Iron in PDB 1r9y: Bacterial Cytosine Deaminase D314A Mutant.

All present enzymatic activity of Bacterial Cytosine Deaminase D314A Mutant.:
3.5.4.1;

The structure of Bacterial Cytosine Deaminase D314A Mutant., PDB code: 1r9y 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)	19.95 / 1.57
Space group	H 3 2
Cell size a, b, c (Å), α, β, γ (°)	109.574, 109.574, 240.090, 90.00, 90.00, 120.00
R / Rfree (%)	17.3 / 18.6

The structure of Bacterial Cytosine Deaminase D314A Mutant. also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Iron atom in the Bacterial Cytosine Deaminase D314A Mutant. (pdb code 1r9y). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total only one binding site of Iron was determined in the Bacterial Cytosine Deaminase D314A Mutant., PDB code: 1r9y:

Iron binding site 1 out of 1 in the Bacterial Cytosine Deaminase D314A Mutant.


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Bacterial Cytosine Deaminase D314A Mutant. within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe501 b:18.7 occ:1.00 O A:HOH604 1.9 13.7 1.0 NE2 A:HIS63 2.1 13.6 1.0 NE2 A:HIS61 2.1 8.6 1.0 NE2 A:HIS214 2.2 12.8 1.0 CE1 A:HIS61 3.0 8.5 1.0 CD2 A:HIS63 3.0 13.8 1.0 CE1 A:HIS63 3.1 13.6 1.0 CE1 A:HIS214 3.1 10.1 1.0 OD1 A:ASP313 3.1 19.3 1.0 CD2 A:HIS61 3.2 8.8 1.0 CD2 A:HIS214 3.2 11.5 1.0 MG A:MG502 3.5 20.1 1.0 O A:HOH605 3.6 26.4 1.0 NE2 A:HIS246 3.7 10.5 1.0 CG A:ASP313 3.9 15.4 1.0 O A:HOH602 4.0 21.0 1.0 OD2 A:ASP313 4.1 14.4 1.0 ND1 A:HIS61 4.1 7.7 1.0 O A:HOH601 4.1 18.0 1.0 ND1 A:HIS63 4.2 12.3 1.0 CG A:HIS63 4.2 12.7 1.0 ND1 A:HIS214 4.2 11.3 1.0 CG A:HIS61 4.3 7.1 1.0 CG A:HIS214 4.3 10.1 1.0 CD2 A:HIS246 4.5 11.5 1.0 O A:HOH603 4.6 19.9 1.0 CD2 A:HIS122 4.6 8.7 1.0 CE1 A:HIS246 4.7 12.8 1.0 CG A:HIS122 4.8 8.3 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