Iron in PDB 3g77: Bacterial Cytosine Deaminase V152A/F316C/D317G Mutant

All present enzymatic activity of Bacterial Cytosine Deaminase V152A/F316C/D317G Mutant:
3.5.4.1;

The structure of Bacterial Cytosine Deaminase V152A/F316C/D317G Mutant, PDB code: 3g77 was solved by B.Stoddard, L.Zhao, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.13 / 1.80
Space group	H 3 2
Cell size a, b, c (Å), α, β, γ (°)	108.938, 108.938, 240.762, 90.00, 90.00, 120.00
R / Rfree (%)	17.1 / 19.9

The binding sites of Iron atom in the Bacterial Cytosine Deaminase V152A/F316C/D317G Mutant (pdb code 3g77). 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 V152A/F316C/D317G Mutant, PDB code: 3g77:

Iron binding site 1 out of 1 in the Bacterial Cytosine Deaminase V152A/F316C/D317G 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 V152A/F316C/D317G Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe502 b:19.2 occ:0.32 NE2 A:HIS63 1.9 10.2 1.0 NE2 A:HIS61 2.0 6.4 1.0 NE2 A:HIS214 2.5 8.3 1.0 OD2 A:ASP313 2.7 14.9 1.0 CD2 A:HIS63 2.8 8.1 1.0 CE1 A:HIS61 2.9 6.1 1.0 CD2 A:HIS61 3.0 6.6 1.0 CE1 A:HIS63 3.0 9.5 1.0 CE1 A:HIS214 3.4 8.3 1.0 CD2 A:HIS214 3.4 9.6 1.0 CG A:ASP313 3.6 12.8 1.0 NE2 A:HIS246 3.7 10.1 1.0 CG A:HIS63 4.0 7.2 1.0 ND1 A:HIS63 4.0 6.5 1.0 OD1 A:ASP313 4.0 13.2 1.0 ND1 A:HIS61 4.1 6.0 1.0 CG A:HIS61 4.1 4.8 1.0 ND1 A:HIS214 4.5 7.9 1.0 CD2 A:HIS246 4.5 8.3 1.0 CG A:HIS214 4.5 8.4 1.0 ND1 A:HIS122 4.6 9.5 1.0 CE1 A:HIS246 4.6 11.0 1.0 CB A:ASP313 4.8 9.0 1.0 O A:ASP313 4.9 8.9 1.0 CA A:ASP313 5.0 8.4 1.0 CG A:HIS122 5.0 6.5 1.0

M.Fuchita, A.Ardiani, L.Zhao, K.Serve, B.L.Stoddard, M.E.Black. Bacterial Cytosine Deaminase Mutants Created By Molecular Engineering Show Improved 5-Fluorocytosine-Mediated Cell Killing in Vitro and in Vivo. Cancer Res. V. 69 4791 2009.
ISSN: ISSN 0008-5472
PubMed: 19487291
DOI: 10.1158/0008-5472.CAN-09-0615