Iron in PDB 6i8k: Dye Type Peroxidase Aa From Streptomyces Lividans: 164 Kgy Structure

The structure of Dye Type Peroxidase Aa From Streptomyces Lividans: 164 Kgy Structure, PDB code: 6i8k was solved by A.Ebrahim, T.Moreno-Chicano, J.A.R.Worrall, R.W.Strange, D.Axford, D.A.Sherrell, M.Appleby, R.L.Owen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.63 / 1.98
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	73.008, 68.281, 74.917, 90.00, 105.79, 90.00
R / Rfree (%)	17.2 / 23.2

The binding sites of Iron atom in the Dye Type Peroxidase Aa From Streptomyces Lividans: 164 Kgy Structure (pdb code 6i8k). 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: 164 Kgy Structure, PDB code: 6i8k:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Dye Type Peroxidase Aa From Streptomyces Lividans: 164 Kgy Structure


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: 164 Kgy Structure within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe501 b:20.8 occ:1.00 FE A:HEM501 0.0 20.8 1.0 NB A:HEM501 2.0 17.8 1.0 NC A:HEM501 2.0 20.6 1.0 NA A:HEM501 2.1 20.3 1.0 ND A:HEM501 2.1 26.1 1.0 NE2 A:HIS326 2.2 23.4 1.0 O A:HOH666 3.0 22.6 1.0 C1B A:HEM501 3.0 22.5 1.0 C4C A:HEM501 3.0 23.7 1.0 C4A A:HEM501 3.0 18.1 1.0 C4B A:HEM501 3.0 20.3 1.0 C1C A:HEM501 3.0 21.5 1.0 C1D A:HEM501 3.1 23.3 1.0 C1A A:HEM501 3.1 19.3 1.0 C4D A:HEM501 3.1 20.7 1.0 CD2 A:HIS326 3.1 19.4 1.0 CE1 A:HIS326 3.3 22.1 1.0 CHB A:HEM501 3.3 21.7 1.0 CHD A:HEM501 3.4 23.5 1.0 CHC A:HEM501 3.4 20.9 1.0 CHA A:HEM501 3.5 23.3 1.0 C2B A:HEM501 4.2 20.2 1.0 C3C A:HEM501 4.2 26.2 1.0 C2C A:HEM501 4.2 21.0 1.0 C3A A:HEM501 4.2 20.9 1.0 C3B A:HEM501 4.2 18.4 1.0 NH1 A:ARG342 4.3 21.9 1.0 C2A A:HEM501 4.3 20.4 1.0 CG A:HIS326 4.3 24.3 1.0 C2D A:HEM501 4.3 24.2 1.0 C3D A:HEM501 4.3 22.5 1.0 ND1 A:HIS326 4.3 23.0 1.0 CD A:ARG342 4.7 25.8 1.0 OD1 A:ASP239 4.9 19.6 1.0 CZ A:ARG342 5.0 27.8 1.0

Iron binding site 2 out of 2 in the Dye Type Peroxidase Aa From Streptomyces Lividans: 164 Kgy Structure


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: 164 Kgy Structure within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe501 b:20.0 occ:1.00 FE B:HEM501 0.0 20.0 1.0 NC B:HEM501 2.0 21.3 1.0 ND B:HEM501 2.0 21.3 1.0 NB B:HEM501 2.1 19.7 1.0 NA B:HEM501 2.1 19.7 1.0 NE2 B:HIS326 2.3 26.3 1.0 C4C B:HEM501 3.0 24.6 1.0 C1D B:HEM501 3.0 24.1 1.0 C1B B:HEM501 3.0 21.6 1.0 C4A B:HEM501 3.0 21.5 1.0 C1C B:HEM501 3.1 21.6 1.0 C4D B:HEM501 3.1 20.8 1.0 C4B B:HEM501 3.1 20.5 1.0 C1A B:HEM501 3.1 22.1 1.0 CE1 B:HIS326 3.2 30.0 1.0 CD2 B:HIS326 3.2 24.7 1.0 CHD B:HEM501 3.4 19.8 1.0 CHB B:HEM501 3.4 22.4 1.0 CHC B:HEM501 3.5 21.5 1.0 CHA B:HEM501 3.5 23.9 1.0 NH1 B:ARG342 4.2 20.3 1.0 C3C B:HEM501 4.2 19.6 1.0 C2D B:HEM501 4.3 22.0 1.0 C2B B:HEM501 4.3 21.4 1.0 C2C B:HEM501 4.3 19.2 1.0 C3A B:HEM501 4.3 23.4 1.0 C3D B:HEM501 4.3 20.1 1.0 C2A B:HEM501 4.3 24.3 1.0 C3B B:HEM501 4.3 18.5 1.0 ND1 B:HIS326 4.3 31.7 1.0 CG B:HIS326 4.4 29.2 1.0 CD B:ARG342 4.9 25.0 1.0 CZ B:ARG342 4.9 22.4 1.0

A.Ebrahim, T.Moreno-Chicano, M.V.Appleby, A.K.Chaplin, J.H.Beale, D.A.Sherrell, H.M.E.Duyvesteyn, S.Owada, K.Tono, H.Sugimoto, R.W.Strange, J.A.R.Worrall, D.Axford, R.L.Owen, M.A.Hough. Dose-Resolved Serial Synchrotron and Xfel Structures of Radiation-Sensitive Metalloproteins. Iucrj V. 6 543 2019.
ISSN: ESSN 2052-2525
PubMed: 31316799
DOI: 10.1107/S2052252519003956