Receptor
PDB id Resolution Class Description Source Keywords
3NY3 1.6 Å EC: 6.3.2.- STRUCTURE OF THE UBR-BOX OF UBR2 IN COMPLEX WITH N-DEGRON HOMO SAPIENS ZINC FINGER-LIKE UBIQUITIN LIGASE PROTEIN BINDING LYGASE
Ref.: STRUCTURAL BASIS OF SUBSTRATE RECOGNITION AND SPECI THE N-END RULE PATHWAY. NAT.STRUCT.MOL.BIOL. V. 17 1182 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ARG ILE PHE SER B:1;
Valid;
none;
Ka = 51900 M^-1
507.636 n/a O=C(N...
ZN A:1;
A:2;
A:3;
Part of Protein;
Part of Protein;
Part of Protein;
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
5TDB 1.1 Å EC: 6.3.2.- CRYSTAL STRUCTURE OF THE HUMAN UBR-BOX DOMAIN FROM UBR2 IN C WITH ASYMMETRICALLY DOUBLE METHYLATED ARGININE PEPTIDE HOMO SAPIENS UBR-BOX N-END RULE ASYMMETRICALLY DOUBLE METHYLATED ARGINILIGASE
Ref.: BOUND WATERS MEDIATE BINDING OF DIVERSE SUBSTRATES UBIQUITIN LIGASE. STRUCTURE V. 25 719 2017
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 41 families.
1 5TDB Kd = 1.45 uM DA2 ILE PHE SER n/a n/a
2 3NY3 Ka = 51900 M^-1 ARG ILE PHE SER n/a n/a
3 5TDA - ARG LEU TRP SER n/a n/a
4 5TDD Kd = 34 uM HIS ILE PHE SER n/a n/a
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 27 families.
1 5TDC Kd = 12.88 uM NMM ILE PHE SER n/a n/a
2 5TDB Kd = 1.45 uM DA2 ILE PHE SER n/a n/a
3 3NY3 Ka = 51900 M^-1 ARG ILE PHE SER n/a n/a
4 5TDA - ARG LEU TRP SER n/a n/a
5 5TDD Kd = 34 uM HIS ILE PHE SER n/a n/a
50% Homology Family (12)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 12 families.
1 5TDC Kd = 12.88 uM NMM ILE PHE SER n/a n/a
2 3NIL - ARG ASP ALA ALA n/a n/a
3 3NIJ - HIS ILE ALA ALA n/a n/a
4 3NIH - ARG ILE ALA ALA ALA n/a n/a
5 3NII - LYS ILE ALA ALA n/a n/a
6 3NIM Kd = 17.7 uM ARG ARG ALA ALA n/a n/a
7 3NIK Kd = 358.8 uM ARG GLU ALA ALA n/a n/a
8 3NIN - ARG LEU GLY GLU SER n/a n/a
9 5TDB Kd = 1.45 uM DA2 ILE PHE SER n/a n/a
10 3NY3 Ka = 51900 M^-1 ARG ILE PHE SER n/a n/a
11 5TDA - ARG LEU TRP SER n/a n/a
12 5TDD Kd = 34 uM HIS ILE PHE SER n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: ARG ILE PHE SER; Similar ligands found: 80
No: Ligand ECFP6 Tc MDL keys Tc
1 ARG ILE PHE SER 1 1
2 ALA ILE ARG SER 0.611111 0.938776
3 NMM ILE PHE SER 0.595745 0.882353
4 VAL ALA PHE ARG SER 0.594059 0.94
5 ARG ARG LEU ILE PHE NH2 0.582524 0.882353
6 ARG SEP PRO VAL PHE SER 0.568 0.671429
7 GLU THR VAL ARG PHE GLN SER ASP 0.563025 0.854545
8 ARG ABA PHE ILE PHE ALA ASN ILE 0.561404 0.821429
9 ARG ABA VAL ILE PHE ALA ASN ILE 0.547009 0.836364
10 ARG ILE ALA ALA ALA 0.546512 0.836735
11 ALA PHE THR SER 0.532609 0.711538
12 PHE TYR ARG TYR GLY PHE VAL ALA ASN PHE 0.514286 0.781818
13 SER GLU ILE GLU PHE ALA ARG LEU 0.508197 0.907407
14 ARG ARG LEU PRO ILE PHE SER ARG LEU 0.496241 0.731343
15 SER SER ILE GLU PHE ALA ARG LEU 0.496 0.890909
16 HIS ILE PHE SER 0.495238 0.603448
17 ILE MET ILE SER PHE 0.490566 0.745455
18 ALA TYR ARG 0.484848 0.830189
19 ALA GLN ASP ILE TYR ARG ALA SER TYR 0.484848 0.816667
20 ARG ILE PRO SER TYR ARG TYR ARG TYR 0.476562 0.690141
21 ALA THR ARG ASN PHE SER GLY 0.474576 0.839286
22 GLY ARG PHE ALA ALA ALA ILE ALA LYS 0.471074 0.851852
23 GLU ARG GLU SEP GLU PHE ASP ILE GLU ASP 0.470149 0.786885
