Iron in PDB 2z6t: Crystal Structure of the Ferric Peroxo Myoglobin

The structure of Crystal Structure of the Ferric Peroxo Myoglobin, PDB code: 2z6t was solved by M.Unno, S.Kusama, H.Chen, S.Shaik, M.Ikeda-Saito, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	8.00 / 1.20
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	34.336, 30.706, 63.682, 90.00, 105.44, 90.00
R / Rfree (%)	13.1 / 18.5

The binding sites of Iron atom in the Crystal Structure of the Ferric Peroxo Myoglobin (pdb code 2z6t). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total only one binding site of Iron was determined in the Crystal Structure of the Ferric Peroxo Myoglobin, PDB code: 2z6t:

Iron binding site 1 out of 1 in the Crystal Structure of the Ferric Peroxo Myoglobin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure of the Ferric Peroxo Myoglobin within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:7.9 occ:1.00 FE A:HEM201 0.0 7.9 1.0 O1 A:PER401 1.9 12.4 1.0 ND A:HEM201 2.0 7.3 1.0 NC A:HEM201 2.0 7.3 1.0 NA A:HEM201 2.0 7.7 1.0 NB A:HEM201 2.1 7.3 1.0 NE2 A:HIS93 2.1 6.9 1.0 O2 A:PER401 2.8 21.5 1.0 C1D A:HEM201 3.0 7.3 1.0 C4C A:HEM201 3.0 7.4 1.0 C4A A:HEM201 3.0 7.5 1.0 C1C A:HEM201 3.1 7.4 1.0 CE1 A:HIS93 3.1 10.6 1.0 C4D A:HEM201 3.1 8.3 1.0 C1A A:HEM201 3.1 8.1 1.0 C4B A:HEM201 3.1 7.2 1.0 C1B A:HEM201 3.1 7.3 1.0 CD2 A:HIS93 3.1 6.9 1.0 CHA A:HEM201 3.4 8.0 1.0 CHD A:HEM201 3.4 7.8 1.0 CHC A:HEM201 3.4 8.8 1.0 CHB A:HEM201 3.5 7.6 1.0 ND1 A:HIS93 4.2 9.9 1.0 C2D A:HEM201 4.2 8.5 1.0 C3D A:HEM201 4.2 9.4 1.0 C2C A:HEM201 4.3 7.3 1.0 C3C A:HEM201 4.3 7.4 1.0 CG A:HIS93 4.3 8.1 1.0 C2B A:HEM201 4.3 7.1 1.0 C2A A:HEM201 4.3 7.8 1.0 C3A A:HEM201 4.3 7.5 1.0 C3B A:HEM201 4.3 7.2 1.0 NE2 A:HIS64 4.5 10.7 0.5 CE1 A:HIS64 4.6 9.6 0.5 NE2 A:HIS64 4.6 9.5 0.5 CG2 A:VAL68 4.7 7.6 1.0 CE1 A:HIS64 4.9 8.9 0.5

M.Unno, H.Chen, S.Kusama, S.Shaik, M.Ikeda-Saito. Structural Characterization of the Fleeting Ferric Peroxo Species in Myoglobin: Experiment and Theory J.Am.Chem.Soc. V. 129 13394 2007.
ISSN: ISSN 0002-7863
PubMed: 17929929
DOI: 10.1021/JA076108X