Iron in PDB 3aq5: Crystal Structure of Truncated Hemoglobin From Tetrahymena Pyriformis, Fe(II)-O2 Form

The structure of Crystal Structure of Truncated Hemoglobin From Tetrahymena Pyriformis, Fe(II)-O2 Form, PDB code: 3aq5 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)	33.27 / 1.78
Space group	P 65 2 2
Cell size a, b, c (Å), α, β, γ (°)	69.355, 69.355, 353.761, 90.00, 90.00, 120.00
R / Rfree (%)	18.7 / 20.9

The binding sites of Iron atom in the Crystal Structure of Truncated Hemoglobin From Tetrahymena Pyriformis, Fe(II)-O2 Form (pdb code 3aq5). 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, Fe(II)-O2 Form, PDB code: 3aq5:
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, Fe(II)-O2 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, Fe(II)-O2 Form within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe144 b:23.1 occ:1.00 FE A:HEM144 0.0 23.1 1.0 NB A:HEM144 1.9 23.1 1.0 ND A:HEM144 2.0 23.8 1.0 NE2 A:HIS73 2.1 25.8 1.0 NC A:HEM144 2.1 21.1 1.0 NA A:HEM144 2.1 21.6 1.0 O1 A:OXY145 2.2 24.1 1.0 C4A A:HEM144 3.0 24.3 1.0 C4C A:HEM144 3.0 23.3 1.0 C1B A:HEM144 3.0 23.7 1.0 CE1 A:HIS73 3.0 24.3 1.0 C4B A:HEM144 3.0 23.4 1.0 C1D A:HEM144 3.0 23.9 1.0 C1C A:HEM144 3.1 23.3 1.0 C1A A:HEM144 3.1 23.8 1.0 C4D A:HEM144 3.1 22.0 1.0 CD2 A:HIS73 3.1 25.9 1.0 CHB A:HEM144 3.4 24.3 1.0 CHD A:HEM144 3.4 23.1 1.0 O2 A:OXY145 3.4 27.8 1.0 CHC A:HEM144 3.4 23.5 1.0 CHA A:HEM144 3.4 24.3 1.0 ND1 A:HIS73 4.2 24.7 1.0 CG A:HIS73 4.2 25.5 1.0 C3C A:HEM144 4.2 21.9 1.0 C3B A:HEM144 4.2 23.4 1.0 C3A A:HEM144 4.2 24.1 1.0 C2B A:HEM144 4.3 23.6 1.0 C2C A:HEM144 4.3 21.7 1.0 C2D A:HEM144 4.3 22.2 1.0 C2A A:HEM144 4.3 22.9 1.0 C3D A:HEM144 4.3 23.2 1.0 NE2 A:GLN46 4.4 30.5 1.0 NE2 A:GLN50 4.8 28.5 1.0

Iron binding site 2 out of 2 in the Crystal Structure of Truncated Hemoglobin From Tetrahymena Pyriformis, Fe(II)-O2 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, Fe(II)-O2 Form within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe144 b:23.4 occ:1.00 FE B:HEM144 0.0 23.4 1.0 NB B:HEM144 2.0 24.2 1.0 NA B:HEM144 2.0 23.9 1.0 NC B:HEM144 2.0 22.7 1.0 ND B:HEM144 2.0 25.2 1.0 NE2 B:HIS73 2.1 26.7 1.0 O1 B:OXY145 2.4 26.3 1.0 C4A B:HEM144 3.0 25.1 1.0 C1B B:HEM144 3.0 23.3 1.0 C4C B:HEM144 3.0 25.4 1.0 C1D B:HEM144 3.0 25.1 1.0 CD2 B:HIS73 3.1 28.8 1.0 CE1 B:HIS73 3.1 28.9 1.0 C1A B:HEM144 3.1 22.9 1.0 C4B B:HEM144 3.1 22.8 1.0 C4D B:HEM144 3.1 22.4 1.0 C1C B:HEM144 3.2 22.2 1.0 CHB B:HEM144 3.3 23.6 1.0 CHD B:HEM144 3.4 23.0 1.0 O2 B:OXY145 3.4 27.9 1.0 CHC B:HEM144 3.5 22.7 1.0 CHA B:HEM144 3.5 23.0 1.0 ND1 B:HIS73 4.2 26.3 1.0 C3A B:HEM144 4.2 24.9 1.0 C3C B:HEM144 4.2 24.4 1.0 CG B:HIS73 4.2 26.7 1.0 C2B B:HEM144 4.2 24.4 1.0 C2D B:HEM144 4.3 22.8 1.0 C3B B:HEM144 4.3 23.6 1.0 C2A B:HEM144 4.3 26.4 1.0 C2C B:HEM144 4.3 23.4 1.0 NE2 B:GLN46 4.4 37.3 1.0 C3D B:HEM144 4.4 24.3 1.0 NE2 B:GLN50 4.9 38.3 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