Iron in PDB 5cjh: Crystal Structure of Eukaryotic Oxoiron MAGKATG2 at pH 8.5

All present enzymatic activity of Crystal Structure of Eukaryotic Oxoiron MAGKATG2 at pH 8.5:
1.11.1.21;

The structure of Crystal Structure of Eukaryotic Oxoiron MAGKATG2 at pH 8.5, PDB code: 5cjh was solved by B.Gasselhuber, C.Obinger, I.Fita, X.Carpena, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.94 / 1.60
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	103.530, 109.540, 132.150, 90.00, 90.00, 90.00
R / Rfree (%)	16.5 / 19

The binding sites of Iron atom in the Crystal Structure of Eukaryotic Oxoiron MAGKATG2 at pH 8.5 (pdb code 5cjh). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Crystal Structure of Eukaryotic Oxoiron MAGKATG2 at pH 8.5, PDB code: 5cjh:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of Eukaryotic Oxoiron MAGKATG2 at pH 8.5


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 Eukaryotic Oxoiron MAGKATG2 at pH 8.5 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe801 b:16.4 occ:1.00 FE A:522801 0.0 16.4 1.0 O A:OH802 2.0 19.5 1.0 NA A:522801 2.0 15.8 1.0 NC A:522801 2.1 15.8 1.0 ND A:522801 2.1 16.0 1.0 NB A:522801 2.1 16.0 1.0 NE2 A:HIS314 2.2 16.0 1.0 C1A A:522801 3.0 15.7 1.0 C1C A:522801 3.1 15.9 1.0 C4C A:522801 3.1 15.7 1.0 C4A A:522801 3.1 16.2 1.0 C1D A:522801 3.1 15.8 1.0 C4B A:522801 3.1 16.8 1.0 C4D A:522801 3.1 15.4 1.0 C1B A:522801 3.1 16.5 1.0 CD2 A:HIS314 3.1 16.5 1.0 CE1 A:HIS314 3.2 16.9 1.0 CHA A:522801 3.4 15.4 1.0 CHC A:522801 3.4 16.4 1.0 CHD A:522801 3.5 15.3 1.0 CHB A:522801 3.5 16.6 1.0 O A:HOH960 4.1 28.9 1.0 NE1 A:TRP140 4.2 13.2 1.0 C2A A:522801 4.2 16.4 1.0 C3C A:522801 4.3 15.4 1.0 C2C A:522801 4.3 15.2 1.0 CG A:HIS314 4.3 16.2 1.0 C3A A:522801 4.3 16.3 1.0 C2B A:522801 4.3 17.2 1.0 C2D A:522801 4.3 15.9 1.0 ND1 A:HIS314 4.3 16.9 1.0 C3D A:522801 4.3 15.5 1.0 C3B A:522801 4.3 18.4 1.0 CD1 A:TRP140 4.5 12.8 1.0 O A:HOH1235 4.6 31.7 1.0 CH2 A:TRP365 4.9 19.0 1.0

Iron binding site 2 out of 2 in the Crystal Structure of Eukaryotic Oxoiron MAGKATG2 at pH 8.5


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure of Eukaryotic Oxoiron MAGKATG2 at pH 8.5 within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe801 b:16.8 occ:1.00 FE B:522801 0.0 16.8 1.0 O B:OH802 2.0 20.6 1.0 NA B:522801 2.1 16.9 1.0 NC B:522801 2.1 16.0 1.0 ND B:522801 2.1 15.8 1.0 NB B:522801 2.1 17.2 1.0 NE2 B:HIS314 2.2 17.6 1.0 C1A B:522801 3.1 17.1 1.0 C4A B:522801 3.1 17.2 1.0 C4C B:522801 3.1 15.4 1.0 C1D B:522801 3.1 15.9 1.0 C1C B:522801 3.1 16.0 1.0 C4D B:522801 3.1 16.0 1.0 C1B B:522801 3.1 17.2 1.0 C4B B:522801 3.1 17.8 1.0 CD2 B:HIS314 3.2 17.9 1.0 CE1 B:HIS314 3.2 18.1 1.0 CHD B:522801 3.4 15.9 1.0 CHC B:522801 3.5 16.9 1.0 CHA B:522801 3.5 16.4 1.0 CHB B:522801 3.5 17.6 1.0 O B:HOH1034 4.1 30.9 1.0 NE1 B:TRP140 4.1 13.6 1.0 C2A B:522801 4.3 17.7 1.0 ND1 B:HIS314 4.3 17.6 1.0 C3A B:522801 4.3 17.4 1.0 C3C B:522801 4.3 15.3 1.0 C2D B:522801 4.3 15.6 1.0 C2C B:522801 4.3 16.0 1.0 C3D B:522801 4.3 15.9 1.0 CG B:HIS314 4.3 17.9 1.0 C2B B:522801 4.3 18.0 1.0 C3B B:522801 4.3 19.8 1.0 CD1 B:TRP140 4.4 13.3 1.0 O B:HOH1283 4.4 31.1 1.0 CH2 B:TRP365 4.9 18.5 1.0

B.Gasselhuber, X.Carpena, M.M.Graf, K.F.Pirker, A.Nicolussi, A.Sundermann, S.Hofbauer, M.Zamocky, P.G.Furtmuller, C.Jakopitsch, C.Oostenbrink, I.Fita, C.Obinger. Eukaryotic Catalase-Peroxidase: the Role of the Trp-Tyr-Met Adduct in Protein Stability, Substrate Accessibility, and Catalysis of Hydrogen Peroxide Dismutation. Biochemistry V. 54 5425 2015.
ISSN: ISSN 0006-2960
PubMed: 26290940
DOI: 10.1021/ACS.BIOCHEM.5B00831