Iron in PDB 1s56: Crystal Structure of "Truncated" Hemoglobin N (Hbn) From Mycobacterium Tuberculosis, Soaked with Xe Atoms

The structure of Crystal Structure of "Truncated" Hemoglobin N (Hbn) From Mycobacterium Tuberculosis, Soaked with Xe Atoms, PDB code: 1s56 was solved by M.Milani, A.Pesce, Y.Ouellet, S.Dewilde, J.Friedman, 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 / 2.43
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	44.321, 61.959, 90.747, 90.00, 90.00, 90.00
R / Rfree (%)	19.4 / 27.7

The structure of Crystal Structure of "Truncated" Hemoglobin N (Hbn) From Mycobacterium Tuberculosis, Soaked with Xe Atoms also contains other interesting chemical elements:

Potassium	(K)	1 atom
Xenon	(Xe)	8 atoms

The binding sites of Iron atom in the Crystal Structure of "Truncated" Hemoglobin N (Hbn) From Mycobacterium Tuberculosis, Soaked with Xe Atoms (pdb code 1s56). 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 "Truncated" Hemoglobin N (Hbn) From Mycobacterium Tuberculosis, Soaked with Xe Atoms, PDB code: 1s56:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of "Truncated" Hemoglobin N (Hbn) From Mycobacterium Tuberculosis, Soaked with Xe Atoms


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 "Truncated" Hemoglobin N (Hbn) From Mycobacterium Tuberculosis, Soaked with Xe Atoms within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe144 b:28.2 occ:1.00 FE A:HEC144 0.0 28.2 1.0 NC A:HEC144 2.0 26.6 1.0 NB A:HEC144 2.0 27.5 1.0 NA A:HEC144 2.1 27.7 1.0 NE2 A:HIS81 2.1 26.8 1.0 ND A:HEC144 2.1 28.8 1.0 C1C A:HEC144 3.0 26.4 1.0 N A:CYN145 3.0 28.5 1.0 C4C A:HEC144 3.0 26.6 1.0 C4B A:HEC144 3.0 27.5 1.0 C1B A:HEC144 3.0 28.2 1.0 CE1 A:HIS81 3.1 28.0 1.0 C1D A:HEC144 3.1 28.5 1.0 C4A A:HEC144 3.1 27.9 1.0 C A:CYN145 3.1 28.8 1.0 C1A A:HEC144 3.1 27.0 1.0 C4D A:HEC144 3.2 28.4 1.0 CD2 A:HIS81 3.2 27.7 1.0 CHC A:HEC144 3.4 26.6 1.0 CHD A:HEC144 3.4 26.6 1.0 CHB A:HEC144 3.4 28.1 1.0 CHA A:HEC144 3.5 27.4 1.0 C2C A:HEC144 4.2 25.1 1.0 C3C A:HEC144 4.2 25.0 1.0 ND1 A:HIS81 4.2 26.7 1.0 C3B A:HEC144 4.2 27.3 1.0 C2B A:HEC144 4.2 27.9 1.0 CG A:HIS81 4.3 28.3 1.0 C3A A:HEC144 4.3 27.3 1.0 C2D A:HEC144 4.3 29.3 1.0 C2A A:HEC144 4.3 26.3 1.0 C3D A:HEC144 4.4 30.0 1.0 NE2 A:GLN58 4.8 20.7 1.0

Iron binding site 2 out of 2 in the Crystal Structure of "Truncated" Hemoglobin N (Hbn) From Mycobacterium Tuberculosis, Soaked with Xe Atoms


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 "Truncated" Hemoglobin N (Hbn) From Mycobacterium Tuberculosis, Soaked with Xe Atoms within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe144 b:27.1 occ:1.00 FE B:HEM144 0.0 27.1 1.0 NA B:HEM144 2.0 29.7 1.0 NE2 B:HIS81 2.0 24.5 1.0 NB B:HEM144 2.1 30.2 1.0 NC B:HEM144 2.1 29.5 1.0 ND B:HEM144 2.1 29.3 1.0 C B:CYN245 2.3 19.6 1.0 N B:CYN245 2.8 19.1 1.0 CE1 B:HIS81 2.9 24.7 1.0 C4A B:HEM144 2.9 30.0 1.0 C1B B:HEM144 3.0 31.6 1.0 C1D B:HEM144 3.0 28.5 1.0 C4C B:HEM144 3.0 28.8 1.0 C1A B:HEM144 3.1 30.2 1.0 CD2 B:HIS81 3.1 24.0 1.0 C4D B:HEM144 3.2 30.0 1.0 C4B B:HEM144 3.2 30.8 1.0 C1C B:HEM144 3.2 29.4 1.0 CHB B:HEM144 3.3 30.3 1.0 CHD B:HEM144 3.3 28.9 1.0 CHA B:HEM144 3.6 30.2 1.0 CHC B:HEM144 3.6 30.4 1.0 ND1 B:HIS81 4.0 23.9 1.0 C3A B:HEM144 4.2 29.7 1.0 CG B:HIS81 4.2 24.7 1.0 C2B B:HEM144 4.3 32.5 1.0 C2A B:HEM144 4.3 29.3 1.0 C3C B:HEM144 4.3 29.4 1.0 C2D B:HEM144 4.3 29.5 1.0 C3B B:HEM144 4.3 32.5 1.0 C2C B:HEM144 4.4 29.3 1.0 C3D B:HEM144 4.4 30.3 1.0 OE1 B:GLN58 4.6 33.7 1.0

M.Milani, A.Pesce, Y.Ouellet, S.Dewilde, J.Friedman, P.Ascenzi, M.Guertin, M.Bolognesi. Heme-Ligand Tunneling in Group I Truncated Hemoglobins J.Biol.Chem. V. 279 21520 2004.
ISSN: ISSN 0021-9258
PubMed: 15016811
DOI: 10.1074/JBC.M401320200