Iron in PDB 1y8i: Horse Methemoglobin Low Salt, pH 7.0 (98% Relative Humidity)

The structure of Horse Methemoglobin Low Salt, pH 7.0 (98% Relative Humidity), PDB code: 1y8i 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 / 2.60
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	62.798, 80.907, 112.159, 90.00, 90.00, 90.00
R / Rfree (%)	16.7 / 22.8

The binding sites of Iron atom in the Horse Methemoglobin Low Salt, pH 7.0 (98% Relative Humidity) (pdb code 1y8i). 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 (98% Relative Humidity), PDB code: 1y8i:
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 (98% Relative Humidity)


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 (98% Relative Humidity) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe142 b:22.7 occ:1.00 FE A:HEM142 0.0 22.7 1.0 NA A:HEM142 1.9 27.7 1.0 ND A:HEM142 2.0 26.5 1.0 NB A:HEM142 2.0 24.4 1.0 NC A:HEM142 2.0 22.0 1.0 O A:HOH900 2.1 14.2 1.0 NE2 A:HIS87 2.2 24.4 1.0 C1A A:HEM142 3.0 30.5 1.0 C4A A:HEM142 3.0 29.3 1.0 C1B A:HEM142 3.0 25.1 1.0 C4D A:HEM142 3.0 28.1 1.0 C1D A:HEM142 3.1 27.1 1.0 C4B A:HEM142 3.1 23.9 1.0 C1C A:HEM142 3.1 19.9 1.0 CE1 A:HIS87 3.1 24.0 1.0 C4C A:HEM142 3.1 21.5 1.0 CD2 A:HIS87 3.2 27.6 1.0 CHB A:HEM142 3.4 28.1 1.0 CHA A:HEM142 3.4 28.7 1.0 CHC A:HEM142 3.4 19.8 1.0 CHD A:HEM142 3.5 22.9 1.0 NE2 A:HIS58 4.2 32.0 1.0 C2A A:HEM142 4.2 33.8 1.0 C3A A:HEM142 4.2 31.8 1.0 ND1 A:HIS87 4.2 26.4 1.0 C2B A:HEM142 4.3 26.2 1.0 C3D A:HEM142 4.3 29.4 1.0 C2D A:HEM142 4.3 29.5 1.0 C3B A:HEM142 4.3 26.2 1.0 C2C A:HEM142 4.3 19.7 1.0 CG A:HIS87 4.3 28.3 1.0 C3C A:HEM142 4.4 21.1 1.0 CE1 A:HIS58 4.5 32.7 1.0

Iron binding site 2 out of 4 in the Horse Methemoglobin Low Salt, pH 7.0 (98% Relative Humidity)


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 (98% Relative Humidity) within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe147 b:34.8 occ:1.00 FE B:HEM147 0.0 34.8 1.0 NA B:HEM147 2.0 35.9 1.0 ND B:HEM147 2.0 36.5 1.0 NC B:HEM147 2.0 32.0 1.0 NB B:HEM147 2.0 32.9 1.0 NE2 B:HIS92 2.1 40.4 1.0 O B:HOH901 2.1 7.9 1.0 C1A B:HEM147 3.0 37.1 1.0 C4A B:HEM147 3.0 35.5 1.0 C4D B:HEM147 3.0 38.8 1.0 C1D B:HEM147 3.0 37.5 1.0 C1C B:HEM147 3.1 30.8 1.0 C4B B:HEM147 3.1 32.3 1.0 C4C B:HEM147 3.1 31.3 1.0 CD2 B:HIS92 3.1 46.6 1.0 C1B B:HEM147 3.1 32.9 1.0 CE1 B:HIS92 3.1 44.2 1.0 CHA B:HEM147 3.4 37.9 1.0 CHC B:HEM147 3.4 32.2 1.0 CHB B:HEM147 3.4 34.7 1.0 CHD B:HEM147 3.4 34.9 1.0 ND1 B:HIS92 4.2 45.6 1.0 C2A B:HEM147 4.2 40.5 1.0 CG B:HIS92 4.2 47.3 1.0 C3A B:HEM147 4.3 37.8 1.0 C2C B:HEM147 4.3 31.6 1.0 C2D B:HEM147 4.3 39.2 1.0 C3D B:HEM147 4.3 40.3 1.0 C3C B:HEM147 4.3 31.3 1.0 C3B B:HEM147 4.3 31.4 1.0 C2B B:HEM147 4.3 31.5 1.0 NE2 B:HIS63 4.4 40.8 1.0 CE1 B:HIS63 4.6 39.5 1.0 CG2 B:VAL67 5.0 38.1 1.0

