Calcium in PDB 7e96: Oxy-Deoxy Intermediate of 400 kDa Giant Hemoglobin at 69% Oxygen Saturation

The structure of Oxy-Deoxy Intermediate of 400 kDa Giant Hemoglobin at 69% Oxygen Saturation, PDB code: 7e96 was solved by N.Numoto, Y.Kawano, H.Okumura, S.Baba, Y.Fukumori, K.Miki, N.Ito, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.61 / 2.40
Space group	H 3 2
Cell size a, b, c (Å), α, β, γ (°)	110.213, 110.213, 274.656, 90, 90, 120
R / Rfree (%)	19.2 / 23.9

The structure of Oxy-Deoxy Intermediate of 400 kDa Giant Hemoglobin at 69% Oxygen Saturation also contains other interesting chemical elements:

Iron

(Fe)

4 atoms

The binding sites of Calcium atom in the Oxy-Deoxy Intermediate of 400 kDa Giant Hemoglobin at 69% Oxygen Saturation (pdb code 7e96). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total only one binding site of Calcium was determined in the Oxy-Deoxy Intermediate of 400 kDa Giant Hemoglobin at 69% Oxygen Saturation, PDB code: 7e96:

Calcium binding site 1 out of 1 in the Oxy-Deoxy Intermediate of 400 kDa Giant Hemoglobin at 69% Oxygen Saturation


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Oxy-Deoxy Intermediate of 400 kDa Giant Hemoglobin at 69% Oxygen Saturation within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca203 b:64.1 occ:0.45 O A:THR117 2.4 64.5 1.0 C A:THR117 3.5 50.9 1.0 CA A:THR117 4.3 56.9 1.0 N A:HIS118 4.5 46.1 1.0 CA A:HIS118 4.7 78.7 1.0 CB A:THR117 4.8 47.4 1.0 O A:LEU119 4.8 48.3 1.0

N.Numoto, Y.Kawano, H.Okumura, S.Baba, Y.Fukumori, K.Miki, N.Ito. Coarse Snapshots of Oxygen-Dissociation Intermediates of A Giant Hemoglobin Elucidated By Determining the Oxygen Saturation in Individual Subunits in the Crystalline State. Iucrj 2021.
ISSN: ESSN 2052-2525
DOI: 10.1107/S2052252521009386