Iron in PDB 2w3g: Air-Oxidized Structure of the First Gaf Domain of Mycobacterium Tuberculosis Doss

The structure of Air-Oxidized Structure of the First Gaf Domain of Mycobacterium Tuberculosis Doss, PDB code: 2w3g was solved by B.S.Kang, H.Y.Cho, H.J.Cho, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	27.92 / 1.40
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	36.351, 86.801, 100.791, 90.00, 90.00, 90.00
R / Rfree (%)	19.203 / 21.743

The structure of Air-Oxidized Structure of the First Gaf Domain of Mycobacterium Tuberculosis Doss also contains other interesting chemical elements:

Calcium

(Ca)

1 atom

The binding sites of Iron atom in the Air-Oxidized Structure of the First Gaf Domain of Mycobacterium Tuberculosis Doss (pdb code 2w3g). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Air-Oxidized Structure of the First Gaf Domain of Mycobacterium Tuberculosis Doss, PDB code: 2w3g:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Air-Oxidized Structure of the First Gaf Domain of Mycobacterium Tuberculosis Doss


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Air-Oxidized Structure of the First Gaf Domain of Mycobacterium Tuberculosis Doss within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe500 b:12.5 occ:1.00 FE A:HEM500 0.0 12.5 1.0 NC A:HEM500 2.0 11.8 1.0 NB A:HEM500 2.0 12.2 1.0 ND A:HEM500 2.1 12.5 1.0 NA A:HEM500 2.1 13.3 1.0 O A:HOH2144 2.1 15.4 1.0 NE2 A:HIS149 2.1 12.3 1.0 C1B A:HEM500 3.0 13.5 1.0 C1D A:HEM500 3.0 11.2 1.0 C4A A:HEM500 3.0 14.5 1.0 C4C A:HEM500 3.0 10.6 1.0 C4B A:HEM500 3.1 13.2 1.0 CD2 A:HIS149 3.1 14.6 1.0 C1C A:HEM500 3.1 12.0 1.0 C4D A:HEM500 3.1 12.2 1.0 C1A A:HEM500 3.1 13.5 1.0 CE1 A:HIS149 3.1 14.4 1.0 CHB A:HEM500 3.4 13.0 1.0 CHA A:HEM500 3.4 13.3 1.0 CHC A:HEM500 3.4 13.9 1.0 CHD A:HEM500 3.4 13.9 1.0 O A:HOH2116 4.1 28.9 1.0 ND1 A:HIS149 4.2 13.9 1.0 CG A:HIS149 4.2 14.6 1.0 C3B A:HEM500 4.3 11.6 1.0 C3C A:HEM500 4.3 12.4 1.0 C3A A:HEM500 4.3 15.1 1.0 C2B A:HEM500 4.3 12.3 1.0 C2D A:HEM500 4.3 12.8 1.0 C2C A:HEM500 4.3 12.1 1.0 C3D A:HEM500 4.3 13.8 1.0 C2A A:HEM500 4.3 15.5 1.0 CZ A:PHE98 4.9 16.8 1.0 CB A:PRO115 5.0 15.3 1.0

Iron binding site 2 out of 2 in the Air-Oxidized Structure of the First Gaf Domain of Mycobacterium Tuberculosis Doss


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Air-Oxidized Structure of the First Gaf Domain of Mycobacterium Tuberculosis Doss within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe502 b:14.9 occ:1.00 FE B:HEM502 0.0 14.9 1.0 NA B:HEM502 2.0 14.8 1.0 NC B:HEM502 2.0 13.8 1.0 NB B:HEM502 2.0 13.8 1.0 ND B:HEM502 2.1 13.4 1.0 NE2 B:HIS149 2.1 15.1 1.0 O B:HOH2142 2.2 21.5 1.0 C4A B:HEM502 3.0 14.9 1.0 C4B B:HEM502 3.1 13.7 1.0 CD2 B:HIS149 3.1 16.0 1.0 C4D B:HEM502 3.1 13.3 1.0 C1C B:HEM502 3.1 14.7 1.0 C1D B:HEM502 3.1 16.2 1.0 C1B B:HEM502 3.1 14.5 1.0 C1A B:HEM502 3.1 17.0 1.0 C4C B:HEM502 3.1 14.8 1.0 CE1 B:HIS149 3.1 13.0 1.0 CHC B:HEM502 3.4 15.5 1.0 CHD B:HEM502 3.4 15.3 1.0 CHB B:HEM502 3.4 12.6 1.0 CHA B:HEM502 3.4 15.8 1.0 ND1 B:HIS149 4.2 14.1 1.0 CG B:HIS149 4.2 16.3 1.0 C2B B:HEM502 4.3 14.4 1.0 C2D B:HEM502 4.3 15.9 1.0 C3B B:HEM502 4.3 13.5 1.0 C3A B:HEM502 4.3 20.1 1.0 C3C B:HEM502 4.3 16.1 1.0 C3D B:HEM502 4.3 18.2 1.0 C2C B:HEM502 4.3 17.1 1.0 C2A B:HEM502 4.3 26.1 1.0 O B:HOH2144 4.5 26.2 1.0

H.Y.Cho, H.J.Cho, Y.M.Kim, J.I.Oh, B.S.Kang. Structural Insight Into the Heme-Based Redox Sensing By Doss From Mycobacterium Tuberculosis. J.Biol.Chem. V. 284 13057 2009.
ISSN: ISSN 0021-9258
PubMed: 19276084
DOI: 10.1074/JBC.M808905200