Iron in PDB 2w3e: Oxidized Structure of the First Gaf Domain of Mycobacterium Tuberculosis Doss

The structure of Oxidized Structure of the First Gaf Domain of Mycobacterium Tuberculosis Doss, PDB code: 2w3e 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)	22.56 / 1.60
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	36.000, 86.865, 100.642, 90.00, 90.00, 90.00
R / Rfree (%)	19.957 / 23.404

The structure of 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 Oxidized Structure of the First Gaf Domain of Mycobacterium Tuberculosis Doss (pdb code 2w3e). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Oxidized Structure of the First Gaf Domain of Mycobacterium Tuberculosis Doss, PDB code: 2w3e:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the 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 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:9.7 occ:1.00 FE A:HEM500 0.0 9.7 1.0 NC A:HEM500 2.0 6.5 1.0 NB A:HEM500 2.0 8.8 1.0 NA A:HEM500 2.1 8.7 1.0 ND A:HEM500 2.1 9.9 1.0 NE2 A:HIS149 2.2 8.6 1.0 O A:HOH2135 2.2 9.8 1.0 C4C A:HEM500 3.0 6.6 1.0 C1C A:HEM500 3.0 10.7 1.0 C4B A:HEM500 3.0 7.9 1.0 C1B A:HEM500 3.1 11.2 1.0 CD2 A:HIS149 3.1 11.7 1.0 C4A A:HEM500 3.1 9.2 1.0 C1D A:HEM500 3.1 9.0 1.0 C1A A:HEM500 3.1 10.2 1.0 C4D A:HEM500 3.1 10.2 1.0 CE1 A:HIS149 3.2 10.9 1.0 CHB A:HEM500 3.4 10.4 1.0 CHC A:HEM500 3.4 10.8 1.0 CHD A:HEM500 3.4 9.4 1.0 CHA A:HEM500 3.5 9.7 1.0 O A:HOH2108 4.0 21.3 1.0 CG A:HIS149 4.2 10.2 1.0 ND1 A:HIS149 4.3 9.1 1.0 C3B A:HEM500 4.3 9.6 1.0 C3C A:HEM500 4.3 7.8 1.0 C2B A:HEM500 4.3 10.3 1.0 C2C A:HEM500 4.3 10.0 1.0 C3A A:HEM500 4.3 13.1 1.0 C2A A:HEM500 4.3 12.1 1.0 C3D A:HEM500 4.3 8.1 1.0 C2D A:HEM500 4.3 8.6 1.0 CZ A:PHE98 4.9 16.8 1.0 CB A:PRO115 5.0 13.2 1.0

Iron binding site 2 out of 2 in the 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 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:11.2 occ:1.00 FE B:HEM502 0.0 11.2 1.0 NA B:HEM502 2.0 9.3 1.0 NB B:HEM502 2.1 10.1 1.0 NC B:HEM502 2.1 11.4 1.0 ND B:HEM502 2.1 11.3 1.0 NE2 B:HIS149 2.1 9.8 1.0 O B:HOH2092 2.3 16.2 1.0 C4A B:HEM502 3.0 12.0 1.0 C1D B:HEM502 3.1 12.4 1.0 C1B B:HEM502 3.1 8.8 1.0 C1A B:HEM502 3.1 18.2 1.0 CD2 B:HIS149 3.1 8.8 1.0 C4B B:HEM502 3.1 10.6 1.0 C4C B:HEM502 3.1 11.2 1.0 C4D B:HEM502 3.1 9.6 1.0 CE1 B:HIS149 3.1 11.5 1.0 C1C B:HEM502 3.1 12.9 1.0 CHB B:HEM502 3.4 9.8 1.0 CHD B:HEM502 3.4 13.8 1.0 CHC B:HEM502 3.5 10.8 1.0 CHA B:HEM502 3.5 13.4 1.0 C3A B:HEM502 4.2 14.6 1.0 ND1 B:HIS149 4.2 12.2 1.0 CG B:HIS149 4.3 10.6 1.0 C2A B:HEM502 4.3 14.1 1.0 C2B B:HEM502 4.3 9.9 1.0 C2D B:HEM502 4.3 11.1 1.0 C3B B:HEM502 4.3 8.2 1.0 C3C B:HEM502 4.4 9.2 1.0 C3D B:HEM502 4.4 12.5 1.0 C2C B:HEM502 4.4 12.4 1.0 O B:HOH2020 4.5 17.7 1.0 OH B:TYR171 4.8 16.3 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