Iron binding site 3 out of 4 in the Horse Methemoglobin Low Salt, pH 7.0 (98% Relative Humidity)


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 (98% Relative Humidity) within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe142 b:19.2 occ:1.00 FE C:HEM142 0.0 19.2 1.0 NA C:HEM142 2.0 23.5 1.0 ND C:HEM142 2.0 23.1 1.0 NB C:HEM142 2.0 18.5 1.0 NC C:HEM142 2.0 18.4 1.0 NE2 C:HIS87 2.1 17.3 1.0 O C:HOH902 2.1 19.6 1.0 CE1 C:HIS87 2.9 17.9 1.0 C1C C:HEM142 3.0 19.2 1.0 C4A C:HEM142 3.0 22.9 1.0 C4D C:HEM142 3.0 23.2 1.0 C1D C:HEM142 3.0 22.7 1.0 C1B C:HEM142 3.0 19.5 1.0 C1A C:HEM142 3.1 24.1 1.0 C4B C:HEM142 3.1 18.0 1.0 C4C C:HEM142 3.1 18.5 1.0 CD2 C:HIS87 3.2 22.1 1.0 CHC C:HEM142 3.4 17.8 1.0 CHA C:HEM142 3.4 23.0 1.0 CHB C:HEM142 3.4 19.7 1.0 CHD C:HEM142 3.4 21.3 1.0 ND1 C:HIS87 4.1 22.5 1.0 C3A C:HEM142 4.3 25.2 1.0 C2C C:HEM142 4.3 16.8 1.0 C3D C:HEM142 4.3 24.5 1.0 C2A C:HEM142 4.3 26.4 1.0 C2D C:HEM142 4.3 24.2 1.0 CG C:HIS87 4.3 23.9 1.0 C3C C:HEM142 4.3 18.1 1.0 NE2 C:HIS58 4.3 20.1 1.0 C2B C:HEM142 4.3 19.8 1.0 C3B C:HEM142 4.3 20.8 1.0 CE1 C:HIS58 4.8 22.4 1.0

Iron binding site 4 out of 4 in the Horse Methemoglobin Low Salt, pH 7.0 (98% Relative Humidity)


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 (98% Relative Humidity) within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe147 b:15.9 occ:1.00 FE D:HEM147 0.0 15.9 1.0 NC D:HEM147 2.0 13.8 1.0 NA D:HEM147 2.0 16.8 1.0 ND D:HEM147 2.0 17.2 1.0 NB D:HEM147 2.0 15.5 1.0 NE2 D:HIS92 2.1 16.8 1.0 O D:HOH903 2.2 15.0 1.0 CE1 D:HIS92 3.0 15.6 1.0 C1C D:HEM147 3.0 14.7 1.0 C1A D:HEM147 3.0 17.9 1.0 C4C D:HEM147 3.0 14.4 1.0 C4A D:HEM147 3.1 19.4 1.0 C4B D:HEM147 3.1 15.8 1.0 C1D D:HEM147 3.1 17.3 1.0 C4D D:HEM147 3.1 17.0 1.0 C1B D:HEM147 3.1 16.1 1.0 CD2 D:HIS92 3.2 17.9 1.0 CHC D:HEM147 3.4 15.5 1.0 CHA D:HEM147 3.4 16.6 1.0 CHD D:HEM147 3.4 14.3 1.0 CHB D:HEM147 3.5 17.5 1.0 ND1 D:HIS92 4.2 17.7 1.0 C2A D:HEM147 4.3 18.9 1.0 C2C D:HEM147 4.3 13.6 1.0 CG D:HIS92 4.3 18.6 1.0 C3C D:HEM147 4.3 12.9 1.0 C3A D:HEM147 4.3 18.8 1.0 C3B D:HEM147 4.3 17.1 1.0 C2D D:HEM147 4.3 20.1 1.0 C3D D:HEM147 4.3 19.2 1.0 C2B D:HEM147 4.3 16.7 1.0 NE2 D:HIS63 4.3 20.8 1.0 CG2 D:VAL67 4.8 17.1 1.0 CE1 D:HIS63 4.8 19.9 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