Iron in PDB 6ii1: Crystal Structure Analysis of Co Form Hemoglobin From Bos Taurus

The structure of Crystal Structure Analysis of Co Form Hemoglobin From Bos Taurus, PDB code: 6ii1 was solved by K.Kihira, Y.Morita, T.Yamada, M.Kureishi, T.Komatsu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.83 / 1.34
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	63.560, 76.283, 109.789, 90.00, 90.00, 90.00
R / Rfree (%)	13.7 / 17.5

The binding sites of Iron atom in the Crystal Structure Analysis of Co Form Hemoglobin From Bos Taurus (pdb code 6ii1). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Crystal Structure Analysis of Co Form Hemoglobin From Bos Taurus, PDB code: 6ii1:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Crystal Structure Analysis of Co Form Hemoglobin From Bos Taurus


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure Analysis of Co Form Hemoglobin From Bos Taurus within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:12.5 occ:1.00 FE A:HEM201 0.0 12.5 1.0 C A:CMO202 1.7 13.6 1.0 ND A:HEM201 1.9 12.3 1.0 NA A:HEM201 2.0 13.3 1.0 NC A:HEM201 2.0 11.2 1.0 NB A:HEM201 2.0 12.3 1.0 NE2 A:HIS87 2.1 12.6 1.0 O A:CMO202 2.9 16.8 1.0 C4D A:HEM201 3.0 13.4 1.0 C4B A:HEM201 3.0 11.9 1.0 C1D A:HEM201 3.0 11.7 1.0 C1A A:HEM201 3.0 13.4 1.0 C4C A:HEM201 3.0 10.5 1.0 C4A A:HEM201 3.0 13.5 1.0 C1C A:HEM201 3.0 10.6 1.0 CE1 A:HIS87 3.0 12.8 1.0 C1B A:HEM201 3.1 12.5 1.0 CD2 A:HIS87 3.1 12.2 1.0 CHD A:HEM201 3.4 10.8 1.0 CHA A:HEM201 3.4 14.2 1.0 CHC A:HEM201 3.4 11.7 1.0 CHB A:HEM201 3.4 13.3 1.0 ND1 A:HIS87 4.2 13.3 1.0 C3A A:HEM201 4.2 15.1 1.0 C3C A:HEM201 4.2 10.5 1.0 CG A:HIS87 4.2 13.1 1.0 C2A A:HEM201 4.2 14.9 1.0 C3D A:HEM201 4.3 13.3 1.0 C2D A:HEM201 4.3 13.0 1.0 C2C A:HEM201 4.3 10.7 1.0 C2B A:HEM201 4.3 12.2 1.0 C3B A:HEM201 4.3 12.8 1.0 NE2 A:HIS58 4.3 17.7 1.0 CG2 A:VAL62 5.0 15.0 1.0

Iron binding site 2 out of 4 in the Crystal Structure Analysis of Co Form Hemoglobin From Bos Taurus


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure Analysis of Co Form Hemoglobin From Bos Taurus within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe201 b:15.7 occ:1.00 FE B:HEM201 0.0 15.7 1.0 C B:CMO202 1.8 15.3 1.0 ND B:HEM201 1.9 15.9 1.0 NA B:HEM201 2.0 16.5 1.0 NB B:HEM201 2.0 15.4 1.0 NC B:HEM201 2.0 14.5 1.0 NE2 B:HIS92 2.1 16.2 1.0 C4D B:HEM201 3.0 17.2 1.0 C1D B:HEM201 3.0 18.1 1.0 O B:CMO202 3.0 20.3 1.0 C4B B:HEM201 3.0 16.4 1.0 C1A B:HEM201 3.0 17.2 1.0 C4C B:HEM201 3.0 15.4 1.0 C4A B:HEM201 3.0 17.0 1.0 CE1 B:HIS92 3.1 16.7 1.0 C1C B:HEM201 3.1 14.4 1.0 C1B B:HEM201 3.1 14.8 1.0 CD2 B:HIS92 3.1 16.3 1.0 CHA B:HEM201 3.4 18.6 1.0 CHD B:HEM201 3.4 16.1 1.0 CHB B:HEM201 3.4 16.0 1.0 CHC B:HEM201 3.4 14.6 1.0 ND1 B:HIS92 4.2 16.9 1.0 CG B:HIS92 4.2 16.3 1.0 C3A B:HEM201 4.2 18.6 1.0 C2D B:HEM201 4.2 17.9 1.0 C2C B:HEM201 4.2 14.3 1.0 C3C B:HEM201 4.2 14.7 1.0 C3D B:HEM201 4.3 19.8 1.0 C2A B:HEM201 4.3 20.6 1.0 C2B B:HEM201 4.3 16.2 1.0 C3B B:HEM201 4.3 16.0 1.0 NE2 B:HIS63 4.5 20.6 1.0 CG2 B:VAL67 4.7 20.5 1.0

