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

Protein crystallography data

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

Other elements in 2w3g:

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

Iron Binding Sites:

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 2w3g

Go back to Iron Binding Sites List in 2w3g
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 2w3g

Go back to Iron Binding Sites List in 2w3g
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

Reference:

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
Page generated: Thu Jul 17 04:51:42 2025

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