Iron in PDB 3ut2: Crystal Structure of Fungal MAGKATG2

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

The structure of Crystal Structure of Fungal MAGKATG2, PDB code: 3ut2 was solved by M.Zamocky, M.Q.Garcia-Fernandez, B.Gasselhuber, C.Jakopitsch, P.G.Furtmuller, P.C.Loewen, I.Fita, 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 / 1.55
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	102.993, 109.606, 132.277, 90.00, 90.00, 90.00
R / Rfree (%)	19.7 / 22

The binding sites of Iron atom in the Crystal Structure of Fungal MAGKATG2 (pdb code 3ut2). 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, PDB code: 3ut2:
Jump to Iron binding site number: 1; 2;

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


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 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1500 b:8.8 occ:1.00 FE A:HEM1500 0.0 8.8 1.0 NE2 A:HIS314 2.0 9.1 1.0 NA A:HEM1500 2.0 8.6 1.0 NC A:HEM1500 2.0 7.9 1.0 NB A:HEM1500 2.1 8.2 1.0 ND A:HEM1500 2.1 7.5 1.0 O2 A:TOX140 2.8 15.8 1.0 CE1 A:HIS314 3.0 8.2 1.0 CD2 A:HIS314 3.0 7.6 1.0 C4A A:HEM1500 3.0 7.8 1.0 C4C A:HEM1500 3.0 6.8 1.0 C1C A:HEM1500 3.1 7.9 1.0 C4B A:HEM1500 3.1 7.1 1.0 C1A A:HEM1500 3.1 8.2 1.0 C1B A:HEM1500 3.1 7.7 1.0 C4D A:HEM1500 3.1 6.9 1.0 C1D A:HEM1500 3.1 6.9 1.0 CHC A:HEM1500 3.4 7.4 1.0 CHD A:HEM1500 3.4 6.9 1.0 CHB A:HEM1500 3.4 8.2 1.0 CHA A:HEM1500 3.4 7.8 1.0 O1 A:TOX140 3.5 15.8 1.0 ND1 A:HIS314 4.1 9.3 1.0 CG A:HIS314 4.1 7.6 1.0 C2C A:HEM1500 4.3 7.7 1.0 C3C A:HEM1500 4.3 7.3 1.0 C3A A:HEM1500 4.3 8.7 1.0 C2A A:HEM1500 4.3 8.2 1.0 C3B A:HEM1500 4.3 9.9 1.0 NE1 A:TOX140 4.3 8.9 1.0 C2B A:HEM1500 4.3 7.9 1.0 C3D A:HEM1500 4.3 8.1 1.0 C2D A:HEM1500 4.3 7.8 1.0 CD1 A:TOX140 4.6 8.3 1.0 O A:HOH1374 4.8 20.9 1.0 CH2 A:TRP365 4.9 9.9 1.0

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


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 within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe1500 b:9.1 occ:1.00 FE B:HEM1500 0.0 9.1 1.0 NE2 B:HIS314 2.0 9.6 1.0 NA B:HEM1500 2.0 8.6 1.0 NC B:HEM1500 2.0 9.1 1.0 NB B:HEM1500 2.1 7.7 1.0 ND B:HEM1500 2.1 7.5 1.0 O2 B:TOX140 2.8 15.4 1.0 CE1 B:HIS314 3.0 10.2 1.0 CD2 B:HIS314 3.0 9.7 1.0 C1A B:HEM1500 3.0 8.6 1.0 C4C B:HEM1500 3.0 7.2 1.0 C1C B:HEM1500 3.0 8.3 1.0 C4A B:HEM1500 3.1 8.8 1.0 C4B B:HEM1500 3.1 8.8 1.0 C1B B:HEM1500 3.1 8.4 1.0 C4D B:HEM1500 3.1 7.8 1.0 C1D B:HEM1500 3.1 8.0 1.0 CHA B:HEM1500 3.4 8.6 1.0 CHC B:HEM1500 3.4 8.4 1.0 CHB B:HEM1500 3.4 7.8 1.0 CHD B:HEM1500 3.4 7.8 1.0 O1 B:TOX140 3.5 14.5 1.0 ND1 B:HIS314 4.1 10.4 1.0 CG B:HIS314 4.1 9.5 1.0 C2A B:HEM1500 4.3 7.1 1.0 C3C B:HEM1500 4.3 6.7 1.0 C2C B:HEM1500 4.3 7.4 1.0 NE1 B:TOX140 4.3 9.4 1.0 C3A B:HEM1500 4.3 8.3 1.0 C3B B:HEM1500 4.3 11.1 1.0 C2B B:HEM1500 4.3 8.7 1.0 C3D B:HEM1500 4.3 8.0 1.0 C2D B:HEM1500 4.3 7.7 1.0 CD1 B:TOX140 4.6 9.2 1.0 O B:HOH1495 4.8 19.4 1.0 CH2 B:TRP365 4.9 10.8 1.0

M.Zamocky, Q.Garcia-Fernandez, B.Gasselhuber, C.Jakopitsch, P.G.Furtmuller, P.C.Loewen, I.Fita, C.Obinger, X.Carpena. High Conformational Stability of Secreted Eukaryotic Catalase-Peroxidases: Answers From First Crystal Structure and Unfolding Studies. J.Biol.Chem. V. 287 32254 2012.
ISSN: ISSN 0021-9258
PubMed: 22822072
DOI: 10.1074/JBC.M112.384271