Magnesium in PDB 1r9z: Bacterial Cytosine Deaminase D314S Mutant.

The structure of Bacterial Cytosine Deaminase D314S Mutant., PDB code: 1r9z was solved by S.D.Mahan, G.C.Ireton, B.L.Stoddard, M.E.Black, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.88 / 1.32
Space group	H 3 2
Cell size a, b, c (Å), α, β, γ (°)	109.793, 109.793, 240.698, 90.00, 90.00, 120.00
R / Rfree (%)	16.6 / 17.3

The structure of Bacterial Cytosine Deaminase D314S Mutant. also contains other interesting chemical elements:

Iron

(Fe)

1 atom

The binding sites of Magnesium atom in the Bacterial Cytosine Deaminase D314S Mutant. (pdb code 1r9z). 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 Bacterial Cytosine Deaminase D314S Mutant., PDB code: 1r9z:

Magnesium binding site 1 out of 1 in the Bacterial Cytosine Deaminase D314S Mutant.


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Bacterial Cytosine Deaminase D314S Mutant. within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg502 b:25.4 occ:1.00 O A:HOH602 1.9 23.2 1.0 O A:HOH601 2.0 10.2 1.0 O A:HOH603 2.0 22.1 1.0 O A:HOH606 2.1 27.6 1.0 O A:HOH604 2.1 25.7 1.0 O A:HOH605 2.2 36.7 1.0 FE A:FE501 3.5 11.6 1.0 OD2 A:ASP313 3.9 17.6 1.0 OE2 A:GLU217 4.0 13.5 1.0 NE2 A:HIS63 4.0 10.0 1.0 OD1 A:ASP313 4.0 14.4 1.0 OE1 A:GLU217 4.2 13.0 1.0 O A:HOH912 4.2 27.2 1.0 NE2 A:HIS214 4.3 10.2 1.0 NE2 A:HIS246 4.3 8.0 1.0 CD2 A:HIS214 4.4 8.2 1.0 CG A:ASP313 4.4 13.4 1.0 O A:HOH1057 4.5 35.9 1.0 CE1 A:HIS63 4.5 11.0 1.0 CD A:GLU217 4.6 13.3 1.0 CD2 A:HIS63 4.6 10.2 1.0 CE1 A:HIS246 4.9 8.1 1.0

S.D.Mahan, G.C.Ireton, C.Knoeber, B.L.Stoddard, M.E.Black. Random Mutagenesis and Selection of Escherichia Coli Cytosine Deaminase For Cancer Gene Therapy. Protein Eng.Des.Sel. V. 17 625 2004.
ISSN: ISSN 1741-0126
PubMed: 15381761
DOI: 10.1093/PROTEIN/GZH074