Iron in PDB 2zlx: Horse Methemoglobin High Salt, pH 7.0 (66% Relative Humidity)

The structure of Horse Methemoglobin High Salt, pH 7.0 (66% Relative Humidity), PDB code: 2zlx was solved by P.S.Kaushal, R.Sankaranarayanan, M.Vijayan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.54 / 2.80
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	108.445, 63.398, 102.590, 90.00, 120.98, 90.00
R / Rfree (%)	26 / 29.3

The binding sites of Iron atom in the Horse Methemoglobin High Salt, pH 7.0 (66% Relative Humidity) (pdb code 2zlx). 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 High Salt, pH 7.0 (66% Relative Humidity), PDB code: 2zlx:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Horse Methemoglobin High Salt, pH 7.0 (66% 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 High Salt, pH 7.0 (66% Relative Humidity) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe142 b:41.7 occ:1.00 FE A:HEM142 0.0 41.7 1.0 NC A:HEM142 2.0 41.2 1.0 NB A:HEM142 2.0 41.7 1.0 NA A:HEM142 2.1 42.8 1.0 ND A:HEM142 2.1 43.1 1.0 NE2 A:HIS87 2.2 20.7 1.0 C4C A:HEM142 3.0 41.3 1.0 C1C A:HEM142 3.0 40.8 1.0 C4B A:HEM142 3.0 41.5 1.0 C1B A:HEM142 3.0 41.5 1.0 C4A A:HEM142 3.0 43.5 1.0 C1D A:HEM142 3.1 43.1 1.0 C1A A:HEM142 3.2 43.0 1.0 C4D A:HEM142 3.2 42.8 1.0 CD2 A:HIS87 3.2 21.1 1.0 CE1 A:HIS87 3.2 21.1 1.0 CHC A:HEM142 3.4 41.1 1.0 CHD A:HEM142 3.4 42.2 1.0 CHB A:HEM142 3.4 43.2 1.0 CHA A:HEM142 3.6 43.0 1.0 NE2 A:HIS58 4.2 22.8 1.0 C2C A:HEM142 4.2 40.7 1.0 C3C A:HEM142 4.2 40.5 1.0 CE1 A:HIS58 4.2 23.2 1.0 C2B A:HEM142 4.3 41.3 1.0 C3B A:HEM142 4.3 41.6 1.0 C3A A:HEM142 4.3 43.6 1.0 C2D A:HEM142 4.3 42.7 1.0 ND1 A:HIS87 4.3 21.8 1.0 C2A A:HEM142 4.3 44.0 1.0 CG A:HIS87 4.4 23.0 1.0 C3D A:HEM142 4.4 42.4 1.0 CG2 A:VAL62 4.9 43.0 1.0

Iron binding site 2 out of 4 in the Horse Methemoglobin High Salt, pH 7.0 (66% 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 High Salt, pH 7.0 (66% Relative Humidity) within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe147 b:52.4 occ:1.00 FE B:HEM147 0.0 52.4 1.0 NB B:HEM147 2.0 51.8 1.0 NA B:HEM147 2.0 52.7 1.0 NC B:HEM147 2.1 52.0 1.0 ND B:HEM147 2.1 52.9 1.0 NE2 B:HIS92 2.4 37.0 1.0 CE1 B:HIS92 2.9 36.5 1.0 C1B B:HEM147 3.1 51.8 1.0 C4B B:HEM147 3.1 52.2 1.0 C4A B:HEM147 3.1 52.6 1.0 C4C B:HEM147 3.1 52.1 1.0 C1A B:HEM147 3.1 52.8 1.0 C1D B:HEM147 3.1 52.7 1.0 C1C B:HEM147 3.1 52.0 1.0 C4D B:HEM147 3.1 53.0 1.0 CHB B:HEM147 3.4 52.5 1.0 CHD B:HEM147 3.4 52.7 1.0 CHC B:HEM147 3.4 51.8 1.0 CHA B:HEM147 3.5 52.9 1.0 CD2 B:HIS92 3.6 37.7 1.0 ND1 B:HIS92 4.2 36.5 1.0 C2B B:HEM147 4.3 52.1 1.0 C3B B:HEM147 4.3 52.3 1.0 C3A B:HEM147 4.3 52.7 1.0 C2A B:HEM147 4.3 53.2 1.0 C3C B:HEM147 4.3 51.8 1.0 C2D B:HEM147 4.3 53.0 1.0 C2C B:HEM147 4.3 52.2 1.0 C3D B:HEM147 4.4 53.1 1.0 NE2 B:HIS63 4.4 17.3 1.0 CG B:HIS92 4.5 38.7 1.0 CE1 B:HIS63 4.9 17.5 1.0

