Chlorine in PDB 7yzz: Crystal Structure of Vibrio Alkaline Phosphatase in 0.5 M Nacl

The structure of Crystal Structure of Vibrio Alkaline Phosphatase in 0.5 M Nacl, PDB code: 7yzz was solved by S.Markusson, J.G.Hjorleifsson, P.Kursula, B.Asgeirsson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.31 / 1.29
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	77.08, 84.74, 85.23, 90, 113.48, 90
R / Rfree (%)	12.1 / 13.9

The structure of Crystal Structure of Vibrio Alkaline Phosphatase in 0.5 M Nacl also contains other interesting chemical elements:

Magnesium	(Mg)	5 atoms
Zinc	(Zn)	4 atoms

The binding sites of Chlorine atom in the Crystal Structure of Vibrio Alkaline Phosphatase in 0.5 M Nacl (pdb code 7yzz). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Vibrio Alkaline Phosphatase in 0.5 M Nacl, PDB code: 7yzz:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Vibrio Alkaline Phosphatase in 0.5 M Nacl


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Vibrio Alkaline Phosphatase in 0.5 M Nacl within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl614 b:21.4 occ:1.00 H A:TYR179 2.4 28.1 1.0 H A:TYR222 2.4 23.5 1.0 HA A:ALA221 2.9 21.9 1.0 HG13 A:VAL178 3.0 28.8 1.0 HA A:VAL178 3.0 28.0 1.0 O A:HOH873 3.2 24.9 1.0 N A:TYR222 3.2 19.6 1.0 N A:TYR179 3.2 23.5 1.0 HB3 A:TYR179 3.3 32.5 1.0 HB3 A:TYR222 3.4 25.4 1.0 HB1 A:ALA221 3.5 21.7 1.0 CA A:ALA221 3.6 18.3 1.0 HB2 A:TYR179 3.7 32.5 1.0 HB2 A:TYR222 3.8 25.4 1.0 CB A:TYR179 3.8 27.1 1.0 CA A:VAL178 3.9 23.4 1.0 CG1 A:VAL178 3.9 24.0 1.0 C A:ALA221 3.9 18.0 1.0 CB A:TYR222 4.0 21.2 1.0 CB A:ALA221 4.0 18.1 1.0 C A:VAL178 4.1 23.1 1.0 HG12 A:VAL178 4.1 28.8 1.0 CA A:TYR179 4.2 24.5 1.0 HB2 A:ALA221 4.2 21.7 1.0 CA A:TYR222 4.2 19.6 1.0 HG22 A:VAL178 4.3 30.4 1.0 CB A:VAL178 4.4 23.3 1.0 O A:HOH795 4.5 20.1 1.0 O A:HOH707 4.5 22.1 1.0 O A:ASP177 4.5 24.7 1.0 HG11 A:VAL178 4.6 28.8 1.0 H A:SER223 4.8 22.8 1.0 HA A:TYR222 4.8 23.5 1.0 HE21 A:GLN242 4.8 27.7 1.0 HB3 A:ALA221 4.9 21.7 1.0 O A:PHE220 4.9 18.4 1.0 N A:ALA221 4.9 17.7 1.0 HA A:TYR179 4.9 29.4 1.0 O A:TYR179 4.9 24.8 1.0 CG2 A:VAL178 4.9 25.3 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Vibrio Alkaline Phosphatase in 0.5 M Nacl


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Vibrio Alkaline Phosphatase in 0.5 M Nacl within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl607 b:21.5 occ:1.00 H B:TYR179 2.4 25.7 1.0 H B:TYR222 2.4 21.7 1.0 HA B:ALA221 2.9 20.5 1.0 O B:HOH1080 3.0 37.4 1.0 HG13 B:VAL178 3.0 27.1 1.0 HA B:VAL178 3.1 26.4 1.0 O B:HOH973 3.2 27.9 1.0 N B:TYR179 3.2 21.4 1.0 N B:TYR222 3.3 18.1 1.0 HB3 B:TYR179 3.3 28.0 1.0 HB3 B:TYR222 3.4 23.4 1.0 HB1 B:ALA221 3.5 22.3 1.0 HB2 B:TYR179 3.6 28.0 1.0 CA B:ALA221 3.7 17.1 1.0 HB2 B:TYR222 3.7 23.4 1.0 CB B:TYR179 3.8 23.3 1.0 CG1 B:VAL178 3.9 22.6 1.0 CA B:VAL178 3.9 22.0 1.0 CB B:TYR222 4.0 19.6 1.0 C B:ALA221 4.0 17.5 1.0 CB B:ALA221 4.0 18.6 1.0 C B:VAL178 4.1 22.4 1.0 CA B:TYR179 4.1 22.7 1.0 HG12 B:VAL178 4.2 27.1 1.0 HB2 B:ALA221 4.2 22.3 1.0 CA B:TYR222 4.2 18.3 1.0 O B:HOH858 4.4 20.1 1.0 CB B:VAL178 4.5 23.2 1.0 HG22 B:VAL178 4.5 28.6 1.0 O B:HOH704 4.6 36.0 1.0 HG11 B:VAL178 4.6 27.1 1.0 HE21 B:GLN242 4.6 28.6 1.0 O B:ASP177 4.6 24.5 1.0 HA B:TYR222 4.7 21.9 1.0 H B:SER223 4.8 21.8 1.0 O B:TYR179 4.8 23.4 1.0 HA B:TYR179 4.9 27.2 1.0 HB3 B:ALA221 4.9 22.3 1.0 O B:PHE220 4.9 18.9 1.0 N B:ALA221 4.9 16.8 1.0

S.Markusson, J.G.Hjorleifsson, P.Kursula, B.Asgeirsson. Structural Characterization of Functionally Important Chloride Binding Sites in the Marine Vibrio Alkaline Phosphatase. Biochemistry V. 61 2248 2022.
ISSN: ISSN 0006-2960
PubMed: 36194497
DOI: 10.1021/ACS.BIOCHEM.2C00438