Iron in PDB 3ee4: R2-Like Ligand Binding Mn/Fe Oxidase From M. Tuberculosis

All present enzymatic activity of R2-Like Ligand Binding Mn/Fe Oxidase From M. Tuberculosis:
1.17.4.1;

The structure of R2-Like Ligand Binding Mn/Fe Oxidase From M. Tuberculosis, PDB code: 3ee4 was solved by C.S.Andersson, T.A.Jones, M.Hogbom, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	36.85 / 1.90
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	54.565, 54.565, 176.651, 90.00, 90.00, 120.00
R / Rfree (%)	14.9 / 17.7

The structure of R2-Like Ligand Binding Mn/Fe Oxidase From M. Tuberculosis also contains other interesting chemical elements:

Manganese

(Mn)

1 atom

The binding sites of Iron atom in the R2-Like Ligand Binding Mn/Fe Oxidase From M. Tuberculosis (pdb code 3ee4). 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 R2-Like Ligand Binding Mn/Fe Oxidase From M. Tuberculosis, PDB code: 3ee4:

Iron binding site 1 out of 1 in the R2-Like Ligand Binding Mn/Fe Oxidase From M. Tuberculosis


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of R2-Like Ligand Binding Mn/Fe Oxidase From M. Tuberculosis within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe317 b:19.9 occ:1.00 OE1 A:GLU202 1.9 22.8 1.0 OE2 A:GLU167 2.0 15.6 1.0 OE2 A:GLU101 2.1 16.4 1.0 O A:HOH343 2.1 16.2 1.0 O1 A:MYR315 2.2 22.3 1.0 ND1 A:HIS205 2.3 13.6 1.0 CD A:GLU101 3.1 16.0 1.0 CD A:GLU167 3.1 26.1 1.0 CD A:GLU202 3.1 32.8 1.0 CE1 A:HIS205 3.2 11.1 1.0 C1 A:MYR315 3.3 25.9 1.0 OE1 A:GLU101 3.4 16.6 1.0 CG A:HIS205 3.4 13.0 1.0 O2 A:MYR315 3.5 27.9 1.0 MN A:MN3316 3.6 15.6 1.0 CG A:GLU167 3.6 20.4 1.0 OE2 A:GLU202 3.6 34.8 1.0 CB A:HIS205 3.8 13.3 1.0 CE2 A:PHE97 3.9 19.2 1.0 OE1 A:GLU167 4.2 24.2 1.0 CG A:GLU202 4.3 24.6 1.0 CZ A:PHE97 4.4 19.9 1.0 NE2 A:HIS205 4.4 12.5 1.0 CG A:GLU101 4.4 14.2 1.0 CD2 A:HIS205 4.5 11.5 1.0 CE2 A:TYR162 4.6 24.2 1.0 C2 A:MYR315 4.6 21.9 1.0 CB A:GLU167 4.7 17.6 1.0 CD2 A:PHE97 4.8 18.3 1.0 CA A:GLU202 4.8 17.0 1.0 CB A:GLU202 4.9 18.8 1.0 CE1 A:HIS104 4.9 10.6 1.0 CG2 A:VAL71 5.0 12.8 1.0

C.S.Andersson, C.S.Andersson, T.A.Jones, M.Hogbom. N/A N/A.
ISSN: ISSN 0027-8424
PubMed: 19321420
DOI: 10.1073/PNAS.0812971106