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Magnesium in PDB 4oaq: Crystal Structure of the R-Specific Carbonyl Reductase From Candida Parapsilosis Atcc 7330

Enzymatic activity of Crystal Structure of the R-Specific Carbonyl Reductase From Candida Parapsilosis Atcc 7330

All present enzymatic activity of Crystal Structure of the R-Specific Carbonyl Reductase From Candida Parapsilosis Atcc 7330:
1.1.1.195;

Protein crystallography data

The structure of Crystal Structure of the R-Specific Carbonyl Reductase From Candida Parapsilosis Atcc 7330, PDB code: 4oaq was solved by N.Aggrawal, P.K.Mandal, N.Gautham, A.Chadha, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 24.97 / 1.86
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 65.724, 99.896, 116.662, 90.00, 90.00, 90.00
R / Rfree (%) 20.1 / 24.9

Other elements in 4oaq:

The structure of Crystal Structure of the R-Specific Carbonyl Reductase From Candida Parapsilosis Atcc 7330 also contains other interesting chemical elements:

Zinc (Zn) 3 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of the R-Specific Carbonyl Reductase From Candida Parapsilosis Atcc 7330 (pdb code 4oaq). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the Crystal Structure of the R-Specific Carbonyl Reductase From Candida Parapsilosis Atcc 7330, PDB code: 4oaq:

Magnesium binding site 1 out of 1 in 4oaq

Go back to Magnesium Binding Sites List in 4oaq
Magnesium binding site 1 out of 1 in the Crystal Structure of the R-Specific Carbonyl Reductase From Candida Parapsilosis Atcc 7330


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of the R-Specific Carbonyl Reductase From Candida Parapsilosis Atcc 7330 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg404

b:20.6
occ:1.00
 O B:HOH653 2.3 22.8 1.0
O B:HOH737 2.3 30.9 1.0
O B:HOH547 2.4 23.8 1.0
O B:HOH739 2.5 19.3 1.0
O B:ASP82 2.5 28.7 1.0
O B:HOH639 2.6 26.4 1.0
C B:ASP82 3.4 27.3 1.0
O B:HOH738 3.7 18.9 1.0
O B:VAL84 3.8 25.6 1.0
CA B:ASP82 4.0 31.8 1.0
N B:GLU83 4.3 30.2 1.0
CA B:GLU83 4.6 33.7 1.0
O B:GLY81 4.7 23.6 1.0
CB B:ASP82 4.7 37.4 1.0
N B:VAL84 4.8 24.1 1.0
C B:GLU83 4.8 31.9 1.0
C B:VAL84 5.0 24.4 1.0

Reference:

N.Aggrawal, P.K.Mandal, N.Gautham, A.Chadha. Insights Into the Stereoselectivity of R-Specific Carbonyl Reductase From Candida Parapsilosis Atcc 7330: Biochemical Characterization and Crystal Structure Studies To Be Published.
Page generated: Tue Aug 20 00:45:58 2024

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