Receptor
PDB id Resolution Class Description Source Keywords
3NY3 1.6 Å EC: 6.3.2.19 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;
Kd = 19 uM
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: 6.3.2.19 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 6 families.
1 5TDB Kd = 1.45 uM DA2 ILE PHE SER n/a n/a
2 3NY3 Kd = 19 uM 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 23 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 Kd = 19 uM 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 (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 18 families.
1 5TDC Kd = 12.88 uM NMM ILE PHE SER n/a n/a
2 3NIJ - HIS ILE ALA ALA n/a n/a
3 3NII - LYS ILE ALA ALA n/a n/a
4 3NIM Kd = 17.7 uM ARG ARG ALA ALA n/a n/a
5 3NIK Kd = 358.8 uM ARG GLU ALA ALA n/a n/a
6 3NIN - ARG LEU GLY GLU SER n/a n/a
7 5TDB Kd = 1.45 uM DA2 ILE PHE SER n/a n/a
8 3NY3 Kd = 19 uM ARG ILE PHE SER n/a n/a
9 5TDA - ARG LEU TRP SER n/a n/a
10 5TDD Kd = 34 uM HIS ILE PHE SER n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ARG ILE PHE SER; Similar ligands found: 72
No: Ligand ECFP6 Tc MDL keys Tc
1 ARG ILE PHE SER 1 1
2 ARG ARG LEU ILE PHE NH2 0.586538 0.882353
3 ARG ABA PHE ILE PHE ALA ASN ILE 0.580357 0.821429
4 ALA ILE ARG SER 0.576087 0.938776
5 VAL ALA PHE ARG SER 0.572816 0.94
6 ARG ABA VAL ILE PHE ALA ASN ILE 0.565217 0.836364
7 ARG SEP PRO VAL PHE SER 0.555556 0.671429
8 ARG ILE ALA ALA ALA 0.551724 0.836735
9 SER GLU ILE GLU PHE ALA ARG LEU 0.512397 0.907407
10 THR ALA ARG M3L SER THR 0.510417 0.725806
11 ALA PHE THR SER 0.505263 0.692308
12 LYS PHE LYS 0.5 0.627451
13 SER SER ILE GLU PHE ALA ARG LEU 0.5 0.890909
14 ARG ARG LEU PRO ILE PHE SER ARG LEU 0.496241 0.731343
15 GLU THR VAL ARG PHE GLN SER ASP 0.488189 0.839286
16 GLY ARG PHE ALA ALA ALA ILE ALA LYS 0.487179 0.851852
17 LEU SER PRO ASP SER PHE LEU ASN ASP 0.478723 0.711538
18 ALA TYR ARG 0.474747 0.830189
19 LYS ILE LEU HIS ARG LEU LEU GLN ASP SER 0.474453 0.774194
20 GLU ARG GLU SEP GLU PHE ASP ILE GLU ASP 0.473684 0.786885
21 PHQ ILE ALA ARG SER 0.470588 0.671233
22 NMM ILE PHE SER 0.468468 0.901961
23 TYR SER THR CYS TYR PHE ILE MET 0.467213 0.645161
24 LYS VAL ILE THR PHE ILE ASP LEU 0.466667 0.701754
25 ARG ILE PRO SER TYR ARG TYR ARG TYR 0.466165 0.690141
26 GLY ASP GLU VAL LYS VAL PHE ARG 0.459677 0.785714
27 ARG ARG ILE TYR ASP LEU ILE GLU LEU 0.457364 0.79661
28 ASP PHE SER ILE 0.45098 0.703704
29 GLY ARG PHE GLN VAL THR 0.45045 0.826923
30 PHE TYR ARG TYR GLY PHE VAL ALA ASN PHE 0.448 0.721311
31 ALA THR ARG ASN PHE SER GLY 0.446281 0.839286
32 ILE ARG LYS ILE LEU PHE LEU ASP GLY ILE 0.444444 0.807018
33 ARG ABA GLN ILE PHE ALA ASN ILE 0.443548 0.740741
34 SER ILE ILE ASN PHE GLU LYS LEU 0.435484 0.754386
35 MET PHE SER ILE ASP ASN ILE LEU ALA 0.434109 0.672131
36 LYS ALC LYS 0.431579 0.653846
37 THR PHE ALY SER ILE MET LYS 0.431034 0.75
38 SER ARG ILE ARG ILE ARG GLY TYR VAL ARG 0.429688 0.803279
39 ARG TYR GLY PHE VAL ALA ASN PHE 0.427481 0.725806
40 ALA ARG M3L SER 0.427184 0.725806
41 LYS LEU LEU PHE 0.425743 0.705882
42 ARG ARG ARG ARG ARG ARG ARG ARG 0.425532 0.745098
43 ARG VAL ALA GLN LEU GLU GLN VAL TYR ILE 0.424242 0.839286
44 GLU ILE ILE ASN PHE GLU LYS LEU 0.424 0.684211
45 ARG ARG ARG ARG SER TRP TYR 0.424 0.692308
46 DPN PRO DAR ILE NH2 0.423729 0.737705
47 ASN ARG LEU ILE LEU THR GLY 0.423423 0.792453
48 ARG PRO GLY ASN PHE LEU GLN ASN ARG PRO 0.420635 0.8
49 ARG GLY ASP ILE ASN ASN ASN VAL 0.418803 0.741379
50 ALA GLN PHE SER ALA SER ALA SER ARG 0.418803 0.87037
51 ARG ARG PHE AIB ALA MET LEU ALA 0.418605 0.793103
52 GLU LEU LYS ARG LYS MET ILE TYR MET 0.41791 0.758065
53 SER ILE ILE GLY PHE GLU LYS LEU 0.417323 0.75
54 PHE ARG TYR LEU GLY 0.416667 0.779661
55 ASP ALA GLU PHE ARG HIS ASP SER 0.415385 0.704918
56 GLY ALA ASP ILE PHE TYR LEU ASP GLY ALA 0.414634 0.655172
57 GLU ASP GLU ASP PHE GLU ILE LEU SER LEU 0.414062 0.732143
58 ARG GLY PHE ALA LEU M3L SER THR HIS GLY 0.410596 0.64
59 LYS ILE LYS 0.408602 0.673077
60 ASP PHE GLU GLU ILE 0.407407 0.692308
61 SER ARG TYR TRP ALA ILE ARG THR ARG 0.406897 0.742424
62 GLU VAL TYR GLU SER 0.405405 0.678571
63 ALA ILE PHE GLN SER SER MET THR LYS 0.40458 0.704918
64 SER GLU LEU GLU ILE LYS ARG TYR 0.40458 0.816667
65 ARG ALA ARG 0.404255 0.76
66 ASP SER GLY PHE SER PHE GLY SER LYS 0.40404 0.636364
67 ILE LEU ALA LYS PHE LEU HIS ARG LEU 0.402878 0.75
68 LYS ILE ALA ALA 0.402174 0.64
69 ARG ARG GLY ILE NH2 0.401961 0.807692
70 SER ARG LYS ILE ASP ASN LEU ASP 0.401575 0.779661
71 ARG HIS LYS ALY LEU MET PHE LYS 0.4 0.676923
72 ARG GLN PHE GLY PRO ASP PHE PRO THR ILE 0.4 0.676056
Similar Binding Sites (Proteins are less than 50% similar to leader)
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