Iron in PDB 2z6s: Crystal Structure of the Oxy Myoglobin Free From X-Ray- Induced Photoreduction

The structure of Crystal Structure of the Oxy Myoglobin Free From X-Ray- Induced Photoreduction, PDB code: 2z6s 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 / 1.25
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	34.338, 30.699, 63.674, 90.00, 105.46, 90.00
R / Rfree (%)	18.7 / 18.7

The binding sites of Iron atom in the Crystal Structure of the Oxy Myoglobin Free From X-Ray- Induced Photoreduction (pdb code 2z6s). 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 Oxy Myoglobin Free From X-Ray- Induced Photoreduction, PDB code: 2z6s:

Iron binding site 1 out of 1 in the Crystal Structure of the Oxy Myoglobin Free From X-Ray- Induced Photoreduction


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 Oxy Myoglobin Free From X-Ray- Induced Photoreduction within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:7.1 occ:1.00 FE A:HEM201 0.0 7.1 1.0 O1 A:OXY401 1.8 9.8 1.0 NC A:HEM201 2.0 6.3 1.0 ND A:HEM201 2.0 6.8 1.0 NA A:HEM201 2.0 6.8 1.0 NB A:HEM201 2.0 6.3 1.0 NE2 A:HIS93 2.1 6.3 1.0 O2 A:OXY401 2.7 17.7 1.0 C4C A:HEM201 3.0 6.4 1.0 CE1 A:HIS93 3.0 9.2 1.0 C1C A:HEM201 3.0 6.5 1.0 C1D A:HEM201 3.0 5.9 1.0 C4B A:HEM201 3.1 6.1 1.0 C4D A:HEM201 3.1 7.6 1.0 C1B A:HEM201 3.1 6.5 1.0 CD2 A:HIS93 3.1 6.6 1.0 C1A A:HEM201 3.1 7.1 1.0 C4A A:HEM201 3.1 7.5 1.0 CHD A:HEM201 3.4 7.4 1.0 CHA A:HEM201 3.4 7.6 1.0 CHC A:HEM201 3.4 7.3 1.0 CHB A:HEM201 3.5 7.2 1.0 ND1 A:HIS93 4.2 9.2 1.0 C3D A:HEM201 4.2 7.9 1.0 CG A:HIS93 4.2 7.0 1.0 C3C A:HEM201 4.3 6.3 1.0 C2C A:HEM201 4.3 5.8 1.0 C2D A:HEM201 4.3 7.6 1.0 C2B A:HEM201 4.3 6.2 1.0 C3A A:HEM201 4.3 6.8 1.0 C3B A:HEM201 4.3 6.6 1.0 C2A A:HEM201 4.3 6.9 1.0 NE2 A:HIS64 4.5 9.6 0.5 CE1 A:HIS64 4.6 9.2 0.5 NE2 A:HIS64 4.6 9.0 0.5 CG2 A:VAL68 4.7 6.5 1.0 CE1 A:HIS64 4.9 9.0 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