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

Enzymatic activity of 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;

Protein crystallography data

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

Other elements in 4tm7:

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

Chlorine Binding Sites:

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 4tm7

Go back to Chlorine Binding Sites List in 4tm7
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 4tm7

Go back to Chlorine Binding Sites List in 4tm7
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

Reference:

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
Page generated: Sat Dec 12 11:13:07 2020

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