Iron in PDB 6ihx: Crystal Structure Analysis of Bovine Hemoglobin Modified By Snp

The structure of Crystal Structure Analysis of Bovine Hemoglobin Modified By Snp, PDB code: 6ihx 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)	45.50 / 1.46
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	65.117, 78.132, 109.539, 90.00, 90.00, 90.00
R / Rfree (%)	14.5 / 20

The binding sites of Iron atom in the Crystal Structure Analysis of Bovine Hemoglobin Modified By Snp (pdb code 6ihx). 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 Bovine Hemoglobin Modified By Snp, PDB code: 6ihx:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Crystal Structure Analysis of Bovine Hemoglobin Modified By Snp


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 Bovine Hemoglobin Modified By Snp within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:17.5 occ:1.00 FE A:HEM201 0.0 17.5 1.0 C A:CMO202 1.8 17.1 1.0 ND A:HEM201 1.9 16.6 1.0 NA A:HEM201 2.0 17.3 1.0 NE2 A:HIS87 2.0 17.3 1.0 NC A:HEM201 2.0 16.3 1.0 NB A:HEM201 2.1 17.1 1.0 C4D A:HEM201 3.0 18.1 1.0 C1D A:HEM201 3.0 16.4 1.0 O A:CMO202 3.0 26.7 1.0 CE1 A:HIS87 3.0 19.2 1.0 C4C A:HEM201 3.0 16.7 1.0 C4B A:HEM201 3.0 16.6 1.0 C4A A:HEM201 3.0 18.3 1.0 C1A A:HEM201 3.0 18.5 1.0 CD2 A:HIS87 3.1 16.4 1.0 C1C A:HEM201 3.1 16.5 1.0 C1B A:HEM201 3.1 17.6 1.0 CHD A:HEM201 3.4 17.1 1.0 CHA A:HEM201 3.4 17.9 1.0 CHC A:HEM201 3.4 17.4 1.0 CHB A:HEM201 3.5 18.6 1.0 ND1 A:HIS87 4.1 18.6 1.0 CG A:HIS87 4.2 17.7 1.0 NE2 A:HIS58 4.2 22.2 1.0 C2D A:HEM201 4.2 17.8 1.0 C3D A:HEM201 4.2 17.9 1.0 C2C A:HEM201 4.2 16.4 1.0 C3C A:HEM201 4.2 16.2 1.0 C3A A:HEM201 4.2 19.8 1.0 C2A A:HEM201 4.3 20.5 1.0 C2B A:HEM201 4.3 17.9 1.0 C3B A:HEM201 4.3 17.6 1.0 CG2 A:VAL62 5.0 18.2 1.0 CE1 A:HIS58 5.0 24.2 1.0

Iron binding site 2 out of 4 in the Crystal Structure Analysis of Bovine Hemoglobin Modified By Snp


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 Bovine Hemoglobin Modified By Snp within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe201 b:21.7 occ:1.00 FE B:HEM201 0.0 21.7 1.0 C B:CMO202 1.8 23.8 1.0 ND B:HEM201 1.9 21.0 1.0 NA B:HEM201 2.0 21.8 1.0 NE2 B:HIS92 2.0 22.9 1.0 NC B:HEM201 2.1 19.0 1.0 NB B:HEM201 2.1 21.7 1.0 O B:CMO202 2.8 29.1 1.0 C1D B:HEM201 3.0 20.3 1.0 C4D B:HEM201 3.0 22.5 1.0 CE1 B:HIS92 3.0 23.6 1.0 C4C B:HEM201 3.0 19.4 1.0 C4B B:HEM201 3.0 22.3 1.0 C1A B:HEM201 3.0 23.0 1.0 C4A B:HEM201 3.0 21.5 1.0 C1C B:HEM201 3.1 19.4 1.0 C1B B:HEM201 3.1 21.8 1.0 CD2 B:HIS92 3.1 23.0 1.0 CHD B:HEM201 3.4 20.9 1.0 CHC B:HEM201 3.4 20.1 1.0 CHA B:HEM201 3.4 22.3 1.0 CHB B:HEM201 3.5 22.8 1.0 ND1 B:HIS92 4.1 22.0 1.0 CG B:HIS92 4.2 23.6 1.0 C2D B:HEM201 4.2 23.2 1.0 C2C B:HEM201 4.2 19.8 1.0 C3A B:HEM201 4.2 22.7 1.0 C3C B:HEM201 4.2 19.4 1.0 C2A B:HEM201 4.2 23.4 1.0 C3D B:HEM201 4.3 23.2 1.0 C2B B:HEM201 4.3 23.6 1.0 C3B B:HEM201 4.3 22.5 1.0 NE2 B:HIS63 4.4 28.1 1.0 CG2 B:VAL67 4.7 27.3 1.0

