Iron in PDB 8pxq: Sfx Ferric Structure of Y389F Variant of A Type Dye-Decolourising Peroxidase Dtpaa

The structure of Sfx Ferric Structure of Y389F Variant of A Type Dye-Decolourising Peroxidase Dtpaa, PDB code: 8pxq was solved by M.Lucic, J.A.R.Worrall, M.A.Hough, H.Pfalzgraf, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.85 / 1.70
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	72.567, 68.14, 74.8, 90, 105.5, 90
R / Rfree (%)	16.7 / 20.5

The binding sites of Iron atom in the Sfx Ferric Structure of Y389F Variant of A Type Dye-Decolourising Peroxidase Dtpaa (pdb code 8pxq). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Sfx Ferric Structure of Y389F Variant of A Type Dye-Decolourising Peroxidase Dtpaa, PDB code: 8pxq:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Sfx Ferric Structure of Y389F Variant of A Type Dye-Decolourising Peroxidase Dtpaa


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Sfx Ferric Structure of Y389F Variant of A Type Dye-Decolourising Peroxidase Dtpaa within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe501 b:12.2 occ:1.00 FE A:HEM501 0.0 12.2 1.0 NA A:HEM501 2.0 12.1 1.0 ND A:HEM501 2.0 10.6 1.0 NC A:HEM501 2.1 10.4 1.0 NB A:HEM501 2.1 11.5 1.0 NE2 A:HIS326 2.1 13.4 1.0 O A:HOH700 2.4 12.3 1.0 C4D A:HEM501 3.0 11.1 1.0 C4B A:HEM501 3.0 13.2 1.0 C1A A:HEM501 3.0 11.9 1.0 C1D A:HEM501 3.0 10.2 1.0 C1B A:HEM501 3.0 9.8 1.0 C4C A:HEM501 3.0 11.5 1.0 C1C A:HEM501 3.1 12.7 1.0 C4A A:HEM501 3.1 11.7 1.0 CE1 A:HIS326 3.1 16.3 1.0 CD2 A:HIS326 3.2 13.3 1.0 CHA A:HEM501 3.4 10.9 1.0 CHC A:HEM501 3.4 11.8 1.0 CHB A:HEM501 3.4 12.0 1.0 CHD A:HEM501 3.4 10.6 1.0 C3C A:HEM501 4.2 11.8 1.0 ND1 A:HIS326 4.2 13.8 1.0 C2C A:HEM501 4.2 13.6 1.0 C2B A:HEM501 4.3 10.7 1.0 C3A A:HEM501 4.3 11.0 1.0 C2A A:HEM501 4.3 10.0 1.0 C3D A:HEM501 4.3 11.6 1.0 CG A:HIS326 4.3 14.1 1.0 C3B A:HEM501 4.3 12.0 1.0 NH1 A:ARG342 4.3 13.7 1.0 O A:HOH640 4.3 14.9 1.0 C2D A:HEM501 4.3 11.6 1.0 OD1 A:ASP239 4.7 13.1 1.0 CD A:ARG342 4.9 13.4 1.0

Iron binding site 2 out of 2 in the Sfx Ferric Structure of Y389F Variant of A Type Dye-Decolourising Peroxidase Dtpaa


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Sfx Ferric Structure of Y389F Variant of A Type Dye-Decolourising Peroxidase Dtpaa within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe501 b:12.6 occ:1.00 FE B:HEM501 0.0 12.6 1.0 ND B:HEM501 2.0 12.9 1.0 NC B:HEM501 2.0 12.1 1.0 NA B:HEM501 2.0 12.7 1.0 NB B:HEM501 2.1 12.7 1.0 NE2 B:HIS326 2.1 11.5 1.0 O B:HOH634 2.7 25.5 1.0 C1D B:HEM501 3.0 12.4 1.0 C4B B:HEM501 3.0 11.4 1.0 C4D B:HEM501 3.0 11.3 1.0 C4C B:HEM501 3.0 11.7 1.0 C1B B:HEM501 3.0 12.5 1.0 CE1 B:HIS326 3.0 13.2 1.0 C4A B:HEM501 3.1 12.1 1.0 C1A B:HEM501 3.1 13.7 1.0 C1C B:HEM501 3.1 12.8 1.0 CD2 B:HIS326 3.1 13.0 1.0 CHD B:HEM501 3.4 11.1 1.0 CHB B:HEM501 3.4 13.0 1.0 CHC B:HEM501 3.5 10.8 1.0 CHA B:HEM501 3.5 12.6 1.0 ND1 B:HIS326 4.2 13.7 1.0 C3B B:HEM501 4.2 13.9 1.0 CG B:HIS326 4.2 11.5 1.0 C2D B:HEM501 4.2 11.8 1.0 C3A B:HEM501 4.3 14.3 1.0 C2B B:HEM501 4.3 12.7 1.0 C3D B:HEM501 4.3 12.0 1.0 C3C B:HEM501 4.3 12.5 1.0 C2A B:HEM501 4.3 13.1 1.0 C2C B:HEM501 4.3 11.6 1.0 NH1 B:ARG342 4.3 15.7 1.0

M.Lucic, A.Thompson, J.A.R.Worrall, M.A.Hough. Sfx Ferric Structure of A Type Dye-Decolourising Peroxidase Dtpaa To Be Published.