24 LYS PHE LYS 0.463158 0.666667
25 THR PHE ALY SER ILE MET LYS 0.461538 0.716667
26 ARG PRO PRO ILE PHE ILE ARG ARG LEU 0.459259 0.69697
27 LEU SER PRO ASP SER PHE LEU ASN ASP 0.457447 0.711538
28 LYS ILE LEU HIS ARG LEU LEU GLN ASP SER 0.457143 0.774194
29 GLY ILE LEU GLY PHE VAL PHE THR LEU 0.45082 0.701754
30 PHQ ILE ALA ARG SER 0.45 0.680556
31 ALA ARG M3L SER 0.445545 0.725806
32 GLY ASP GLU VAL LYS VAL PHE ARG 0.445312 0.785714
33 ASP ARG VAL TYR ILE HIS PRO PHE 0.443609 0.723077
34 ARG ARG ILE TYR ASP LEU ILE GLU LEU 0.442748 0.79661
35 ASP ALA GLU PHE ARG HIS ASP 0.440678 0.846154
36 ILE ARG LYS ILE LEU PHE LEU ASP GLY ILE 0.437956 0.807018
37 LEU ARG ASN GLN SER VAL PHE ASN PHE 0.4375 0.813559
38 ALA GLN PHE SER ALA SER ALA SER ARG 0.435897 0.87037
39 ARG ILE MET GLU NH2 0.435185 0.781818
40 ASP PHE SER ILE 0.431373 0.722222
41 ASN ARG LEU ILE LEU THR GLY 0.431193 0.777778
42 TYR SER THR CYS TYR PHE ILE MET 0.430894 0.645161
43 ARG GLY PHE ALA LEU M3L SER THR HIS GLY 0.42953 0.64
44 LYS VAL ILE THR PHE ILE ASP LEU 0.427419 0.736842
45 SER ARG ILE ARG ILE ARG GLY TYR VAL ARG 0.425197 0.803279
46 GLN THR ALA ARG M3L SER 0.425 0.681818
47 PHE ARG SER LYS GLY GLU GLU LEU PHE THR 0.424779 0.818182
48 ALA PHE ARG ILE PRO LEU THR ARG 0.42446 0.705882
49 ARG TYR GLY PHE VAL ALA ASN PHE 0.424242 0.725806
50 ASN ALA ARG SER ALA SEP PHE SER GLN GLY 0.423729 0.779661
51 ASP ALA GLU PHE ARG HIS ASP SER 0.423077 0.704918
52 ASP SER GLY PHE SER PHE GLY SER LYS 0.42268 0.636364
53 SER LEU ARG PHE LEU TYR GLU GLY 0.421875 0.786885
54 ARG THR PHE SER PRO THR TYR GLY LEU 0.42069 0.657534
55 DPN PRO DAR ILE NH2 0.420168 0.737705
56 PHE ARG TYR LEU GLY 0.420168 0.779661
57 ARG GLY PRO GLY ARG ALA PHE VAL THR ILE 0.42 0.705882
58 GLU ASP GLU ASP PHE GLU ILE LEU SER LEU 0.415385 0.75
59 SER LEU PHE ASN THR ILE ALA VAL LEU 0.415385 0.714286
60 ARG GLY ASP ILE ASN ASN ASN VAL 0.415254 0.741379
61 ARG ABA GLN ILE PHE ALA ASN ILE 0.412698 0.740741
62 MET PHE SER ILE ASP ASN ILE LEU ALA 0.412214 0.672131
63 PHQ LEU VAL ARG TYR 0.41129 0.783333
64 ARG VAL ALA GLN LEU GLU GLN VAL TYR ILE 0.410448 0.839286
65 LYS ILE LEU HIS ARG LEU LEU GLN ASP 0.410072 0.725806
66 ARG PRO GLY ASN PHE LEU GLN ASN ARG PRO 0.409449 0.8
67 ARG HIS LYS ALY LEU MET PHE LYS 0.407143 0.676923
68 SER ILE ILE ASN PHE GLU LYS LEU 0.40625 0.754386
69 ALA ILE PHE GLN SER SER MET THR LYS 0.40458 0.704918
70 ALA PHE THR 0.404255 0.68
71 ARG ALA ARG 0.404255 0.76
72 ALA ILE LEU HIS ARG LEU LEU GLN 0.403101 0.745763
73 ILE LEU ALA LYS PHE LEU HIS ARG LEU 0.402878 0.75
74 LEU PRO PHE ASP ARG THR THR ILE MET 0.402685 0.657534
75 GLU GLU PHE GLY ARG ALA PHE SER PHE 0.401515 0.821429
76 ARG ARG PHE AIB ALA MET LEU ALA 0.401515 0.793103
77 ALA ASN SER ARG PHE PRO THR SER ILE ILE 0.401361 0.720588
78 GLY ASN CYS PHE SER LYS ARG ARG ALA ALA 0.4 0.839286
79 ARG ARG GLY ILE NH2 0.4 0.807692
80 ALA VAL GLY ILE GLY ALA VAL PHE LEU 0.4 0.711538
Similar Ligands (3D)
Ligand no: 1; Ligand: ARG ILE PHE SER; 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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