Receptor
PDB id Resolution Class Description Source Keywords
3NIH 2.1 Å EC: 6.-.-.- THE STRUCTURE OF UBR BOX (RIAAA) SACCHAROMYCES CEREVISIAE E3 UBIQUITIN LIGASE UBR BOX ZINC-BINDING PROTEIN N-END RULIGASE METAL BINDING PROTEIN
Ref.: STRUCTURAL BASIS FOR THE RECOGNITION OF N-END RULE SUBSTRATES BY THE UBR BOX OF UBIQUITIN LIGASES NAT.STRUCT.MOL.BIOL. V. 17 1175 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ARG ILE ALA ALA ALA B:1;
 Valid;
 none;
 submit data
344.46 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
3NIM 2 Å EC: 6.-.-.- THE STRUCTURE OF UBR BOX (RRAA) SACCHAROMYCES CEREVISIAE E3 UBIQUITIN LIGASE UBR BOX ZINC-BINDING PROTEIN N-END RULIGASE METAL BINDING PROTEIN
Ref.: STRUCTURAL BASIS FOR THE RECOGNITION OF N-END RULE SUBSTRATES BY THE UBR BOX OF UBIQUITIN LIGASES NAT.STRUCT.MOL.BIOL. V. 17 1175 2010
Members (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 13 families.
1 3NIL - ARG ASP ALA ALA n/a n/a
2 3NIJ - HIS ILE ALA ALA n/a n/a
3 3NIH - ARG ILE ALA ALA ALA n/a n/a
4 3NII - LYS ILE ALA ALA n/a n/a
5 3NIM Kd = 17.7 uM ARG ARG ALA ALA n/a n/a
6 3NIK Kd = 358.8 uM ARG GLU ALA ALA n/a n/a
7 3NIN - ARG LEU GLY GLU SER n/a n/a
70% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 13 families.
1 3NIL - ARG ASP ALA ALA n/a n/a
2 3NIJ - HIS ILE ALA ALA n/a n/a
3 3NIH - ARG ILE ALA ALA ALA n/a n/a
4 3NII - LYS ILE ALA ALA n/a n/a
5 3NIM Kd = 17.7 uM ARG ARG ALA ALA n/a n/a
6 3NIK Kd = 358.8 uM ARG GLU ALA ALA n/a n/a
7 3NIN - ARG LEU GLY GLU 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 ALA ALA ALA; Similar ligands found: 31
No: Ligand ECFP6 Tc MDL keys Tc
1 ARG ILE ALA ALA ALA 1 1
2 LYS ILE ALA ALA 0.655738 0.833333
3 ARG ASP ALA ALA 0.57971 0.826087
4 ARG ILE PHE SER 0.546512 0.836735
5 ALA ILE ARG SER 0.512821 0.891304
6 ARG ILE MET GLU NH2 0.505882 0.836735
7 ARG ALA ARG 0.5 0.904762
8 NMM ILE PHE SER 0.481928 0.87234
9 ARG LEU GLY GLU SER 0.472222 0.909091
10 ARG ARG GLY ILE NH2 0.467532 0.911111
11 ALA ARG THR ALA ALA THR ALA ARG LYS SER 0.464286 0.795918
12 ARG GLY ASP ILE ASN ASN ASN VAL 0.458333 0.788462
13 ALA LYS ALA ILE ALA 0.45 0.813953
14 ASN ARG LEU ILE LEU THR GLY 0.449438 0.87234
15 ARG ARG LEU ILE PHE NH2 0.446809 0.87234
16 PRO ALA ALA LYS ARG VAL LYS LEU ASP 0.440476 0.866667
17 ARG GLY ASP 0.44 0.787234
18 ARG GLY THR 0.44 0.77551
19 ALA ALA LEU THR ARG ALA 0.438202 0.816327
20 ARG ARG ALA ALA 0.428571 0.866667
21 ALA ARG THR ALY GLN THR ALA 0.425532 0.722222
22 MET ARG THR GLY ASN ALA XSN 0.424658 0.844444
23 ALA ARG THR M3L GLN THR ALA 2MR LYS 0.410526 0.645161
24 LYS ILE LEU GLY PRV VAL PHE PRQ VAL 0.410256 0.76087
25 CYS ALA ARG ALA TYR 0.407895 0.883721
26 ARG GLU ALA ALA 0.407407 0.866667
27 LYS TYR PRO PHE VAL GLU PRO ILE 0.40678 0.634146
28 LYS ILE LYS 0.405405 0.76087
29 ALA ARG THR MLY GLN THR ALA ARG LYS TYR 0.402062 0.666667
30 ARG ARG GLY LEU NH2 0.4 0.869565
31 ARG SER ARG 0.4 0.74
Similar Ligands (3D)
Ligand no: 1; Ligand: ARG ILE ALA ALA ALA; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3NIM; Ligand: ARG ARG ALA ALA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 3nim.bio4) has 17 residues
No: Leader PDB Ligand Sequence Similarity
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