Iron in PDB 2zlw: Horse Methemoglobin High Salt, pH 7.0 (75% Relative Humidity)

The structure of Horse Methemoglobin High Salt, pH 7.0 (75% Relative Humidity), PDB code: 2zlw 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)	19.92 / 2.90
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	108.272, 63.265, 108.149, 90.00, 111.28, 90.00
R / Rfree (%)	27.4 / 29.4

The binding sites of Iron atom in the Horse Methemoglobin High Salt, pH 7.0 (75% Relative Humidity) (pdb code 2zlw). 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 (75% Relative Humidity), PDB code: 2zlw:
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 (75% 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 (75% Relative Humidity) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe142 b:23.6 occ:1.00 FE A:HEM142 0.0 23.6 1.0 NB A:HEM142 1.9 23.3 1.0 NA A:HEM142 2.0 24.5 1.0 NC A:HEM142 2.0 24.0 1.0 ND A:HEM142 2.1 24.3 1.0 NE2 A:HIS87 2.8 17.4 1.0 C1B A:HEM142 3.0 23.0 1.0 C4A A:HEM142 3.0 24.7 1.0 C4B A:HEM142 3.0 22.6 1.0 C4C A:HEM142 3.1 23.6 1.0 C1C A:HEM142 3.1 23.9 1.0 C1A A:HEM142 3.1 25.2 1.0 C1D A:HEM142 3.1 24.3 1.0 C4D A:HEM142 3.1 25.0 1.0 CHB A:HEM142 3.4 23.9 1.0 CHD A:HEM142 3.4 24.1 1.0 CHC A:HEM142 3.4 23.4 1.0 CHA A:HEM142 3.5 24.7 1.0 CD2 A:HIS87 3.6 17.5 1.0 CE1 A:HIS87 3.8 17.8 1.0 NE2 A:HIS58 4.1 21.3 1.0 C2B A:HEM142 4.2 22.3 1.0 C3B A:HEM142 4.2 21.8 1.0 C3A A:HEM142 4.2 25.2 1.0 C2A A:HEM142 4.3 25.5 1.0 C3D A:HEM142 4.3 24.6 1.0 C3C A:HEM142 4.3 23.3 1.0 C2C A:HEM142 4.3 23.3 1.0 C2D A:HEM142 4.3 24.6 1.0 CE1 A:HIS58 4.5 21.6 1.0 CG A:HIS87 4.8 18.0 1.0 ND1 A:HIS87 4.9 17.5 1.0

Iron binding site 2 out of 4 in the Horse Methemoglobin High Salt, pH 7.0 (75% 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 (75% Relative Humidity) within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe147 b:24.5 occ:1.00 FE B:HEM147 0.0 24.5 1.0 NC B:HEM147 2.0 24.1 1.0 NA B:HEM147 2.0 23.6 1.0 ND B:HEM147 2.1 23.3 1.0 NB B:HEM147 2.1 23.7 1.0 NE2 B:HIS92 2.7 22.3 1.0 C1A B:HEM147 3.0 23.8 1.0 C1C B:HEM147 3.0 23.8 1.0 C4D B:HEM147 3.1 23.1 1.0 C4C B:HEM147 3.1 23.9 1.0 C4B B:HEM147 3.1 22.8 1.0 C4A B:HEM147 3.1 22.7 1.0 C1D B:HEM147 3.2 22.6 1.0 C1B B:HEM147 3.2 22.1 1.0 CD2 B:HIS92 3.2 23.3 1.0 CHA B:HEM147 3.4 23.6 1.0 CHC B:HEM147 3.4 22.7 1.0 CHD B:HEM147 3.5 22.8 1.0 CHB B:HEM147 3.6 21.4 1.0 CE1 B:HIS92 3.9 23.4 1.0 C2C B:HEM147 4.2 23.3 1.0 C2A B:HEM147 4.3 24.2 1.0 C3C B:HEM147 4.3 23.4 1.0 C3A B:HEM147 4.3 22.7 1.0 C3D B:HEM147 4.3 23.1 1.0 NE2 B:HIS63 4.3 14.7 1.0 C2D B:HEM147 4.4 22.5 1.0 C3B B:HEM147 4.4 22.4 1.0 C2B B:HEM147 4.4 21.8 1.0 CG B:HIS92 4.6 24.3 1.0 CG2 B:VAL67 4.8 14.9 1.0 ND1 B:HIS92 4.9 23.7 1.0 CE1 B:HIS63 4.9 14.3 1.0

