Magnesium in PDB 2qdy: Crystal Structure of Fe-Type Nhase From Rhodococcus Erythropolis AJ270

All present enzymatic activity of Crystal Structure of Fe-Type Nhase From Rhodococcus Erythropolis AJ270:
4.2.1.84;

The structure of Crystal Structure of Fe-Type Nhase From Rhodococcus Erythropolis AJ270, PDB code: 2qdy was solved by L.Song, J.Shi, Z.Xue, M.-X.Wang, S.Qian, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.30 / 1.30
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	114.064, 60.068, 81.761, 90.00, 125.15, 90.00
R / Rfree (%)	12.9 / 15.7

The structure of Crystal Structure of Fe-Type Nhase From Rhodococcus Erythropolis AJ270 also contains other interesting chemical elements:

Iron	(Fe)	1 atom
Chlorine	(Cl)	4 atoms

The binding sites of Magnesium atom in the Crystal Structure of Fe-Type Nhase From Rhodococcus Erythropolis AJ270 (pdb code 2qdy). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the Crystal Structure of Fe-Type Nhase From Rhodococcus Erythropolis AJ270, PDB code: 2qdy:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the Crystal Structure of Fe-Type Nhase From Rhodococcus Erythropolis AJ270


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 Fe-Type Nhase From Rhodococcus Erythropolis AJ270 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg2007 b:27.6 occ:1.00 O A:HOH2238 2.2 33.5 1.0 O A:HOH2179 3.3 27.5 1.0 O A:GLY181 3.9 18.0 1.0 O A:HOH2067 4.0 22.5 1.0 OE1 A:GLN186 4.3 20.3 1.0 C A:GLY181 4.8 15.9 1.0 NE2 A:GLN186 4.9 27.4 1.0

Magnesium binding site 2 out of 3 in the Crystal Structure of Fe-Type Nhase From Rhodococcus Erythropolis AJ270


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of Fe-Type Nhase From Rhodococcus Erythropolis AJ270 within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg2005 b:14.3 occ:1.00 O B:HOH2059 1.9 15.2 1.0 O B:HOH2073 2.0 12.6 1.0 O B:HOH2064 2.0 14.7 1.0 O B:HOH2224 2.1 16.1 1.0 O B:HOH2020 2.3 10.2 1.0 O B:HOH2091 2.6 18.9 0.5 O B:HOH2077 4.1 13.7 1.0 O B:ASP6 4.4 7.2 1.0 OD2 B:ASP6 4.4 7.0 1.0 O B:HOH2053 4.4 11.9 1.0 CB B:ALA144 4.4 8.5 1.0 O B:ASP2 4.5 7.4 1.0 O B:GLY3 4.5 6.7 1.0 CB B:ASP6 4.5 6.3 1.0 CB B:ASP2 4.6 6.6 1.0 C B:ASP2 4.6 7.2 1.0 OD1 B:ASP2 4.6 8.7 1.0 CG B:ASP6 4.7 6.3 1.0 CG B:ASP2 4.7 7.7 1.0 CA B:ASP2 4.7 6.3 1.0

Magnesium binding site 3 out of 3 in the Crystal Structure of Fe-Type Nhase From Rhodococcus Erythropolis AJ270


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Crystal Structure of Fe-Type Nhase From Rhodococcus Erythropolis AJ270 within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg2006 b:33.2 occ:1.00 O B:HOH2214 1.8 33.4 1.0 O B:HOH2227 2.1 27.9 1.0 O B:HOH2252 2.3 32.2 1.0 O2 B:GOL1600 3.6 40.7 1.0 O3 B:GOL1600 3.6 42.8 1.0 OE1 B:GLU96 4.2 12.6 1.0 C3 B:GOL1600 4.4 42.2 1.0 O B:HOH2071 4.4 16.6 1.0 O B:HOH2155 4.5 27.4 1.0 C2 B:GOL1600 4.6 40.4 1.0

L.Song, M.Wang, J.Shi, Z.Xue, M.-X.Wang, S.Qian. High Resolution X-Ray Molecular Structure of the Nitrile Hydratase From Rhodococcus Erythropolis AJ270 Reveals Posttranslational Oxidation of Two Cysteines Into Sulfinic Acids and A Novel Biocatalytic Nitrile Hydration Mechanism Biochem.Biophys.Res.Commun. V. 362 319 2007.
ISSN: ISSN 0006-291X
PubMed: 17716629
DOI: 10.1016/J.BBRC.2007.07.184