Iron in PDB 1y8h: Horse Methemoglobin Low Salt, pH 7.0

The structure of Horse Methemoglobin Low Salt, pH 7.0, PDB code: 1y8h was solved by R.Sankaranarayanan, B.K.Biswal, M.Vijayan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 3.10
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	63.299, 83.073, 112.089, 90.00, 90.00, 90.00
R / Rfree (%)	20.2 / 27.4

The binding sites of Iron atom in the Horse Methemoglobin Low Salt, pH 7.0 (pdb code 1y8h). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Horse Methemoglobin Low Salt, pH 7.0, PDB code: 1y8h:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Horse Methemoglobin Low Salt, pH 7.0


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Horse Methemoglobin Low Salt, pH 7.0 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe142 b:28.8 occ:1.00 FE A:HEM142 0.0 28.8 1.0 ND A:HEM142 2.0 28.8 1.0 NA A:HEM142 2.0 28.8 1.0 NB A:HEM142 2.0 28.8 1.0 NC A:HEM142 2.0 28.8 1.0 NE2 A:HIS87 2.1 18.6 1.0 O A:HOH900 2.2 2.6 1.0 CD2 A:HIS87 3.0 18.6 1.0 C4D A:HEM142 3.0 28.8 1.0 C1A A:HEM142 3.0 28.8 1.0 C1D A:HEM142 3.0 28.8 1.0 C1B A:HEM142 3.0 28.8 1.0 C4A A:HEM142 3.0 28.8 1.0 C4B A:HEM142 3.0 28.8 1.0 C4C A:HEM142 3.1 28.8 1.0 C1C A:HEM142 3.1 28.8 1.0 CE1 A:HIS87 3.1 18.6 1.0 CHA A:HEM142 3.4 28.8 1.0 CHB A:HEM142 3.4 28.8 1.0 CHD A:HEM142 3.4 28.8 1.0 CHC A:HEM142 3.4 28.8 1.0 CG A:HIS87 4.2 18.6 1.0 ND1 A:HIS87 4.2 18.6 1.0 C2A A:HEM142 4.2 28.8 1.0 C3D A:HEM142 4.3 28.8 1.0 C2D A:HEM142 4.3 28.8 1.0 C2B A:HEM142 4.3 28.8 1.0 C3A A:HEM142 4.3 28.8 1.0 C3C A:HEM142 4.3 28.8 1.0 C2C A:HEM142 4.3 28.8 1.0 C3B A:HEM142 4.3 28.8 1.0 NE2 A:HIS58 4.3 35.5 1.0 CE1 A:HIS58 4.7 35.5 1.0

Iron binding site 2 out of 4 in the Horse Methemoglobin Low Salt, pH 7.0


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Horse Methemoglobin Low Salt, pH 7.0 within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe147 b:42.9 occ:1.00 FE B:HEM147 0.0 42.9 1.0 ND B:HEM147 2.0 42.9 1.0 NA B:HEM147 2.0 42.9 1.0 NC B:HEM147 2.0 42.9 1.0 NB B:HEM147 2.0 42.9 1.0 NE2 B:HIS92 2.1 59.4 1.0 O B:HOH901 2.2 10.7 1.0 CE1 B:HIS92 3.0 59.4 1.0 C4D B:HEM147 3.0 42.9 1.0 C1A B:HEM147 3.1 42.9 1.0 C1D B:HEM147 3.1 42.9 1.0 C4C B:HEM147 3.1 42.9 1.0 C1C B:HEM147 3.1 42.9 1.0 C4B B:HEM147 3.1 42.9 1.0 C4A B:HEM147 3.1 42.9 1.0 C1B B:HEM147 3.1 42.9 1.0 CD2 B:HIS92 3.2 59.4 1.0 CHA B:HEM147 3.4 42.9 1.0 CHD B:HEM147 3.4 42.9 1.0 CHC B:HEM147 3.4 42.9 1.0 CHB B:HEM147 3.5 42.9 1.0 ND1 B:HIS92 4.1 59.4 1.0 CG B:HIS92 4.2 59.4 1.0 C2D B:HEM147 4.3 42.9 1.0 C2C B:HEM147 4.3 42.9 1.0 C3D B:HEM147 4.3 42.9 1.0 C3C B:HEM147 4.3 42.9 1.0 C2A B:HEM147 4.3 42.9 1.0 C3A B:HEM147 4.3 42.9 1.0 C3B B:HEM147 4.3 42.9 1.0 C2B B:HEM147 4.4 42.9 1.0 NE2 B:HIS63 4.4 50.1 1.0 CE1 B:HIS63 4.7 50.1 1.0

