Chlorine in PDB 3wbh: Structural Characteristics of Alkaline Phosphatase From A Moderately Halophilic Bacteria Halomonas Sp.593

All present enzymatic activity of Structural Characteristics of Alkaline Phosphatase From A Moderately Halophilic Bacteria Halomonas Sp.593:
3.1.3.1;

The structure of Structural Characteristics of Alkaline Phosphatase From A Moderately Halophilic Bacteria Halomonas Sp.593, PDB code: 3wbh was solved by S.Arai, Y.Yonezawa, M.Ishibashi, F.Matsumoto, T.Tamada, H.Tokunaga, M.Tokunaga, R.Kuroki, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.29 / 2.10
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	52.713, 146.974, 58.280, 90.00, 105.21, 90.00
R / Rfree (%)	17.7 / 22.5

The structure of Structural Characteristics of Alkaline Phosphatase From A Moderately Halophilic Bacteria Halomonas Sp.593 also contains other interesting chemical elements:

Magnesium	(Mg)	6 atoms
Zinc	(Zn)	4 atoms

The binding sites of Chlorine atom in the Structural Characteristics of Alkaline Phosphatase From A Moderately Halophilic Bacteria Halomonas Sp.593 (pdb code 3wbh). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Structural Characteristics of Alkaline Phosphatase From A Moderately Halophilic Bacteria Halomonas Sp.593, PDB code: 3wbh:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Structural Characteristics of Alkaline Phosphatase From A Moderately Halophilic Bacteria Halomonas Sp.593


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structural Characteristics of Alkaline Phosphatase From A Moderately Halophilic Bacteria Halomonas Sp.593 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl506 b:34.9 occ:1.00 ZN A:ZN504 2.5 35.9 1.0 OG A:SER65 2.6 11.6 1.0 O B:HOH633 3.0 22.1 1.0 O A:HOH636 3.1 14.5 1.0 NH2 A:ARG129 3.2 25.2 1.0 NH1 A:ARG129 3.3 23.4 1.0 CB A:SER65 3.3 11.6 1.0 O A:HOH629 3.3 12.9 1.0 OD2 A:ASP269 3.4 12.6 1.0 O A:HOH635 3.5 22.4 1.0 NE2 A:HIS461 3.5 9.7 1.0 CE1 A:HIS461 3.6 10.3 1.0 CZ A:ARG129 3.7 26.5 1.0 ZN A:ZN505 3.7 13.6 1.0 O A:HOH639 3.8 9.7 1.0 N A:SER65 4.0 11.4 1.0 CG A:ASP269 4.2 11.6 1.0 CA A:SER65 4.2 11.4 1.0 OD1 A:ASP269 4.4 12.0 1.0 NE2 A:HIS312 4.5 10.1 1.0 NE2 A:HIS273 4.5 10.7 1.0 OD1 A:ASP12 4.7 12.6 1.0 ND1 A:HIS461 4.9 10.5 1.0 CD2 A:HIS461 4.9 10.2 1.0 CE1 A:HIS312 5.0 9.7 1.0

Chlorine binding site 2 out of 2 in the Structural Characteristics of Alkaline Phosphatase From A Moderately Halophilic Bacteria Halomonas Sp.593


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structural Characteristics of Alkaline Phosphatase From A Moderately Halophilic Bacteria Halomonas Sp.593 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl506 b:29.1 occ:1.00 ZN B:ZN504 2.4 33.4 1.0 OG B:SER65 2.5 12.4 1.0 O B:HOH634 2.9 20.9 1.0 O A:HOH637 3.0 18.3 1.0 OD2 B:ASP269 3.1 15.8 1.0 CB B:SER65 3.2 11.9 1.0 O B:HOH610 3.3 11.5 1.0 NH1 B:ARG129 3.4 29.5 1.0 NH2 B:ARG129 3.5 31.0 1.0 NE2 B:HIS461 3.6 11.2 1.0 CE1 B:HIS461 3.6 11.3 1.0 ZN B:ZN505 3.7 13.2 1.0 CZ B:ARG129 3.9 31.9 1.0 O B:HOH638 3.9 7.8 1.0 N B:SER65 4.1 12.5 1.0 CG B:ASP269 4.1 14.3 1.0 CA B:SER65 4.3 11.8 1.0 NE2 B:HIS312 4.4 11.9 1.0 OD1 B:ASP269 4.5 15.3 1.0 NE2 B:HIS273 4.6 11.4 1.0 OD1 B:ASP12 4.6 9.9 1.0 ND1 B:HIS461 4.9 11.9 1.0 CD2 B:HIS461 4.9 10.9 1.0 CE1 B:HIS312 4.9 11.4 1.0

S.Arai, Y.Yonezawa, M.Ishibashi, F.Matsumoto, M.Adachi, T.Tamada, H.Tokunaga, M.Blaber, M.Tokunaga, R.Kuroki. Structural Characteristics of Alkaline Phosphatase From the Moderately Halophilic Bacterium Halomonas Sp. 593. Acta Crystallogr.,Sect.D V. 70 811 2014.
ISSN: ISSN 0907-4449
DOI: 10.1107/S1399004713033609