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

Protein crystallography data

The structure of Crystal Structure of Acetylpolyamine Amidohydrolase From Mycoplana Ramosa in Complex with A Hydroxamate Inhibitor, PDB code: 4zuq 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) 41.80 / 1.22
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 44.917, 120.511, 64.408, 90.00, 96.89, 90.00
R / Rfree (%) 13.7 / 15.2

Other elements in 4zuq:

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

Zinc (Zn) 4 atoms
Sodium (Na) 2 atoms

Potassium Binding Sites:

The binding sites of Potassium atom in the Crystal Structure of Acetylpolyamine Amidohydrolase From Mycoplana Ramosa in Complex with A Hydroxamate Inhibitor (pdb code 4zuq). 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 Hydroxamate Inhibitor, PDB code: 4zuq:
Jump to Potassium binding site number: 1; 2;

Potassium binding site 1 out of 2 in 4zuq

Go back to Potassium Binding Sites List in 4zuq
Potassium binding site 1 out of 2 in the Crystal Structure of Acetylpolyamine Amidohydrolase From Mycoplana Ramosa in Complex with A Hydroxamate 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 Hydroxamate Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K401

b:5.9
occ:1.00
O A:ASP195 2.6 5.6 1.0
O A:LEU217 2.7 5.4 1.0
OD1 A:ASP193 2.7 6.2 1.0
O A:HIS197 2.8 5.5 1.0
OG A:SER216 2.8 6.0 1.0
O A:ASP193 2.9 5.8 1.0
CG A:ASP193 3.3 5.7 1.0
C A:ASP193 3.5 6.0 1.0
C A:ASP195 3.6 5.3 1.0
C A:HIS197 3.7 4.8 1.0
C A:LEU217 3.7 5.2 1.0
N A:ASP195 3.8 5.6 1.0
CB A:ASP193 3.8 6.1 1.0
N A:LEU217 3.9 5.8 1.0
CB A:HIS218 3.9 6.1 1.0
CB A:SER216 4.0 5.7 1.0
OD2 A:ASP193 4.1 6.4 1.0
CA A:ASP195 4.1 5.0 1.0
N A:VAL194 4.2 5.6 1.0
CA A:HIS198 4.2 5.4 1.0
C A:VAL194 4.2 5.4 1.0
CA A:ASP193 4.2 5.3 1.0
N A:HIS198 4.3 5.2 1.0
ND1 A:HIS218 4.3 6.1 1.0
N A:GLY199 4.3 5.4 1.0
CB A:ASP195 4.3 5.8 1.0
CA A:SER216 4.3 5.3 1.0
CA A:VAL194 4.4 5.7 1.0
N A:HIS197 4.4 5.1 1.0
CA A:HIS218 4.5 5.0 1.0
C A:SER216 4.5 6.4 1.0
CA A:LEU217 4.5 5.5 1.0
N A:HIS218 4.5 5.3 1.0
C A:PHE196 4.5 5.4 1.0
CG A:HIS218 4.6 4.9 1.0
C A:HIS198 4.6 5.2 1.0
O A:HOH706 4.6 6.8 1.0
CA A:HIS197 4.7 5.4 1.0
N A:PHE196 4.7 5.0 1.0
O A:PHE196 4.8 6.0 1.0
CE1 A:HIS158 4.8 6.3 1.0
O A:VAL194 4.9 6.1 1.0
ND1 A:HIS158 4.9 5.8 1.0

Potassium binding site 2 out of 2 in 4zuq

Go back to Potassium Binding Sites List in 4zuq
Potassium binding site 2 out of 2 in the Crystal Structure of Acetylpolyamine Amidohydrolase From Mycoplana Ramosa in Complex with A Hydroxamate 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 Hydroxamate Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
B:K401

b:5.8
occ:1.00
O B:ASP195 2.6 5.4 1.0
O B:LEU217 2.6 5.8 1.0
OD1 B:ASP193 2.7 6.4 1.0
O B:HIS197 2.7 5.4 1.0
OG B:SER216 2.8 5.7 1.0
O B:ASP193 2.8 6.0 1.0
CG B:ASP193 3.3 5.7 1.0
C B:ASP193 3.5 5.3 1.0
C B:ASP195 3.6 4.8 1.0
C B:HIS197 3.7 4.8 1.0
C B:LEU217 3.7 5.9 1.0
CB B:ASP193 3.8 5.8 1.0
N B:ASP195 3.8 5.6 1.0
N B:LEU217 3.9 5.4 1.0
CB B:HIS218 3.9 5.9 1.0
CB B:SER216 4.0 6.4 1.0
OD2 B:ASP193 4.1 5.9 1.0
CA B:ASP195 4.1 5.3 1.0
N B:VAL194 4.1 5.3 1.0
C B:VAL194 4.2 5.0 1.0
CA B:HIS198 4.2 5.2 1.0
CA B:ASP193 4.2 5.6 1.0
ND1 B:HIS218 4.3 6.0 1.0
N B:HIS198 4.3 5.3 1.0
CB B:ASP195 4.3 6.4 1.0
N B:GLY199 4.3 5.2 1.0
CA B:SER216 4.3 5.3 1.0
CA B:VAL194 4.4 5.7 1.0
N B:HIS197 4.4 5.5 1.0
CA B:HIS218 4.4 5.2 1.0
C B:SER216 4.5 5.9 1.0
CA B:LEU217 4.5 5.4 1.0
C B:PHE196 4.5 5.5 1.0
N B:HIS218 4.5 5.1 1.0
C B:HIS198 4.6 5.0 1.0
CG B:HIS218 4.6 5.1 1.0
O B:HOH707 4.6 6.7 1.0
CA B:HIS197 4.7 5.6 1.0
N B:PHE196 4.7 5.0 1.0
O B:PHE196 4.8 5.6 1.0
CE1 B:HIS158 4.8 6.2 1.0
O B:VAL194 4.9 6.2 1.0
ND1 B:HIS158 4.9 5.8 1.0

Reference:

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
Page generated: Sun Dec 13 23:53:22 2020

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