Iron binding site 3 out of 4 in the Horse Methemoglobin Low Salt, pH 7.0


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Horse Methemoglobin Low Salt, pH 7.0 within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe142 b:31.1 occ:1.00 FE C:HEM142 0.0 31.1 1.0 NA C:HEM142 1.9 31.1 1.0 NB C:HEM142 2.0 31.1 1.0 ND C:HEM142 2.0 31.1 1.0 NC C:HEM142 2.0 31.1 1.0 NE2 C:HIS87 2.3 17.0 1.0 C4A C:HEM142 3.0 31.1 1.0 C1A C:HEM142 3.0 31.1 1.0 C1B C:HEM142 3.0 31.1 1.0 C4D C:HEM142 3.0 31.1 1.0 C4B C:HEM142 3.0 31.1 1.0 C1D C:HEM142 3.1 31.1 1.0 C1C C:HEM142 3.1 31.1 1.0 C4C C:HEM142 3.1 31.1 1.0 CD2 C:HIS87 3.2 17.0 1.0 CE1 C:HIS87 3.3 17.0 1.0 CHB C:HEM142 3.4 31.1 1.0 CHA C:HEM142 3.4 31.1 1.0 CHC C:HEM142 3.4 31.1 1.0 CHD C:HEM142 3.5 31.1 1.0 NE2 C:HIS58 4.1 25.2 1.0 C2A C:HEM142 4.2 31.1 1.0 C3A C:HEM142 4.2 31.1 1.0 C2B C:HEM142 4.2 31.1 1.0 C3B C:HEM142 4.3 31.1 1.0 C3D C:HEM142 4.3 31.1 1.0 C2D C:HEM142 4.3 31.1 1.0 C2C C:HEM142 4.3 31.1 1.0 C3C C:HEM142 4.3 31.1 1.0 CG C:HIS87 4.4 17.0 1.0 ND1 C:HIS87 4.4 17.0 1.0 CE1 C:HIS58 4.5 25.2 1.0

Iron binding site 4 out of 4 in the Horse Methemoglobin Low Salt, pH 7.0


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Horse Methemoglobin Low Salt, pH 7.0 within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe147 b:30.2 occ:1.00 FE D:HEM147 0.0 30.2 1.0 ND D:HEM147 2.0 30.2 1.0 NA D:HEM147 2.0 30.2 1.0 NC D:HEM147 2.0 30.2 1.0 NB D:HEM147 2.1 30.2 1.0 NE2 D:HIS92 2.1 19.1 1.0 O D:HOH903 2.2 2.0 1.0 CE1 D:HIS92 2.9 19.1 1.0 C4D D:HEM147 3.0 30.2 1.0 C1D D:HEM147 3.0 30.2 1.0 C1A D:HEM147 3.0 30.2 1.0 C4C D:HEM147 3.0 30.2 1.0 C1C D:HEM147 3.1 30.2 1.0 C4A D:HEM147 3.1 30.2 1.0 C4B D:HEM147 3.1 30.2 1.0 C1B D:HEM147 3.1 30.2 1.0 CD2 D:HIS92 3.1 19.1 1.0 CHD D:HEM147 3.4 30.2 1.0 CHA D:HEM147 3.4 30.2 1.0 CHC D:HEM147 3.5 30.2 1.0 CHB D:HEM147 3.5 30.2 1.0 ND1 D:HIS92 4.1 19.1 1.0 CG D:HIS92 4.2 19.1 1.0 C2D D:HEM147 4.3 30.2 1.0 C3D D:HEM147 4.3 30.2 1.0 C3C D:HEM147 4.3 30.2 1.0 C2C D:HEM147 4.3 30.2 1.0 C2A D:HEM147 4.3 30.2 1.0 C3A D:HEM147 4.3 30.2 1.0 C3B D:HEM147 4.4 30.2 1.0 C2B D:HEM147 4.4 30.2 1.0 NE2 D:HIS63 4.4 29.2 1.0 CE1 D:HIS63 4.7 29.2 1.0

R.Sankaranarayanan, B.K.Biswal, M.Vijayan. A New Relaxed State in Horse Methemoglobin Characterized By Crystallographic Studies. Proteins V. 60 547 2005.
ISSN: ISSN 0887-3585
PubMed: 15887226
DOI: 10.1002/PROT.20510