Iron in PDB 8pxp: Compound II Structure of Y389F Variant of A Type Dye-Decolourising Peroxidase Dtpaa

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

Resolution Low / High (Å)	43.88 / 2.01
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	74.939, 67.543, 70.797, 90, 104.77, 90
R / Rfree (%)	21 / 25

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

Iron binding site 1 out of 2 in the Compound II 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 Compound II 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:17.0 occ:1.00 FE A:HEM501 0.0 17.0 1.0 O A:O502 1.8 18.4 1.0 NC A:HEM501 2.0 16.9 1.0 NA A:HEM501 2.0 19.6 1.0 NB A:HEM501 2.1 15.1 1.0 ND A:HEM501 2.1 21.0 1.0 NE2 A:HIS326 2.2 15.9 1.0 C4C A:HEM501 3.0 17.8 1.0 C1C A:HEM501 3.0 19.7 1.0 C4A A:HEM501 3.0 17.6 1.0 C1D A:HEM501 3.0 18.9 1.0 C1A A:HEM501 3.1 17.0 1.0 C4B A:HEM501 3.1 18.1 1.0 C1B A:HEM501 3.1 17.0 1.0 CE1 A:HIS326 3.1 17.3 1.0 C4D A:HEM501 3.1 20.2 1.0 HE1 A:HIS326 3.2 20.7 1.0 CD2 A:HIS326 3.3 17.2 1.0 CHD A:HEM501 3.4 15.6 1.0 CHC A:HEM501 3.4 17.1 1.0 CHB A:HEM501 3.4 16.3 1.0 CHA A:HEM501 3.5 16.0 1.0 HH11 A:ARG342 3.5 22.2 1.0 HD2 A:HIS326 3.5 20.6 1.0 NH1 A:ARG342 4.0 18.5 1.0 O A:HOH681 4.0 23.9 1.0 HD2 A:ARG342 4.1 24.6 1.0 HE1 A:PHE363 4.1 17.1 1.0 HD3 A:ARG342 4.2 24.6 1.0 HH12 A:ARG342 4.2 22.2 1.0 C3C A:HEM501 4.2 19.6 1.0 C2C A:HEM501 4.2 17.2 1.0 ND1 A:HIS326 4.2 18.0 1.0 C3A A:HEM501 4.3 19.0 1.0 C2A A:HEM501 4.3 18.9 1.0 C2D A:HEM501 4.3 20.7 1.0 C3B A:HEM501 4.3 18.1 1.0 C2B A:HEM501 4.3 17.8 1.0 C3D A:HEM501 4.3 18.5 1.0 HHD A:HEM501 4.4 18.7 1.0 CG A:HIS326 4.4 16.4 1.0 HHC A:HEM501 4.4 20.5 1.0 HHB A:HEM501 4.4 19.5 1.0 HHA A:HEM501 4.4 19.2 1.0 CD A:ARG342 4.5 20.5 1.0 OD1 A:ASP239 4.7 19.8 1.0 CZ A:ARG342 4.8 18.0 1.0 HE1 A:PHE297 4.8 20.4 1.0 CE1 A:PHE363 4.9 14.2 1.0 NE A:ARG342 5.0 17.7 1.0

Iron binding site 2 out of 2 in the Compound II 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 Compound II 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:17.6 occ:1.00 FE B:HEM501 0.0 17.6 1.0 O B:O502 1.9 17.6 1.0 ND B:HEM501 2.0 14.8 1.0 NC B:HEM501 2.0 20.9 1.0 NB B:HEM501 2.0 24.2 1.0 NA B:HEM501 2.0 20.2 1.0 NE2 B:HIS326 2.3 22.2 1.0 C1D B:HEM501 3.0 21.2 1.0 C4C B:HEM501 3.0 19.9 1.0 C4A B:HEM501 3.0 16.8 1.0 C1B B:HEM501 3.0 18.6 1.0 C1C B:HEM501 3.1 22.5 1.0 C4D B:HEM501 3.1 18.8 1.0 C4B B:HEM501 3.1 21.6 1.0 C1A B:HEM501 3.1 17.1 1.0 CE1 B:HIS326 3.2 20.1 1.0 CD2 B:HIS326 3.2 23.8 1.0 HE1 B:HIS326 3.4 24.1 1.0 CHD B:HEM501 3.4 21.3 1.0 CHB B:HEM501 3.4 20.4 1.0 HD2 B:HIS326 3.4 28.5 1.0 CHC B:HEM501 3.4 23.6 1.0 CHA B:HEM501 3.5 15.5 1.0 HH11 B:ARG342 3.6 28.3 1.0 O B:HOH623 4.0 27.5 1.0 NH1 B:ARG342 4.0 23.6 1.0 HE1 B:PHE363 4.2 30.2 1.0 HH12 B:ARG342 4.2 28.3 1.0 C3C B:HEM501 4.2 22.8 1.0 C2D B:HEM501 4.2 18.6 1.0 C3A B:HEM501 4.2 23.9 1.0 C2C B:HEM501 4.3 21.3 1.0 C2B B:HEM501 4.3 21.0 1.0 C3D B:HEM501 4.3 19.7 1.0 C3B B:HEM501 4.3 22.1 1.0 C2A B:HEM501 4.3 20.9 1.0 HD2 B:ARG342 4.3 22.4 1.0 ND1 B:HIS326 4.3 22.9 1.0 HD3 B:ARG342 4.3 22.4 1.0 HHD B:HEM501 4.4 25.6 1.0 CG B:HIS326 4.4 20.5 1.0 HHB B:HEM501 4.4 24.5 1.0 HHC B:HEM501 4.4 28.3 1.0 HHA B:HEM501 4.4 18.6 1.0 CD B:ARG342 4.7 18.6 1.0 HE1 B:PHE297 4.8 23.7 1.0 CZ B:ARG342 4.8 20.2 1.0 OD1 B:ASP239 4.9 25.2 1.0 CE1 B:PHE363 5.0 25.2 1.0

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