Iron in PDB 3aq9: Crystal Structure of Truncated Hemoglobin From Tetrahymena Pyriformis, Q50E Mutant, Fe(III) Form

The structure of Crystal Structure of Truncated Hemoglobin From Tetrahymena Pyriformis, Q50E Mutant, Fe(III) Form, PDB code: 3aq9 was solved by J.Igarashi, K.Kobayashi, A.Matsuoka, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.64 / 1.74
Space group	P 65 2 2
Cell size a, b, c (Å), α, β, γ (°)	69.125, 69.125, 352.579, 90.00, 90.00, 120.00
R / Rfree (%)	18.7 / 20.7

The binding sites of Iron atom in the Crystal Structure of Truncated Hemoglobin From Tetrahymena Pyriformis, Q50E Mutant, Fe(III) Form (pdb code 3aq9). 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 From Tetrahymena Pyriformis, Q50E Mutant, Fe(III) Form, PDB code: 3aq9:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of Truncated Hemoglobin From Tetrahymena Pyriformis, Q50E Mutant, Fe(III) Form


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 From Tetrahymena Pyriformis, Q50E Mutant, Fe(III) Form within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe144 b:24.5 occ:1.00 FE A:HEM144 0.0 24.5 1.0 NB A:HEM144 1.9 24.9 1.0 ND A:HEM144 1.9 26.0 1.0 NA A:HEM144 2.0 23.9 1.0 NC A:HEM144 2.0 23.1 1.0 NE2 A:HIS73 2.1 25.1 1.0 O A:HOH122 2.2 29.5 1.0 C4A A:HEM144 3.0 25.0 1.0 C1B A:HEM144 3.0 24.1 1.0 CE1 A:HIS73 3.0 25.1 1.0 C4C A:HEM144 3.0 24.8 1.0 C1A A:HEM144 3.0 23.5 1.0 C4D A:HEM144 3.0 23.1 1.0 CD2 A:HIS73 3.0 27.5 1.0 C1D A:HEM144 3.0 24.1 1.0 C4B A:HEM144 3.0 23.5 1.0 C1C A:HEM144 3.1 22.9 1.0 CHB A:HEM144 3.4 25.4 1.0 CHD A:HEM144 3.4 23.5 1.0 CHA A:HEM144 3.4 23.2 1.0 CHC A:HEM144 3.5 22.0 1.0 ND1 A:HIS73 4.1 23.5 1.0 CG A:HIS73 4.2 25.2 1.0 C3A A:HEM144 4.2 26.6 1.0 C3C A:HEM144 4.2 22.8 1.0 C2A A:HEM144 4.2 26.3 1.0 C3D A:HEM144 4.3 25.0 1.0 C2B A:HEM144 4.3 24.8 1.0 C2C A:HEM144 4.3 23.8 1.0 C3B A:HEM144 4.3 24.7 1.0 C2D A:HEM144 4.3 23.2 1.0 NE2 A:GLN46 4.5 31.6 1.0 O A:HOH192 4.5 36.0 1.0

Iron binding site 2 out of 2 in the Crystal Structure of Truncated Hemoglobin From Tetrahymena Pyriformis, Q50E Mutant, Fe(III) Form


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 From Tetrahymena Pyriformis, Q50E Mutant, Fe(III) Form within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe144 b:23.3 occ:1.00 FE B:HEM144 0.0 23.3 1.0 NB B:HEM144 1.8 22.9 1.0 ND B:HEM144 1.8 26.5 1.0 NC B:HEM144 2.0 24.4 1.0 NE2 B:HIS73 2.0 28.0 1.0 NA B:HEM144 2.1 27.0 1.0 O B:HOH123 2.2 37.2 1.0 C1B B:HEM144 2.9 26.4 1.0 C4C B:HEM144 3.0 31.1 1.0 CE1 B:HIS73 3.0 27.8 1.0 C4B B:HEM144 3.0 25.1 1.0 C1D B:HEM144 3.0 27.8 1.0 C4A B:HEM144 3.0 28.1 1.0 C1C B:HEM144 3.0 25.4 1.0 CD2 B:HIS73 3.1 27.6 1.0 C1A B:HEM144 3.1 24.3 1.0 C4D B:HEM144 3.1 22.1 1.0 CHB B:HEM144 3.3 27.1 1.0 CHD B:HEM144 3.4 27.3 1.0 CHC B:HEM144 3.5 24.9 1.0 CHA B:HEM144 3.6 25.3 1.0 C2B B:HEM144 4.1 26.2 1.0 C3C B:HEM144 4.1 27.2 1.0 ND1 B:HIS73 4.1 27.5 1.0 C3B B:HEM144 4.1 25.8 1.0 CG B:HIS73 4.2 26.7 1.0 C2C B:HEM144 4.2 25.9 1.0 O B:HOH177 4.2 45.8 1.0 C3A B:HEM144 4.2 28.1 1.0 C2D B:HEM144 4.3 26.6 1.0 C2A B:HEM144 4.4 27.5 1.0 C3D B:HEM144 4.5 29.0 1.0 NE2 B:GLN46 4.6 39.9 1.0

J.Igarashi, K.Kobayashi, A.Matsuoka. A Hydrogen-Bonding Network Formed By the B10-E7-E11 Residues of A Truncated Hemoglobin From Tetrahymena Pyriformis Is Critical For Stability of Bound Oxygen and Nitric Oxide Detoxification. J.Biol.Inorg.Chem. V. 16 599 2011.
ISSN: ISSN 0949-8257
PubMed: 21298303
DOI: 10.1007/S00775-011-0761-3