Iron binding site 3 out of 4 in the Horse Methemoglobin High Salt, pH 7.0 (75% 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 (75% Relative Humidity) within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe142 b:24.1 occ:1.00 FE C:HEM142 0.0 24.1 1.0 NB C:HEM142 1.9 23.5 1.0 NC C:HEM142 2.0 24.3 1.0 NA C:HEM142 2.1 25.3 1.0 ND C:HEM142 2.1 24.8 1.0 NE2 C:HIS87 2.6 28.8 1.0 C1B C:HEM142 3.0 23.4 1.0 C4B C:HEM142 3.0 23.0 1.0 C1C C:HEM142 3.0 23.3 1.0 C4C C:HEM142 3.0 23.8 1.0 C4A C:HEM142 3.1 25.3 1.0 C1D C:HEM142 3.1 24.7 1.0 C1A C:HEM142 3.2 24.8 1.0 C4D C:HEM142 3.2 24.4 1.0 CHC C:HEM142 3.4 22.7 1.0 CHB C:HEM142 3.4 24.3 1.0 CHD C:HEM142 3.4 24.6 1.0 CE1 C:HIS87 3.5 29.7 1.0 CHA C:HEM142 3.6 24.1 1.0 CD2 C:HIS87 3.6 29.1 1.0 NE2 C:HIS58 4.2 17.1 1.0 C2C C:HEM142 4.2 23.1 1.0 C2B C:HEM142 4.2 22.8 1.0 C3B C:HEM142 4.2 22.8 1.0 C3C C:HEM142 4.2 23.8 1.0 C3A C:HEM142 4.3 25.0 1.0 C2A C:HEM142 4.3 25.1 1.0 C2D C:HEM142 4.4 24.2 1.0 C3D C:HEM142 4.4 24.0 1.0 CE1 C:HIS58 4.6 17.6 1.0 ND1 C:HIS87 4.7 30.2 1.0 CG C:HIS87 4.8 29.1 1.0

Iron binding site 4 out of 4 in the Horse Methemoglobin High Salt, pH 7.0 (75% 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 (75% Relative Humidity) within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe147 b:24.7 occ:1.00 FE D:HEM147 0.0 24.7 1.0 NB D:HEM147 1.9 24.1 1.0 NA D:HEM147 2.0 25.6 1.0 NC D:HEM147 2.0 24.2 1.0 ND D:HEM147 2.1 25.3 1.0 NE2 D:HIS92 2.7 17.2 1.0 C4B D:HEM147 3.0 23.7 1.0 C1B D:HEM147 3.0 24.4 1.0 C1C D:HEM147 3.0 23.6 1.0 C4A D:HEM147 3.0 25.9 1.0 C1A D:HEM147 3.1 25.8 1.0 C4C D:HEM147 3.1 23.8 1.0 C4D D:HEM147 3.1 25.2 1.0 C1D D:HEM147 3.2 24.2 1.0 CHC D:HEM147 3.4 23.2 1.0 CHB D:HEM147 3.4 24.6 1.0 CHA D:HEM147 3.5 25.1 1.0 CD2 D:HIS92 3.6 18.5 1.0 CHD D:HEM147 3.6 23.5 1.0 CE1 D:HIS92 3.7 19.2 1.0 C3B D:HEM147 4.2 24.3 1.0 C2B D:HEM147 4.2 24.6 1.0 NE2 D:HIS63 4.2 22.3 1.0 C2C D:HEM147 4.2 22.9 1.0 CG2 D:VAL67 4.2 12.7 1.0 C3A D:HEM147 4.3 26.1 1.0 C2A D:HEM147 4.3 27.2 1.0 C3C D:HEM147 4.3 23.1 1.0 C3D D:HEM147 4.4 24.6 1.0 C2D D:HEM147 4.4 24.2 1.0 CE1 D:HIS63 4.6 22.0 1.0 CG D:HIS92 4.8 19.9 1.0 ND1 D:HIS92 4.8 19.3 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