Iron in PDB 2r50: The Crystal Structure of Nonsymbiotic Corn Hemoglobin 1

The structure of The Crystal Structure of Nonsymbiotic Corn Hemoglobin 1, PDB code: 2r50 was solved by B.J.Smagghe, J.A.Hoy, M.S.Hargrove, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	79.06 / 2.20
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	50.754, 89.734, 157.424, 90.00, 90.00, 90.00
R / Rfree (%)	20.1 / 25.3

The binding sites of Iron atom in the The Crystal Structure of Nonsymbiotic Corn Hemoglobin 1 (pdb code 2r50). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the The Crystal Structure of Nonsymbiotic Corn Hemoglobin 1, PDB code: 2r50:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the The Crystal Structure of Nonsymbiotic Corn Hemoglobin 1


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of The Crystal Structure of Nonsymbiotic Corn Hemoglobin 1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe166 b:32.0 occ:1.00 FE A:HEM166 0.0 32.0 1.0 NB A:HEM166 1.9 30.5 1.0 NA A:HEM166 2.0 35.8 1.0 ND A:HEM166 2.0 35.8 1.0 NC A:HEM166 2.0 33.7 1.0 NE2 A:HIS73 2.2 33.8 1.0 NE2 A:HIS108 2.2 34.6 1.0 C4B A:HEM166 3.0 29.1 1.0 C1B A:HEM166 3.0 31.2 1.0 C1A A:HEM166 3.0 35.6 1.0 C4A A:HEM166 3.0 36.7 1.0 C4D A:HEM166 3.0 34.4 1.0 C1C A:HEM166 3.0 30.4 1.0 CD2 A:HIS108 3.0 34.2 1.0 C1D A:HEM166 3.0 34.8 1.0 C4C A:HEM166 3.1 31.7 1.0 CD2 A:HIS73 3.1 32.5 1.0 CE1 A:HIS73 3.3 34.5 1.0 CE1 A:HIS108 3.3 36.0 1.0 CHA A:HEM166 3.3 32.4 1.0 CHB A:HEM166 3.3 32.6 1.0 CHC A:HEM166 3.3 29.9 1.0 CHD A:HEM166 3.4 32.8 1.0 C2B A:HEM166 4.2 31.9 1.0 C3B A:HEM166 4.2 31.2 1.0 CG A:HIS108 4.2 32.7 1.0 C3A A:HEM166 4.3 34.2 1.0 C2A A:HEM166 4.3 40.4 1.0 C2D A:HEM166 4.3 38.1 1.0 CG A:HIS73 4.3 34.9 1.0 C3D A:HEM166 4.3 38.3 1.0 C2C A:HEM166 4.3 30.5 1.0 C3C A:HEM166 4.3 29.8 1.0 ND1 A:HIS108 4.3 34.5 1.0 ND1 A:HIS73 4.3 36.5 1.0

Iron binding site 2 out of 4 in the The Crystal Structure of Nonsymbiotic Corn Hemoglobin 1


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of The Crystal Structure of Nonsymbiotic Corn Hemoglobin 1 within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe167 b:33.9 occ:1.00 FE B:HEM167 0.0 33.9 1.0 ND B:HEM167 2.0 32.5 1.0 NC B:HEM167 2.0 31.8 1.0 NB B:HEM167 2.0 31.7 1.0 NA B:HEM167 2.0 39.8 1.0 NE2 B:HIS73 2.2 34.6 1.0 NE2 B:HIS108 2.3 38.1 1.0 C1C B:HEM167 3.0 32.9 1.0 C4D B:HEM167 3.0 32.2 1.0 C4B B:HEM167 3.0 31.4 1.0 CD2 B:HIS73 3.0 36.9 1.0 C1D B:HEM167 3.0 34.2 1.0 C1B B:HEM167 3.0 30.4 1.0 C1A B:HEM167 3.1 36.6 1.0 C4C B:HEM167 3.1 32.0 1.0 C4A B:HEM167 3.1 34.7 1.0 CD2 B:HIS108 3.1 35.2 1.0 CE1 B:HIS73 3.3 36.4 1.0 CHC B:HEM167 3.4 29.2 1.0 CE1 B:HIS108 3.4 35.4 1.0 CHA B:HEM167 3.4 33.9 1.0 CHB B:HEM167 3.4 34.0 1.0 CHD B:HEM167 3.5 32.3 1.0 C3D B:HEM167 4.2 39.7 1.0 C3B B:HEM167 4.2 31.4 1.0 C2D B:HEM167 4.3 35.7 1.0 C2B B:HEM167 4.3 31.6 1.0 CG B:HIS73 4.3 36.9 1.0 C2C B:HEM167 4.3 32.8 1.0 CG B:HIS108 4.3 34.4 1.0 C3C B:HEM167 4.3 30.5 1.0 C3A B:HEM167 4.3 38.2 1.0 C2A B:HEM167 4.3 39.4 1.0 ND1 B:HIS73 4.3 36.1 1.0 ND1 B:HIS108 4.4 32.3 1.0

