Chlorine in PDB 4tm7: Crystal Structure of 6-Phosphogluconolactonase From Mycobacterium Smegmatis N131D Mutant Soaked with CUSO4

All present enzymatic activity of Crystal Structure of 6-Phosphogluconolactonase From Mycobacterium Smegmatis N131D Mutant Soaked with CUSO4:
3.1.1.31;

The structure of Crystal Structure of 6-Phosphogluconolactonase From Mycobacterium Smegmatis N131D Mutant Soaked with CUSO4, PDB code: 4tm7 was solved by N.Fujieda, E.Stuttfeld, T.Maier, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	74.23 / 1.39
Space group	P 32 1 2
Cell size a, b, c (Å), α, β, γ (°)	42.520, 42.520, 222.700, 90.00, 90.00, 120.00
R / Rfree (%)	14.9 / 17.8

The structure of Crystal Structure of 6-Phosphogluconolactonase From Mycobacterium Smegmatis N131D Mutant Soaked with CUSO4 also contains other interesting chemical elements:

Copper

(Cu)

16 atoms

The binding sites of Chlorine atom in the Crystal Structure of 6-Phosphogluconolactonase From Mycobacterium Smegmatis N131D Mutant Soaked with CUSO4 (pdb code 4tm7). 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 6-Phosphogluconolactonase From Mycobacterium Smegmatis N131D Mutant Soaked with CUSO4, PDB code: 4tm7:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of 6-Phosphogluconolactonase From Mycobacterium Smegmatis N131D Mutant Soaked with CUSO4


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 6-Phosphogluconolactonase From Mycobacterium Smegmatis N131D Mutant Soaked with CUSO4 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl321 b:51.1 occ:0.71 CU A:CU318 2.9 29.2 0.2 O A:HOH550 3.1 44.1 1.0 O A:HOH448 3.5 56.1 1.0 CB A:GLU118 4.8 29.3 1.0 OD1 A:ASP116 5.0 28.2 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of 6-Phosphogluconolactonase From Mycobacterium Smegmatis N131D Mutant Soaked with CUSO4


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 6-Phosphogluconolactonase From Mycobacterium Smegmatis N131D Mutant Soaked with CUSO4 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl322 b:60.8 occ:0.92 OD1 A:ASP81 2.9 36.9 0.5 OD2 A:ASP81 3.1 33.8 0.5 CG A:ASP81 3.4 34.9 0.5 NZ A:LYS86 4.0 39.2 1.0 CB A:ASP81 4.6 37.9 0.5 CU A:CU320 4.8 33.4 0.2 CE A:LYS86 4.8 34.2 1.0 OE2 A:GLU90 4.8 51.4 1.0 CB A:ASP81 4.9 33.3 0.5

N.Fujieda, J.Schatti, E.Stuttfeld, K.Ohkubo, T.Maier, S.Fukuzumi, T.R.Ward. Enzyme Repurposing of A Hydrolase As An Emergent Peroxidase Upon Metal Binding. Chem Sci V. 6 4060 2015.
ISSN: ISSN 2041-6520
PubMed: 29218172
DOI: 10.1039/C5SC01065A