Chlorine in PDB 5f24: Crystal Structure of Dual Specific Impase/Nadp Phosphatase Bound with D-Inositol-1-Phosphate

All present enzymatic activity of Crystal Structure of Dual Specific Impase/Nadp Phosphatase Bound with D-Inositol-1-Phosphate:
3.1.3.25;

The structure of Crystal Structure of Dual Specific Impase/Nadp Phosphatase Bound with D-Inositol-1-Phosphate, PDB code: 5f24 was solved by S.Bhattacharyya, D.Dutta, A.K.Ghosh, A.K.Das, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	68.40 / 2.50
Space group	P 2 21 21
Cell size a, b, c (Å), α, β, γ (°)	60.567, 67.835, 137.297, 90.00, 90.00, 90.00
R / Rfree (%)	17.2 / 23.3

The structure of Crystal Structure of Dual Specific Impase/Nadp Phosphatase Bound with D-Inositol-1-Phosphate also contains other interesting chemical elements:

Calcium

(Ca)

4 atoms

The binding sites of Chlorine atom in the Crystal Structure of Dual Specific Impase/Nadp Phosphatase Bound with D-Inositol-1-Phosphate (pdb code 5f24). 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 Dual Specific Impase/Nadp Phosphatase Bound with D-Inositol-1-Phosphate, PDB code: 5f24:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Dual Specific Impase/Nadp Phosphatase Bound with D-Inositol-1-Phosphate


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 Dual Specific Impase/Nadp Phosphatase Bound with D-Inositol-1-Phosphate within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl304 b:33.5 occ:1.00 OG1 A:THR250 2.9 26.4 1.0 O A:HOH488 3.2 13.7 1.0 N A:LEU152 3.3 28.1 1.0 O A:ALA246 3.3 28.0 1.0 CB A:THR250 3.5 26.2 1.0 CA A:CYS247 3.9 26.7 1.0 CB A:LEU152 3.9 26.1 1.0 CA A:LYS151 4.0 31.0 1.0 C A:LYS151 4.1 29.2 1.0 CB A:LYS151 4.1 33.2 1.0 CA A:LEU152 4.2 26.6 1.0 CG2 A:THR250 4.2 26.7 1.0 CB A:CYS247 4.3 26.3 1.0 C A:ALA246 4.4 28.0 1.0 CG A:LYS151 4.6 35.3 1.0 N A:CYS247 4.7 27.5 1.0 C A:CYS247 4.7 25.6 1.0 O A:CYS247 4.8 25.6 1.0 CA A:THR250 4.9 26.3 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Dual Specific Impase/Nadp Phosphatase Bound with D-Inositol-1-Phosphate


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 Dual Specific Impase/Nadp Phosphatase Bound with D-Inositol-1-Phosphate within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl305 b:33.1 occ:1.00 OG1 B:THR250 3.0 24.1 1.0 O B:HOH506 3.1 27.1 1.0 N B:LEU152 3.3 25.9 1.0 O B:HOH476 3.4 9.5 1.0 O B:ALA246 3.4 24.9 1.0 CB B:THR250 3.6 25.2 1.0 CB B:LEU152 3.9 24.7 1.0 CA B:CYS247 3.9 23.8 1.0 CA B:LYS151 4.0 29.1 1.0 C B:LYS151 4.1 26.7 1.0 CB B:LYS151 4.1 32.2 1.0 CA B:LEU152 4.2 24.7 1.0 CG2 B:THR250 4.2 24.9 1.0 O B:HOH413 4.3 14.1 1.0 CB B:CYS247 4.3 22.9 1.0 C B:ALA246 4.4 24.8 1.0 CG B:LYS151 4.5 35.8 1.0 N B:CYS247 4.6 24.0 1.0 C B:CYS247 4.8 24.7 1.0 O B:CYS247 4.8 25.2 1.0 CA B:THR250 4.9 25.8 1.0

S.Bhattacharyya, A.Dutta, D.Dutta, A.K.Ghosh, A.K.Das. Structural Elucidation of the Nadp(H) Phosphatase Activity of Staphylococcal Dual-Specific Impase/Nadp(H) Phosphatase Acta Crystallogr D Struct V. 72 281 2016BIOL.
ISSN: ISSN 2059-7983
PubMed: 26894675
DOI: 10.1107/S2059798316000620