Iron binding site 3 out of 4 in the Crystal Structure Analysis of Bovine Hemoglobin Modified By Snp


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 Bovine Hemoglobin Modified By Snp within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe201 b:18.0 occ:1.00 FE C:HEM201 0.0 18.0 1.0 C C:CMO202 1.9 22.3 1.0 ND C:HEM201 1.9 17.8 1.0 NA C:HEM201 2.0 17.6 1.0 NE2 C:HIS87 2.0 18.3 1.0 NC C:HEM201 2.0 16.3 1.0 NB C:HEM201 2.1 17.2 1.0 C1D C:HEM201 3.0 18.0 1.0 C4D C:HEM201 3.0 19.5 1.0 CE1 C:HIS87 3.0 17.7 1.0 C1A C:HEM201 3.0 19.6 1.0 C4C C:HEM201 3.0 16.9 1.0 C4B C:HEM201 3.0 17.4 1.0 C4A C:HEM201 3.0 18.7 1.0 C1C C:HEM201 3.1 16.7 1.0 CD2 C:HIS87 3.1 18.3 1.0 C1B C:HEM201 3.1 18.4 1.0 O C:CMO202 3.2 30.4 1.0 CHA C:HEM201 3.4 18.7 1.0 CHC C:HEM201 3.4 16.9 1.0 CHD C:HEM201 3.4 17.2 1.0 CHB C:HEM201 3.5 19.4 1.0 ND1 C:HIS87 4.1 18.2 1.0 NE2 C:HIS58 4.2 21.7 1.0 CG C:HIS87 4.2 17.9 1.0 C2A C:HEM201 4.2 21.7 1.0 C2D C:HEM201 4.2 18.8 1.0 C3A C:HEM201 4.2 20.8 1.0 C2C C:HEM201 4.2 16.9 1.0 C3C C:HEM201 4.2 16.9 1.0 C3D C:HEM201 4.3 18.8 1.0 C2B C:HEM201 4.3 18.6 1.0 C3B C:HEM201 4.3 17.7 1.0 CG2 C:VAL62 4.9 19.9 1.0

Iron binding site 4 out of 4 in the Crystal Structure Analysis of Bovine Hemoglobin Modified By Snp


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 Bovine Hemoglobin Modified By Snp within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe201 b:30.0 occ:1.00 FE D:HEM201 0.0 30.0 1.0 C D:CMO202 1.9 31.2 1.0 ND D:HEM201 1.9 30.9 1.0 NA D:HEM201 2.0 30.3 1.0 NE2 D:HIS92 2.0 28.1 1.0 NC D:HEM201 2.1 26.8 1.0 NB D:HEM201 2.1 27.1 1.0 C1D D:HEM201 2.9 29.1 1.0 C4D D:HEM201 2.9 30.9 1.0 CE1 D:HIS92 3.0 32.8 1.0 O D:CMO202 3.0 41.4 1.0 C4C D:HEM201 3.0 26.1 1.0 C1A D:HEM201 3.0 30.8 1.0 C4A D:HEM201 3.0 32.1 1.0 CD2 D:HIS92 3.1 30.5 1.0 C4B D:HEM201 3.1 27.2 1.0 C1B D:HEM201 3.1 29.4 1.0 C1C D:HEM201 3.1 26.2 1.0 CHD D:HEM201 3.4 28.2 1.0 CHA D:HEM201 3.4 32.4 1.0 CHB D:HEM201 3.4 30.2 1.0 CHC D:HEM201 3.5 26.3 1.0 ND1 D:HIS92 4.1 30.7 1.0 NE2 D:HIS63 4.2 34.2 1.0 CG D:HIS92 4.2 30.8 1.0 C2D D:HEM201 4.2 30.8 1.0 C3D D:HEM201 4.2 31.8 1.0 C3A D:HEM201 4.2 35.2 1.0 C2A D:HEM201 4.2 37.0 1.0 C3C D:HEM201 4.2 25.6 1.0 C2C D:HEM201 4.3 24.8 1.0 C2B D:HEM201 4.3 30.8 1.0 C3B D:HEM201 4.3 30.4 1.0 CG2 D:VAL67 4.7 33.4 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