Iron in PDB 1idr: Crystal Structure of the Truncated-Hemoglobin-N From Mycobacterium Tuberculosis

The structure of Crystal Structure of the Truncated-Hemoglobin-N From Mycobacterium Tuberculosis, PDB code: 1idr was solved by M.Milani, A.Pesce, P.Ascenzi, M.Guertin, M.Bolognesi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 1.90
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	44.800, 62.248, 91.020, 90.00, 90.00, 90.00
R / Rfree (%)	18.9 / 25

The binding sites of Iron atom in the Crystal Structure of the Truncated-Hemoglobin-N From Mycobacterium Tuberculosis (pdb code 1idr). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Crystal Structure of the Truncated-Hemoglobin-N From Mycobacterium Tuberculosis, PDB code: 1idr:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of the Truncated-Hemoglobin-N From Mycobacterium Tuberculosis


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure of the Truncated-Hemoglobin-N From Mycobacterium Tuberculosis within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe144 b:25.8 occ:1.00 FE A:HEM144 0.0 25.8 1.0 ND A:HEM144 2.0 24.9 1.0 NB A:HEM144 2.0 25.1 1.0 NA A:HEM144 2.0 24.7 1.0 NC A:HEM144 2.0 22.3 1.0 NE2 A:HIS81 2.1 24.7 1.0 O1 A:OXY145 2.2 20.0 1.0 C4D A:HEM144 3.0 26.1 1.0 C1B A:HEM144 3.0 31.0 1.0 O2 A:OXY145 3.0 69.0 1.0 C1C A:HEM144 3.0 20.1 1.0 C1D A:HEM144 3.0 27.0 1.0 C4B A:HEM144 3.0 29.3 1.0 C1A A:HEM144 3.0 22.2 1.0 C4C A:HEM144 3.0 22.2 1.0 C4A A:HEM144 3.0 19.3 1.0 CE1 A:HIS81 3.0 24.5 1.0 CD2 A:HIS81 3.1 24.0 1.0 CHC A:HEM144 3.4 28.3 1.0 CHA A:HEM144 3.4 25.1 1.0 CHB A:HEM144 3.4 23.6 1.0 CHD A:HEM144 3.4 24.7 1.0 ND1 A:HIS81 4.2 29.2 1.0 C3D A:HEM144 4.2 36.4 1.0 C2B A:HEM144 4.2 25.3 1.0 C2D A:HEM144 4.2 30.9 1.0 CG A:HIS81 4.2 30.3 1.0 C3B A:HEM144 4.3 31.4 1.0 C2A A:HEM144 4.3 22.9 1.0 C2C A:HEM144 4.3 20.6 1.0 C3A A:HEM144 4.3 28.2 1.0 C3C A:HEM144 4.3 21.4 1.0 NE2 A:GLN58 4.8 29.6 1.0

Iron binding site 2 out of 2 in the Crystal Structure of the Truncated-Hemoglobin-N From Mycobacterium Tuberculosis


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure of the Truncated-Hemoglobin-N From Mycobacterium Tuberculosis within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe144 b:25.8 occ:1.00 FE B:HEM144 0.0 25.8 1.0 NB B:HEM144 1.9 24.9 1.0 NA B:HEM144 2.0 24.3 1.0 NC B:HEM144 2.0 29.8 1.0 ND B:HEM144 2.0 25.3 1.0 O1 B:OXY145 2.1 22.9 1.0 NE2 B:HIS81 2.1 23.9 1.0 O2 B:OXY145 2.8 42.8 1.0 C1B B:HEM144 3.0 28.4 1.0 C4C B:HEM144 3.0 24.1 1.0 C1D B:HEM144 3.0 22.1 1.0 C4A B:HEM144 3.0 21.7 1.0 CE1 B:HIS81 3.0 26.4 1.0 C1A B:HEM144 3.0 22.8 1.0 C4B B:HEM144 3.0 27.5 1.0 C4D B:HEM144 3.0 23.0 1.0 C1C B:HEM144 3.1 24.0 1.0 CD2 B:HIS81 3.2 22.0 1.0 CHB B:HEM144 3.4 24.8 1.0 CHD B:HEM144 3.4 26.9 1.0 CHA B:HEM144 3.4 24.6 1.0 CHC B:HEM144 3.5 23.0 1.0 ND1 B:HIS81 4.2 26.6 1.0 C2B B:HEM144 4.2 31.0 1.0 C3C B:HEM144 4.2 24.8 1.0 C3B B:HEM144 4.2 25.1 1.0 C3A B:HEM144 4.2 22.5 1.0 C2D B:HEM144 4.3 25.7 1.0 C2C B:HEM144 4.3 22.9 1.0 C2A B:HEM144 4.3 27.2 1.0 CG B:HIS81 4.3 25.2 1.0 C3D B:HEM144 4.3 25.9 1.0 NE2 B:GLN58 4.9 38.9 1.0 OH B:TYR33 5.0 36.2 1.0

M.Milani, A.Pesce, Y.Ouellet, P.Ascenzi, M.Guertin, M.Bolognesi. Mycobacterium Tuberculosis Hemoglobin N Displays A Protein Tunnel Suited For O2 Diffusion to the Heme. Embo J. V. 20 3902 2001.
ISSN: ISSN 0261-4189
PubMed: 11483493
DOI: 10.1093/EMBOJ/20.15.3902