Iron in PDB 2zlu: Horse Methemoglobin High Salt, pH 7.0 (88% Relative Humidity)

The structure of Horse Methemoglobin High Salt, pH 7.0 (88% Relative Humidity), PDB code: 2zlu 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)	19.98 / 2.00
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	108.184, 63.336, 54.409, 90.00, 111.09, 90.00
R / Rfree (%)	19.3 / 22.2

The binding sites of Iron atom in the Horse Methemoglobin High Salt, pH 7.0 (88% Relative Humidity) (pdb code 2zlu). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Horse Methemoglobin High Salt, pH 7.0 (88% Relative Humidity), PDB code: 2zlu:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Horse Methemoglobin High Salt, pH 7.0 (88% 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 (88% Relative Humidity) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe142 b:26.8 occ:1.00 FE A:HEM142 0.0 26.8 1.0 NC A:HEM142 2.0 23.6 1.0 ND A:HEM142 2.1 27.5 1.0 NA A:HEM142 2.1 26.8 1.0 NB A:HEM142 2.1 25.6 1.0 O A:HOH221 2.2 24.7 1.0 NE2 A:HIS87 2.3 27.7 1.0 C4C A:HEM142 3.0 22.6 1.0 C1A A:HEM142 3.0 27.0 1.0 C4D A:HEM142 3.1 27.1 1.0 C1C A:HEM142 3.1 24.2 1.0 C1D A:HEM142 3.1 26.2 1.0 CD2 A:HIS87 3.1 27.9 1.0 C4B A:HEM142 3.1 24.7 1.0 C1B A:HEM142 3.1 26.9 1.0 C4A A:HEM142 3.1 26.6 1.0 CHA A:HEM142 3.4 25.6 1.0 CHD A:HEM142 3.4 23.6 1.0 CHC A:HEM142 3.4 23.7 1.0 CE1 A:HIS87 3.4 26.4 1.0 CHB A:HEM142 3.5 27.1 1.0 NE2 A:HIS58 4.2 27.4 1.0 C3C A:HEM142 4.3 22.6 1.0 C2C A:HEM142 4.3 24.1 1.0 C2A A:HEM142 4.3 29.5 1.0 C2D A:HEM142 4.3 25.5 1.0 C3D A:HEM142 4.3 28.0 1.0 CG A:HIS87 4.3 28.5 1.0 C3B A:HEM142 4.3 24.3 1.0 C3A A:HEM142 4.3 28.2 1.0 C2B A:HEM142 4.3 25.6 1.0 ND1 A:HIS87 4.5 25.4 1.0 CE1 A:HIS58 4.6 30.8 1.0

Iron binding site 2 out of 2 in the Horse Methemoglobin High Salt, pH 7.0 (88% 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 (88% Relative Humidity) within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe147 b:27.5 occ:1.00 FE B:HEM147 0.0 27.5 1.0 NC B:HEM147 2.0 26.4 1.0 NA B:HEM147 2.0 29.6 1.0 NB B:HEM147 2.1 25.6 1.0 ND B:HEM147 2.1 28.4 1.0 O B:HOH230 2.2 22.7 1.0 NE2 B:HIS92 2.3 32.6 1.0 C1C B:HEM147 3.0 26.9 1.0 C4C B:HEM147 3.0 27.4 1.0 C1A B:HEM147 3.1 30.0 1.0 C4B B:HEM147 3.1 27.8 1.0 C4A B:HEM147 3.1 29.6 1.0 C4D B:HEM147 3.1 30.8 1.0 C1D B:HEM147 3.1 27.9 1.0 C1B B:HEM147 3.1 27.4 1.0 CD2 B:HIS92 3.2 33.3 1.0 CHC B:HEM147 3.4 27.5 1.0 CHA B:HEM147 3.4 30.4 1.0 CE1 B:HIS92 3.4 33.3 1.0 CHD B:HEM147 3.5 28.5 1.0 CHB B:HEM147 3.5 30.1 1.0 NE2 B:HIS63 4.2 25.0 1.0 C2C B:HEM147 4.2 27.0 1.0 C3C B:HEM147 4.2 28.6 1.0 C2A B:HEM147 4.3 30.9 1.0 C3A B:HEM147 4.3 32.4 1.0 C3B B:HEM147 4.3 27.7 1.0 C2B B:HEM147 4.3 27.9 1.0 C3D B:HEM147 4.3 30.0 1.0 C2D B:HEM147 4.4 29.0 1.0 CG B:HIS92 4.4 35.4 1.0 ND1 B:HIS92 4.5 32.8 1.0 CE1 B:HIS63 4.7 25.3 1.0 CG2 B:VAL67 4.8 26.5 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