Iron in PDB 2c0k: The Structure of Hemoglobin From the Botfly Gasterophilus Intestinalis

The structure of The Structure of Hemoglobin From the Botfly Gasterophilus Intestinalis, PDB code: 2c0k was solved by A.Pesce, M.Nardini, S.Dewilde, D.Hoogewijs, P.Ascenzi, L.Moens, M.Bolognesi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	23.85 / 2.6
Space group	P 31
Cell size a, b, c (Å), α, β, γ (°)	47.697, 47.697, 145.245, 90.00, 90.00, 120.00
R / Rfree (%)	18.6 / 25.6

The binding sites of Iron atom in the The Structure of Hemoglobin From the Botfly Gasterophilus Intestinalis (pdb code 2c0k). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the The Structure of Hemoglobin From the Botfly Gasterophilus Intestinalis, PDB code: 2c0k:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the The Structure of Hemoglobin From the Botfly Gasterophilus Intestinalis


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of The Structure of Hemoglobin From the Botfly Gasterophilus Intestinalis within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1152 b:37.6 occ:1.00 FE A:HEM1152 0.0 37.6 1.0 O1 A:OXY1153 1.8 36.9 1.0 NE2 A:HIS97 2.0 42.3 1.0 NC A:HEM1152 2.0 40.0 1.0 ND A:HEM1152 2.1 42.5 1.0 NA A:HEM1152 2.1 41.5 1.0 NB A:HEM1152 2.2 40.6 1.0 O2 A:OXY1153 2.4 39.2 1.0 CE1 A:HIS97 2.7 41.1 1.0 C4C A:HEM1152 3.0 40.9 1.0 C1D A:HEM1152 3.0 43.8 1.0 C1C A:HEM1152 3.1 40.4 1.0 C4A A:HEM1152 3.1 40.1 1.0 C4D A:HEM1152 3.1 43.7 1.0 C1A A:HEM1152 3.1 43.4 1.0 CD2 A:HIS97 3.1 44.9 1.0 C1B A:HEM1152 3.2 38.6 1.0 C4B A:HEM1152 3.2 40.1 1.0 CHD A:HEM1152 3.4 42.6 1.0 CHB A:HEM1152 3.5 40.3 1.0 CHA A:HEM1152 3.5 42.2 1.0 CHC A:HEM1152 3.5 39.8 1.0 ND1 A:HIS97 3.9 43.9 1.0 CG A:HIS97 4.1 45.6 1.0 C3C A:HEM1152 4.2 41.2 1.0 C2C A:HEM1152 4.3 40.9 1.0 C2D A:HEM1152 4.3 45.6 1.0 C3D A:HEM1152 4.3 45.9 1.0 C3A A:HEM1152 4.3 42.6 1.0 C2A A:HEM1152 4.3 44.3 1.0 C2B A:HEM1152 4.4 39.6 1.0 C3B A:HEM1152 4.4 38.7 1.0 CE1 A:HIS62 4.6 40.6 1.0 NE2 A:HIS62 4.6 38.7 1.0 CG1 A:ILE66 5.0 35.3 1.0

Iron binding site 2 out of 2 in the The Structure of Hemoglobin From the Botfly Gasterophilus Intestinalis


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of The Structure of Hemoglobin From the Botfly Gasterophilus Intestinalis within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe1152 b:46.5 occ:1.00 FE B:HEM1152 0.0 46.5 1.0 NC B:HEM1152 2.0 44.2 1.0 ND B:HEM1152 2.0 47.6 1.0 NE2 B:HIS97 2.0 54.8 1.0 NA B:HEM1152 2.1 47.5 1.0 NB B:HEM1152 2.2 44.4 1.0 O2 B:OXY1153 2.2 69.2 1.0 O1 B:OXY1153 2.5 70.2 1.0 CE1 B:HIS97 2.9 52.4 1.0 C4C B:HEM1152 3.0 44.3 1.0 C1D B:HEM1152 3.0 49.2 1.0 C1C B:HEM1152 3.1 43.3 1.0 C4D B:HEM1152 3.1 49.0 1.0 C4A B:HEM1152 3.1 48.2 1.0 C1A B:HEM1152 3.1 50.4 1.0 C1B B:HEM1152 3.2 44.6 1.0 C4B B:HEM1152 3.2 43.9 1.0 CD2 B:HIS97 3.2 54.7 1.0 CHD B:HEM1152 3.4 46.4 1.0 CHA B:HEM1152 3.5 48.4 1.0 CHC B:HEM1152 3.5 43.1 1.0 CHB B:HEM1152 3.5 47.1 1.0 ND1 B:HIS97 4.0 53.8 1.0 CG B:HIS97 4.2 55.4 1.0 C3C B:HEM1152 4.3 43.4 1.0 C2C B:HEM1152 4.3 43.1 1.0 C2D B:HEM1152 4.3 50.2 1.0 C3D B:HEM1152 4.3 50.5 1.0 C3A B:HEM1152 4.4 51.5 1.0 C2A B:HEM1152 4.4 52.2 1.0 C3B B:HEM1152 4.4 44.6 1.0 C2B B:HEM1152 4.4 43.9 1.0 NE2 B:HIS62 4.4 45.8 1.0 CE1 B:HIS62 4.5 46.6 1.0

A.Pesce, M.Nardini, S.Dewilde, D.Hoogewijs, P.Ascenzi, L.Moens, M.Bolognesi. Modulation of Oxygen Binding to Insect Hemoglobins: the Structure of Hemoglobin From the Botfly Gasterophilus Intestinalis. Protein Sci. V. 14 3057 2005.
ISSN: ISSN 0961-8368
PubMed: 16260762
DOI: 10.1110/PS.051742605