Iron in PDB 5jhx: Crystal Structure of Fungal MAGKATG2 at pH 3.0

All present enzymatic activity of Crystal Structure of Fungal MAGKATG2 at pH 3.0:
1.11.1.21;

The structure of Crystal Structure of Fungal MAGKATG2 at pH 3.0, PDB code: 5jhx was solved by B.Gasselhuber, C.Obinger, X.Carpena, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 1.40
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	103.220, 109.860, 132.120, 90.00, 90.00, 90.00
R / Rfree (%)	13.8 / 16.1

The binding sites of Iron atom in the Crystal Structure of Fungal MAGKATG2 at pH 3.0 (pdb code 5jhx). 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 Fungal MAGKATG2 at pH 3.0, PDB code: 5jhx:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of Fungal MAGKATG2 at pH 3.0


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 Fungal MAGKATG2 at pH 3.0 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe801 b:10.3 occ:1.00 FE A:HEM801 0.0 10.3 1.0 NC A:HEM801 2.0 9.6 1.0 ND A:HEM801 2.0 10.4 1.0 NA A:HEM801 2.0 10.5 1.0 NB A:HEM801 2.1 9.8 1.0 NE2 A:HIS314 2.2 10.3 1.0 O A:HOH1462 2.6 24.5 1.0 C1D A:HEM801 3.0 9.7 1.0 C4C A:HEM801 3.0 9.0 1.0 C4A A:HEM801 3.1 10.6 1.0 C1C A:HEM801 3.1 9.2 1.0 C1B A:HEM801 3.1 9.6 1.0 C4D A:HEM801 3.1 10.2 1.0 CE1 A:HIS314 3.1 11.1 1.0 C4B A:HEM801 3.1 9.9 1.0 C1A A:HEM801 3.1 10.3 1.0 CD2 A:HIS314 3.1 10.6 1.0 CHD A:HEM801 3.4 9.2 1.0 CHA A:HEM801 3.4 10.3 1.0 CHC A:HEM801 3.4 9.7 1.0 CHB A:HEM801 3.5 10.8 1.0 ND1 A:HIS314 4.2 11.3 1.0 C2D A:HEM801 4.2 9.8 1.0 CG A:HIS314 4.3 10.7 1.0 C3B A:HEM801 4.3 10.3 1.0 C3C A:HEM801 4.3 8.9 1.0 C2A A:HEM801 4.3 9.9 1.0 C2B A:HEM801 4.3 10.5 1.0 C3D A:HEM801 4.3 9.8 1.0 C3A A:HEM801 4.3 11.0 1.0 C2C A:HEM801 4.3 8.2 1.0 NE1 A:TRP140 4.3 10.2 1.0 O A:HOH1579 4.5 29.6 1.0 CD1 A:TRP140 4.6 9.4 1.0 CH2 A:TRP365 4.8 10.7 1.0 CZ2 A:TRP365 5.0 10.7 1.0

Iron binding site 2 out of 2 in the Crystal Structure of Fungal MAGKATG2 at pH 3.0


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 Fungal MAGKATG2 at pH 3.0 within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe1500 b:10.5 occ:1.00 FE B:HEM1500 0.0 10.5 1.0 ND B:HEM1500 2.0 9.5 1.0 NC B:HEM1500 2.0 10.5 1.0 NA B:HEM1500 2.0 11.1 1.0 NB B:HEM1500 2.0 11.1 1.0 NE2 B:HIS314 2.1 10.2 1.0 O B:HOH1995 2.7 25.4 1.0 C1A B:HEM1500 3.0 9.9 1.0 C1D B:HEM1500 3.1 9.3 1.0 C4B B:HEM1500 3.1 10.8 1.0 C4D B:HEM1500 3.1 10.3 1.0 C4A B:HEM1500 3.1 11.0 1.0 C1C B:HEM1500 3.1 10.0 1.0 C1B B:HEM1500 3.1 11.2 1.0 CD2 B:HIS314 3.1 10.0 1.0 C4C B:HEM1500 3.1 9.4 1.0 CE1 B:HIS314 3.1 10.2 1.0 CHD B:HEM1500 3.4 9.5 1.0 CHA B:HEM1500 3.4 9.9 1.0 CHC B:HEM1500 3.4 10.2 1.0 CHB B:HEM1500 3.4 11.3 1.0 ND1 B:HIS314 4.2 10.9 1.0 CG B:HIS314 4.2 10.7 1.0 C2A B:HEM1500 4.3 10.8 1.0 C2C B:HEM1500 4.3 9.6 1.0 C3A B:HEM1500 4.3 11.5 1.0 C2D B:HEM1500 4.3 9.3 1.0 C3B B:HEM1500 4.3 11.3 1.0 C3D B:HEM1500 4.3 10.0 1.0 C2B B:HEM1500 4.3 11.2 1.0 NE1 B:TRP140 4.3 11.0 1.0 C3C B:HEM1500 4.3 9.6 1.0 O B:HOH2327 4.6 31.1 1.0 CD1 B:TRP140 4.6 11.0 1.0 CH2 B:TRP365 4.8 11.5 1.0 CZ2 B:TRP365 5.0 10.9 1.0

B.Gasselhuber, M.M.Graf, C.Jakopitsch, M.Zamocky, A.Nicolussi, P.G.Furtmuller, C.Oostenbrink, X.Carpena, C.Obinger. Interaction with the Redox Cofactor Myw and Functional Role of A Mobile Arginine in Eukaryotic Catalase-Peroxidase. Biochemistry V. 55 3528 2016.
ISSN: ISSN 0006-2960
PubMed: 27293030
DOI: 10.1021/ACS.BIOCHEM.6B00436