Iron binding site 3 out of 4 in the Horse Methemoglobin High Salt, pH 7.0 (66% 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 High Salt, pH 7.0 (66% Relative Humidity) within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe142 b:41.3 occ:1.00 FE C:HEM142 0.0 41.3 1.0 NC C:HEM142 2.0 41.1 1.0 ND C:HEM142 2.0 41.7 1.0 NB C:HEM142 2.0 41.7 1.0 NA C:HEM142 2.1 41.7 1.0 NE2 C:HIS87 2.5 16.8 1.0 C1D C:HEM142 3.0 42.6 1.0 C4C C:HEM142 3.0 41.6 1.0 C1C C:HEM142 3.1 41.3 1.0 C4B C:HEM142 3.1 41.2 1.0 C4D C:HEM142 3.1 42.8 1.0 C1A C:HEM142 3.1 43.3 1.0 C1B C:HEM142 3.1 41.5 1.0 C4A C:HEM142 3.1 42.1 1.0 CHD C:HEM142 3.4 42.2 1.0 CD2 C:HIS87 3.4 17.7 1.0 CHC C:HEM142 3.4 41.4 1.0 CHA C:HEM142 3.5 43.4 1.0 CHB C:HEM142 3.5 42.1 1.0 CE1 C:HIS87 3.6 15.6 1.0 NE2 C:HIS58 3.7 35.1 1.0 CE1 C:HIS58 3.9 34.5 1.0 C2D C:HEM142 4.3 42.7 1.0 C3C C:HEM142 4.3 41.9 1.0 C2C C:HEM142 4.3 41.2 1.0 C3B C:HEM142 4.3 41.5 1.0 C2B C:HEM142 4.3 40.9 1.0 C3D C:HEM142 4.3 42.9 1.0 C2A C:HEM142 4.3 43.3 1.0 C3A C:HEM142 4.4 42.9 1.0 CG C:HIS87 4.6 18.9 1.0 CG2 C:VAL62 4.6 17.7 1.0 ND1 C:HIS87 4.6 17.1 1.0

Iron binding site 4 out of 4 in the Horse Methemoglobin High Salt, pH 7.0 (66% 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 High Salt, pH 7.0 (66% Relative Humidity) within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe147 b:48.7 occ:1.00 FE D:HEM147 0.0 48.7 1.0 NC D:HEM147 2.0 48.3 1.0 NB D:HEM147 2.0 47.9 1.0 NA D:HEM147 2.0 48.9 1.0 ND D:HEM147 2.1 48.4 1.0 NE2 D:HIS92 2.3 29.7 1.0 C4C D:HEM147 3.0 48.3 1.0 C1B D:HEM147 3.0 48.4 1.0 C1C D:HEM147 3.1 48.2 1.0 C4A D:HEM147 3.1 48.7 1.0 C4B D:HEM147 3.1 48.3 1.0 C1D D:HEM147 3.1 47.9 1.0 C1A D:HEM147 3.1 48.5 1.0 C4D D:HEM147 3.1 47.9 1.0 CE1 D:HIS92 3.2 30.4 1.0 CD2 D:HIS92 3.3 32.8 1.0 CHD D:HEM147 3.4 48.3 1.0 CHB D:HEM147 3.4 48.8 1.0 CHC D:HEM147 3.4 48.1 1.0 CHA D:HEM147 3.5 48.2 1.0 C3C D:HEM147 4.2 48.2 1.0 C2C D:HEM147 4.2 47.9 1.0 C2B D:HEM147 4.3 48.8 1.0 C3B D:HEM147 4.3 48.6 1.0 C3A D:HEM147 4.3 48.6 1.0 C2D D:HEM147 4.3 47.6 1.0 C2A D:HEM147 4.3 48.8 1.0 C3D D:HEM147 4.3 48.0 1.0 ND1 D:HIS92 4.4 32.5 1.0 NE2 D:HIS63 4.4 17.8 1.0 CG D:HIS92 4.4 35.8 1.0 CG2 D:VAL67 4.7 17.9 1.0

P.S.Kaushal, R.Sankaranarayanan, M.Vijayan. Water-Mediated Variability in the Structure of Relaxed-State Haemoglobin Acta Crystallogr.,Sect.F V. 64 463 2008.
ISSN: ESSN 1744-3091
PubMed: 18540052
DOI: 10.1107/S1744309108013109