLN ARG SER THR SEP THR 0.401575 0.75
97 THR PRO THR ARG ASP VAL ALA THR SER PRO 0.40146 0.75
98 LYS MET ASN THR GLN PHE THR ALA VAL 0.401408 0.731343
99 SER GLU ILE GLU PHE ALA ARG LEU 0.4 0.731343
Similar Binding Sites (Proteins are less than 50% similar to leader)
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