Receptor
PDB id Resolution Class Description Source Keywords
3NIN 2.1 Å EC: 6.-.-.- THE STRUCTURE OF UBR BOX (RLGES) 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 LEU GLY GLU SER D:1;
E:1;
Valid;
Valid;
none;
none;
submit data
330.433 n/a O=C(N...
ZN A:1;
A:2;
A:3;
B:1;
B:2;
B:3;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
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
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 LEU GLY GLU SER; Similar ligands found: 28
No: Ligand ECFP6 Tc MDL keys Tc
1 ARG LEU GLY GLU SER 1 1
2 ARG ARG GLY LEU NH2 0.555556 0.955556
3 ASN VAL LEU GLY PHE THR GLN 0.514286 0.744681
4 ARG ASP ALA ALA 0.513889 0.829787
5 ARG SER MLZ SER ASP GLY 0.488889 0.706897
6 ARG ALA ARG 0.478873 0.863636
7 ARG ILE ALA ALA ALA 0.472222 0.909091
8 ARG ARG GLY ILE NH2 0.467532 0.913043
9 ARG ARG ALA ALA 0.466667 0.829787
10 ARG SER ARG 0.458333 0.711538
11 ARG ARG GLY MET NH2 0.45 0.82
12 ARG ARG GLY CYS NH2 0.447368 0.829787
13 ARG ARG LEU ILE PHE NH2 0.446809 0.836735
14 ARG GLU ALA ALA 0.443038 0.869565
15 ARG GLY THR 0.44 0.816327
16 ARG LEU TRP SER 0.434343 0.683333
17 ASN ARG LEU ILE LEU THR GLY 0.433333 0.875
18 GLY SEP LEU GLY 0.428571 0.642857
19 ARG LEU GLN ARG ARG ARG GLU THR GLN VAL 0.428571 0.792453
20 MET ARG THR GLY ASN ALA XSN 0.424658 0.808511
21 ARG SER LEU SEP ALA PRO GLY ASN 0.423423 0.614286
22 SER LEU ARG PHE LEU TYR GLU GLY 0.422018 0.716667
23 ARG GLY ASP 0.421053 0.829787
24 E64 0.418919 0.826923
25 GLN LEU ALA 0.408451 0.727273
26 ALA ALA LEU THR ARG ALA 0.406593 0.82
27 ALA ARG LYS LEU ASP 0.402299 0.857143
28 MET ALA ARG 0.4 0.8
Similar Ligands (3D)
Ligand no: 1; Ligand: ARG LEU GLY GLU SER; 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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