Iron binding site 3 out of 4 in the Crystal Structure Analysis of Co Form Hemoglobin From Bos Taurus


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Crystal Structure Analysis of Co Form Hemoglobin From Bos Taurus within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe201 b:14.1 occ:1.00 FE C:HEM201 0.0 14.1 1.0 C C:CMO202 1.8 14.5 1.0 ND C:HEM201 2.0 14.7 1.0 NA C:HEM201 2.0 13.9 1.0 NC C:HEM201 2.0 13.4 1.0 NB C:HEM201 2.1 13.2 1.0 NE2 C:HIS87 2.1 14.1 1.0 O C:CMO202 3.0 18.4 1.0 C4D C:HEM201 3.0 15.1 1.0 C1D C:HEM201 3.0 14.3 1.0 C4B C:HEM201 3.0 13.5 1.0 C4C C:HEM201 3.0 14.1 1.0 C1C C:HEM201 3.0 13.7 1.0 C1A C:HEM201 3.0 14.9 1.0 C1B C:HEM201 3.0 12.8 1.0 C4A C:HEM201 3.0 13.5 1.0 CE1 C:HIS87 3.1 14.5 1.0 CD2 C:HIS87 3.1 14.5 1.0 CHD C:HEM201 3.4 14.0 1.0 CHC C:HEM201 3.4 12.8 1.0 CHA C:HEM201 3.4 15.7 1.0 CHB C:HEM201 3.4 13.3 1.0 ND1 C:HIS87 4.2 14.9 1.0 C2D C:HEM201 4.2 16.1 1.0 CG C:HIS87 4.2 14.6 1.0 C3D C:HEM201 4.2 15.4 1.0 C2C C:HEM201 4.3 13.8 1.0 C3C C:HEM201 4.3 14.1 1.0 C3A C:HEM201 4.3 14.5 1.0 C2A C:HEM201 4.3 15.0 1.0 C3B C:HEM201 4.3 13.4 1.0 C2B C:HEM201 4.3 13.2 1.0 NE2 C:HIS58 4.3 19.0 1.0 CG2 C:VAL62 5.0 14.3 1.0

Iron binding site 4 out of 4 in the Crystal Structure Analysis of Co Form Hemoglobin From Bos Taurus


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Crystal Structure Analysis of Co Form Hemoglobin From Bos Taurus within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe201 b:13.6 occ:1.00 FE D:HEM201 0.0 13.6 1.0 C D:CMO202 1.8 15.0 1.0 ND D:HEM201 1.9 13.7 1.0 NA D:HEM201 2.0 13.8 1.0 NC D:HEM201 2.0 13.5 1.0 NB D:HEM201 2.0 13.7 1.0 NE2 D:HIS92 2.1 14.7 1.0 O D:CMO202 2.9 15.8 1.0 C4D D:HEM201 3.0 14.1 1.0 C1D D:HEM201 3.0 14.1 1.0 C1A D:HEM201 3.0 14.1 1.0 C4C D:HEM201 3.0 13.6 1.0 C4B D:HEM201 3.0 14.2 1.0 CE1 D:HIS92 3.0 13.5 1.0 C1B D:HEM201 3.0 13.5 1.0 C4A D:HEM201 3.0 14.0 1.0 C1C D:HEM201 3.1 13.0 1.0 CD2 D:HIS92 3.1 13.3 1.0 CHA D:HEM201 3.4 14.0 1.0 CHD D:HEM201 3.4 13.8 1.0 CHB D:HEM201 3.4 13.6 1.0 CHC D:HEM201 3.4 13.7 1.0 ND1 D:HIS92 4.2 14.5 1.0 C2A D:HEM201 4.2 15.2 1.0 CG D:HIS92 4.2 13.8 1.0 C3D D:HEM201 4.2 15.3 1.0 C2D D:HEM201 4.2 15.2 1.0 C2C D:HEM201 4.2 13.2 1.0 C3A D:HEM201 4.2 14.6 1.0 C3C D:HEM201 4.3 13.6 1.0 C2B D:HEM201 4.3 14.6 1.0 C3B D:HEM201 4.3 14.6 1.0 NE2 D:HIS63 4.5 17.1 1.0 CG2 D:VAL67 4.7 16.6 1.0

Y.Morita, T.Yamada, M.Kureishi, K.Kihira, T.Komatsu. Quaternary Structure Analysis of A Hemoglobin Core in Hemoglobin-Albumin Cluster. J Phys Chem B V. 122 12031 2018.
ISSN: ISSN 1520-5207
PubMed: 30444368
DOI: 10.1021/ACS.JPCB.8B10077