Potassium in PDB 4zun: Crystal Structure of Acetylpolyamine Amidohydrolase From Mycoplana Ramosa in Complex with A Thiol Inhibitor

The structure of Crystal Structure of Acetylpolyamine Amidohydrolase From Mycoplana Ramosa in Complex with A Thiol Inhibitor, PDB code: 4zun was solved by C.Decroos, D.W.Christianson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.78 / 1.40
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	44.859, 120.993, 64.710, 90.00, 97.03, 90.00
R / Rfree (%)	14.6 / 16.4

The structure of Crystal Structure of Acetylpolyamine Amidohydrolase From Mycoplana Ramosa in Complex with A Thiol Inhibitor also contains other interesting chemical elements:

Zinc	(Zn)	6 atoms
Sodium	(Na)	2 atoms

The binding sites of Potassium atom in the Crystal Structure of Acetylpolyamine Amidohydrolase From Mycoplana Ramosa in Complex with A Thiol Inhibitor (pdb code 4zun). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total 2 binding sites of Potassium where determined in the Crystal Structure of Acetylpolyamine Amidohydrolase From Mycoplana Ramosa in Complex with A Thiol Inhibitor, PDB code: 4zun:
Jump to Potassium binding site number: 1; 2;

Potassium binding site 1 out of 2 in the Crystal Structure of Acetylpolyamine Amidohydrolase From Mycoplana Ramosa in Complex with A Thiol Inhibitor


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 1 of Crystal Structure of Acetylpolyamine Amidohydrolase From Mycoplana Ramosa in Complex with A Thiol Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:K402 b:11.4 occ:1.00 O A:ASP195 2.6 10.9 1.0 O A:LEU217 2.7 11.9 1.0 OD1 A:ASP193 2.7 11.0 1.0 O A:HIS197 2.8 10.5 1.0 OG A:SER216 2.8 11.1 1.0 O A:ASP193 2.9 11.6 1.0 CG A:ASP193 3.3 10.4 1.0 C A:ASP193 3.5 10.5 1.0 C A:ASP195 3.6 10.2 1.0 C A:HIS197 3.7 9.8 1.0 C A:LEU217 3.7 12.9 1.0 CB A:ASP193 3.8 10.3 1.0 N A:ASP195 3.8 10.9 1.0 CB A:HIS218 3.9 12.4 1.0 N A:LEU217 3.9 10.9 1.0 CB A:SER216 4.0 10.8 1.0 OD2 A:ASP193 4.1 10.6 1.0 CA A:ASP195 4.1 10.1 1.0 N A:VAL194 4.1 9.8 1.0 C A:VAL194 4.2 10.6 1.0 CA A:HIS198 4.2 9.7 1.0 CA A:ASP193 4.2 9.4 1.0 CB A:ASP195 4.3 10.8 1.0 N A:GLY199 4.3 10.1 1.0 N A:HIS198 4.3 10.4 1.0 ND1 A:HIS218 4.3 10.9 1.0 CA A:SER216 4.4 10.2 1.0 CA A:VAL194 4.4 10.0 1.0 N A:HIS197 4.4 10.1 1.0 CA A:HIS218 4.4 11.6 1.0 C A:SER216 4.5 10.6 1.0 CA A:LEU217 4.5 11.5 1.0 C A:PHE196 4.5 11.2 1.0 C A:HIS198 4.5 9.5 1.0 N A:HIS218 4.5 11.8 1.0 O A:HOH650 4.6 11.9 1.0 CG A:HIS218 4.6 10.1 1.0 CA A:HIS197 4.7 10.6 1.0 N A:PHE196 4.7 10.2 1.0 O A:PHE196 4.8 11.4 1.0 O A:VAL194 4.8 11.7 1.0

Potassium binding site 2 out of 2 in the Crystal Structure of Acetylpolyamine Amidohydrolase From Mycoplana Ramosa in Complex with A Thiol Inhibitor


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 2 of Crystal Structure of Acetylpolyamine Amidohydrolase From Mycoplana Ramosa in Complex with A Thiol Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ B:K401 b:11.8 occ:1.00 O B:ASP195 2.6 10.4 1.0 OD1 B:ASP193 2.7 10.7 1.0 O B:LEU217 2.7 11.6 1.0 O B:HIS197 2.8 10.7 1.0 OG B:SER216 2.8 11.9 1.0 O B:ASP193 2.9 11.7 1.0 CG B:ASP193 3.3 9.9 1.0 C B:ASP193 3.5 10.9 1.0 C B:ASP195 3.6 10.1 1.0 C B:HIS197 3.7 10.1 1.0 C B:LEU217 3.7 11.0 1.0 CB B:ASP193 3.8 10.5 1.0 N B:ASP195 3.8 10.8 1.0 CB B:HIS218 3.9 11.0 1.0 N B:LEU217 3.9 11.2 1.0 CB B:SER216 4.0 11.7 1.0 OD2 B:ASP193 4.1 11.3 1.0 CA B:ASP195 4.1 10.0 1.0 N B:VAL194 4.1 10.7 1.0 C B:VAL194 4.1 11.0 1.0 CA B:HIS198 4.1 10.9 1.0 CA B:ASP193 4.2 11.1 1.0 N B:HIS198 4.3 11.4 1.0 N B:GLY199 4.3 10.2 1.0 CB B:ASP195 4.3 10.5 1.0 ND1 B:HIS218 4.3 11.7 1.0 CA B:VAL194 4.4 11.6 1.0 CA B:SER216 4.4 11.7 1.0 N B:HIS197 4.4 10.3 1.0 CA B:HIS218 4.5 10.2 1.0 C B:SER216 4.5 11.1 1.0 CA B:LEU217 4.5 12.1 1.0 C B:HIS198 4.5 9.9 1.0 C B:PHE196 4.5 10.8 1.0 CG B:HIS218 4.6 10.8 1.0 N B:HIS218 4.6 10.9 1.0 O B:HOH677 4.6 11.7 1.0 CA B:HIS197 4.7 10.7 1.0 N B:PHE196 4.7 9.5 1.0 O B:PHE196 4.8 11.3 1.0 O B:VAL194 4.8 11.1 1.0 CE1 B:HIS158 5.0 12.1 1.0

C.Decroos, D.W.Christianson. Design, Synthesis, and Evaluation of Polyamine Deacetylase Inhibitors, and High-Resolution Crystal Structures of Their Complexes with Acetylpolyamine Amidohydrolase. Biochemistry V. 54 4692 2015.
ISSN: ISSN 0006-2960
PubMed: 26200446
DOI: 10.1021/ACS.BIOCHEM.5B00536