Magnesium in PDB 7ypd: Discovery and Characterization of A New Carbonyl Reductase From Rhodotorula Toluroides Reducing Fluoroketones, and X-Ray Analysis of the Variant By Rational Engineering

The structure of Discovery and Characterization of A New Carbonyl Reductase From Rhodotorula Toluroides Reducing Fluoroketones, and X-Ray Analysis of the Variant By Rational Engineering, PDB code: 7ypd was solved by Y.Watanabe, Y.Asano, M.Hibi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.56 / 1.27
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	43.362, 65.084, 79.769, 90, 99.83, 90
R / Rfree (%)	17.5 / 20

The binding sites of Magnesium atom in the Discovery and Characterization of A New Carbonyl Reductase From Rhodotorula Toluroides Reducing Fluoroketones, and X-Ray Analysis of the Variant By Rational Engineering (pdb code 7ypd). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the Discovery and Characterization of A New Carbonyl Reductase From Rhodotorula Toluroides Reducing Fluoroketones, and X-Ray Analysis of the Variant By Rational Engineering, PDB code: 7ypd:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the Discovery and Characterization of A New Carbonyl Reductase From Rhodotorula Toluroides Reducing Fluoroketones, and X-Ray Analysis of the Variant By Rational Engineering


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Discovery and Characterization of A New Carbonyl Reductase From Rhodotorula Toluroides Reducing Fluoroketones, and X-Ray Analysis of the Variant By Rational Engineering within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg301 b:20.7 occ:1.00 O B:HOH644 2.0 24.8 1.0 O B:HOH471 2.1 16.3 1.0 O B:HOH475 2.1 21.0 1.0 O B:HOH450 2.2 20.8 1.0 O B:HOH585 2.2 27.1 1.0 O B:HOH659 4.0 40.2 1.0 O B:HOH546 4.1 31.0 1.0 O B:GLN33 4.1 15.9 1.0 O B:HOH536 4.1 33.5 1.0 O B:HOH418 4.3 34.0 1.0 O B:ARG34 4.4 17.8 1.0 O B:THR59 4.4 15.8 1.0 O B:ALA32 4.5 13.9 1.0 O B:HOH555 4.5 32.3 1.0 OE1 B:GLN33 4.5 30.4 1.0 C B:GLN33 4.5 16.4 1.0 CE B:LYS61 4.6 21.3 1.0 O B:HOH689 4.7 42.2 1.0 CA B:GLN33 4.7 12.8 1.0 CA B:THR59 4.9 14.8 1.0

Magnesium binding site 2 out of 3 in the Discovery and Characterization of A New Carbonyl Reductase From Rhodotorula Toluroides Reducing Fluoroketones, and X-Ray Analysis of the Variant By Rational Engineering


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Discovery and Characterization of A New Carbonyl Reductase From Rhodotorula Toluroides Reducing Fluoroketones, and X-Ray Analysis of the Variant By Rational Engineering within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg302 b:48.1 occ:1.00 O B:HOH473 2.1 29.4 1.0 O B:HOH423 2.2 37.5 1.0 OE1 B:GLU72 2.3 30.0 1.0 O B:HOH614 2.3 39.9 1.0 CD B:GLU72 3.2 30.9 1.0 OE2 B:GLU72 3.5 27.4 1.0 O B:ALA70 4.0 20.5 1.0 O B:HOH492 4.2 32.5 1.0 N B:GLU72 4.5 20.4 1.0 OE1 B:GLU73 4.6 31.6 1.0 CG B:GLU72 4.6 24.6 1.0 CA B:ASN71 4.9 15.8 1.0 CB B:GLU72 4.9 27.6 1.0 OE2 B:GLU73 5.0 55.7 1.0

Magnesium binding site 3 out of 3 in the Discovery and Characterization of A New Carbonyl Reductase From Rhodotorula Toluroides Reducing Fluoroketones, and X-Ray Analysis of the Variant By Rational Engineering


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Discovery and Characterization of A New Carbonyl Reductase From Rhodotorula Toluroides Reducing Fluoroketones, and X-Ray Analysis of the Variant By Rational Engineering within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg301 b:33.8 occ:1.00 O A:HOH520 2.0 28.5 1.0 O A:HOH602 2.1 37.9 1.0 O A:HOH427 2.2 35.0 1.0 O A:GLN33 3.8 27.5 1.0 C A:GLN33 4.1 27.1 1.0 CA A:GLN33 4.2 24.8 1.0 O A:ALA32 4.3 27.2 1.0 O A:ARG34 4.4 27.1 1.0 O A:HOH483 4.5 23.9 1.0 CE A:LYS61 4.6 34.5 1.0 O A:HOH536 4.6 28.1 1.0 CB A:GLN33 4.9 27.4 1.0 N A:ARG34 4.9 22.3 1.0 O A:THR59 5.0 33.7 1.0

Y.Watanabe, Y.Asano, M.Hibi. Discovery and Characterization of A New Carbonyl Reductase From Rhodotorula Toluroides Reducing Fluoroketones, and X-Ray Analysis of the Variant By Rational Engineering To Be Published.