Iron in PDB 6tb8: Dye Type Peroxidase Aa From Streptomyces Lividans: Spectroscopically- Validated Ferric State

The structure of Dye Type Peroxidase Aa From Streptomyces Lividans: Spectroscopically- Validated Ferric State, PDB code: 6tb8 was solved by M.Lucic, T.M.Moreno-Chicano, M.A.Hough, F.S.N.Dworkowski, J.A.R.Worrall, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.68 / 1.80
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	71.400, 67.590, 72.900, 90.00, 105.47, 90.00
R / Rfree (%)	15.1 / 19.9

The binding sites of Iron atom in the Dye Type Peroxidase Aa From Streptomyces Lividans: Spectroscopically- Validated Ferric State (pdb code 6tb8). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Dye Type Peroxidase Aa From Streptomyces Lividans: Spectroscopically- Validated Ferric State, PDB code: 6tb8:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Dye Type Peroxidase Aa From Streptomyces Lividans: Spectroscopically- Validated Ferric State


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Dye Type Peroxidase Aa From Streptomyces Lividans: Spectroscopically- Validated Ferric State within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe501 b:12.1 occ:1.00 FE A:HEM501 0.0 12.1 1.0 ND A:HEM501 2.0 10.5 1.0 NA A:HEM501 2.0 11.1 1.0 NC A:HEM501 2.1 11.0 1.0 NB A:HEM501 2.1 11.7 1.0 NE2 A:HIS326 2.2 12.0 1.0 O A:HOH700 2.3 12.6 1.0 C4D A:HEM501 3.0 15.6 1.0 C1A A:HEM501 3.0 13.9 1.0 C1C A:HEM501 3.1 13.5 1.0 C4A A:HEM501 3.1 13.9 1.0 C1B A:HEM501 3.1 10.8 1.0 C1D A:HEM501 3.1 12.4 1.0 C4C A:HEM501 3.1 10.8 1.0 C4B A:HEM501 3.1 14.4 1.0 CE1 A:HIS326 3.1 14.4 1.0 CD2 A:HIS326 3.2 14.5 1.0 CHA A:HEM501 3.4 13.3 1.0 CHB A:HEM501 3.4 13.7 1.0 CHC A:HEM501 3.5 14.5 1.0 CHD A:HEM501 3.5 12.3 1.0 NH1 A:ARG342 4.2 12.3 1.0 ND1 A:HIS326 4.2 14.5 1.0 C3D A:HEM501 4.3 12.6 1.0 C2D A:HEM501 4.3 12.4 1.0 C2C A:HEM501 4.3 11.9 1.0 C3A A:HEM501 4.3 13.3 1.0 C2A A:HEM501 4.3 13.3 1.0 C2B A:HEM501 4.3 11.2 1.0 C3C A:HEM501 4.3 14.1 1.0 CG A:HIS326 4.3 14.0 1.0 O A:HOH675 4.3 14.6 1.0 C3B A:HEM501 4.3 11.3 1.0 OD1 A:ASP239 4.5 15.6 1.0 CD A:ARG342 4.9 14.2 1.0

Iron binding site 2 out of 2 in the Dye Type Peroxidase Aa From Streptomyces Lividans: Spectroscopically- Validated Ferric State


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Dye Type Peroxidase Aa From Streptomyces Lividans: Spectroscopically- Validated Ferric State within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe501 b:13.1 occ:1.00 FE B:HEM501 0.0 13.1 1.0 NC B:HEM501 2.0 13.3 1.0 NA B:HEM501 2.0 11.1 1.0 ND B:HEM501 2.0 12.8 1.0 NB B:HEM501 2.0 11.4 1.0 NE2 B:HIS326 2.2 10.3 1.0 O B:HOH675 2.3 14.5 1.0 C1C B:HEM501 3.0 14.1 1.0 C4B B:HEM501 3.0 15.0 1.0 C4A B:HEM501 3.0 9.9 1.0 CE1 B:HIS326 3.0 15.6 1.0 C4D B:HEM501 3.1 11.1 1.0 C1A B:HEM501 3.1 8.2 1.0 C1D B:HEM501 3.1 12.4 1.0 C4C B:HEM501 3.1 16.1 1.0 C1B B:HEM501 3.1 12.7 1.0 CD2 B:HIS326 3.2 11.4 1.0 CHC B:HEM501 3.4 12.9 1.0 CHA B:HEM501 3.4 9.9 1.0 CHD B:HEM501 3.4 14.0 1.0 CHB B:HEM501 3.5 9.8 1.0 ND1 B:HIS326 4.2 16.5 1.0 NH1 B:ARG342 4.2 19.0 1.0 C3A B:HEM501 4.2 11.6 1.0 C2A B:HEM501 4.3 14.7 1.0 C3B B:HEM501 4.3 14.5 1.0 C2C B:HEM501 4.3 15.1 1.0 C3D B:HEM501 4.3 10.5 1.0 C3C B:HEM501 4.3 16.3 1.0 C2D B:HEM501 4.3 13.2 1.0 CG B:HIS326 4.3 11.1 1.0 C2B B:HEM501 4.3 12.5 1.0 OD1 B:ASP239 4.7 18.9 1.0 CD B:ARG342 4.9 16.0 1.0 CZ B:ARG342 5.0 12.9 1.0

M.Lucic, A.K.Chaplin, T.Moreno-Chicano, F.S.N.Dworkowski, M.T.Wilson, D.A.Svistunenko, M.A.Hough, J.A.R.Worrall. A Subtle Structural Change in the Distal Haem Pocket Has A Remarkable Effect on Tuning Hydrogen Peroxide Reactivity in Dye Decolourising Peroxidases From Streptomyces Lividans. Dalton Trans V. 49 1620 2020.
ISSN: ESSN 1477-9234
PubMed: 31942590
DOI: 10.1039/C9DT04583J