Iron binding site 3 out of 4 in the The Crystal Structure of Nonsymbiotic Corn Hemoglobin 1


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of The Crystal Structure of Nonsymbiotic Corn Hemoglobin 1 within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe168 b:34.9 occ:1.00 FE C:HEM168 0.0 34.9 1.0 NB C:HEM168 2.0 33.2 1.0 NC C:HEM168 2.0 34.8 1.0 ND C:HEM168 2.0 35.9 1.0 NA C:HEM168 2.0 39.0 1.0 NE2 C:HIS108 2.1 32.0 1.0 NE2 C:HIS73 2.2 43.4 1.0 CD2 C:HIS108 3.0 33.4 1.0 C4B C:HEM168 3.0 32.0 1.0 C4D C:HEM168 3.0 36.4 1.0 C1C C:HEM168 3.0 29.0 1.0 C1B C:HEM168 3.0 34.4 1.0 C1A C:HEM168 3.0 37.0 1.0 C4A C:HEM168 3.1 35.6 1.0 C1D C:HEM168 3.1 37.0 1.0 C4C C:HEM168 3.1 35.1 1.0 CE1 C:HIS108 3.1 34.1 1.0 CE1 C:HIS73 3.2 42.8 1.0 CD2 C:HIS73 3.2 45.7 1.0 CHC C:HEM168 3.4 28.9 1.0 CHA C:HEM168 3.4 34.2 1.0 CHB C:HEM168 3.4 33.0 1.0 CHD C:HEM168 3.5 34.5 1.0 CG C:HIS108 4.2 32.1 1.0 ND1 C:HIS108 4.2 35.4 1.0 C3D C:HEM168 4.3 40.5 1.0 C3B C:HEM168 4.3 32.6 1.0 C2A C:HEM168 4.3 42.0 1.0 C3A C:HEM168 4.3 38.1 1.0 C2B C:HEM168 4.3 33.6 1.0 C2C C:HEM168 4.3 28.8 1.0 C2D C:HEM168 4.3 37.3 1.0 C3C C:HEM168 4.3 31.8 1.0 ND1 C:HIS73 4.3 42.0 1.0 CG C:HIS73 4.3 43.5 1.0

Iron binding site 4 out of 4 in the The Crystal Structure of Nonsymbiotic Corn Hemoglobin 1


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of The Crystal Structure of Nonsymbiotic Corn Hemoglobin 1 within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe168 b:37.2 occ:1.00 FE D:HEM168 0.0 37.2 1.0 NB D:HEM168 2.0 35.7 1.0 ND D:HEM168 2.0 39.7 1.0 NC D:HEM168 2.0 37.4 1.0 NA D:HEM168 2.0 39.0 1.0 NE2 D:HIS73 2.1 33.4 1.0 NE2 D:HIS108 2.2 31.1 1.0 CD2 D:HIS108 2.9 34.1 1.0 C4B D:HEM168 3.0 36.0 1.0 C4D D:HEM168 3.0 36.3 1.0 C1C D:HEM168 3.1 34.5 1.0 C1B D:HEM168 3.1 37.4 1.0 C1A D:HEM168 3.1 39.9 1.0 C1D D:HEM168 3.1 41.6 1.0 C4A D:HEM168 3.1 43.4 1.0 C4C D:HEM168 3.1 36.4 1.0 CE1 D:HIS73 3.1 31.8 1.0 CD2 D:HIS73 3.1 33.1 1.0 CE1 D:HIS108 3.3 32.7 1.0 CHC D:HEM168 3.4 33.0 1.0 CHA D:HEM168 3.4 36.4 1.0 CHB D:HEM168 3.5 40.7 1.0 CHD D:HEM168 3.5 38.1 1.0 CG D:HIS108 4.1 36.0 1.0 ND1 D:HIS73 4.2 35.4 1.0 CG D:HIS73 4.2 35.4 1.0 C2D D:HEM168 4.3 41.1 1.0 C3D D:HEM168 4.3 43.0 1.0 C3B D:HEM168 4.3 38.1 1.0 C2B D:HEM168 4.3 35.8 1.0 ND1 D:HIS108 4.3 34.9 1.0 C2C D:HEM168 4.3 37.1 1.0 C3A D:HEM168 4.3 44.5 1.0 C2A D:HEM168 4.3 45.4 1.0 C3C D:HEM168 4.3 37.1 1.0

B.J.Smagghe, J.A.Hoy, M.S.Hargrove. The Crystal Structure of Nonsymbiotic Corn Hemoglobin 1 To Be Published.