Iron in PDB 6i43: Sfx Structure of Damage Free Ferric State of Dye Type Peroxidase Aa From Streptomyces Lividans

The structure of Sfx Structure of Damage Free Ferric State of Dye Type Peroxidase Aa From Streptomyces Lividans, PDB code: 6i43 was solved by A.Ebrahim, T.Moreno-Chicano, A.K.Chaplin, D.A.Sherrell, H.M.E.Duyvesteyn, S.Owada, K.Tono, H.Sugimoto, R.W.Strange, J.A.R.Worrall, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.46 / 1.88
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	72.720, 68.180, 74.620, 90.00, 105.58, 90.00
R / Rfree (%)	13.2 / 16.7

The binding sites of Iron atom in the Sfx Structure of Damage Free Ferric State of Dye Type Peroxidase Aa From Streptomyces Lividans (pdb code 6i43). 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 Structure of Damage Free Ferric State of Dye Type Peroxidase Aa From Streptomyces Lividans, PDB code: 6i43:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Sfx Structure of Damage Free Ferric State of Dye Type Peroxidase Aa From Streptomyces Lividans


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Sfx Structure of Damage Free Ferric State of Dye Type Peroxidase Aa From Streptomyces Lividans within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe501 b:27.3 occ:1.00 FE A:HEM501 0.0 27.3 1.0 NA A:HEM501 2.0 26.1 1.0 NC A:HEM501 2.0 24.2 1.0 NB A:HEM501 2.0 24.8 1.0 ND A:HEM501 2.1 25.6 1.0 NE2 A:HIS326 2.2 28.2 1.0 O A:HOH646 2.4 27.5 1.0 C1A A:HEM501 3.0 26.2 1.0 C4A A:HEM501 3.0 25.4 1.0 C1C A:HEM501 3.0 28.3 1.0 C4D A:HEM501 3.1 27.4 1.0 C4C A:HEM501 3.1 26.4 1.0 C1B A:HEM501 3.1 25.7 1.0 C4B A:HEM501 3.1 26.8 1.0 C1D A:HEM501 3.1 27.0 1.0 CE1 A:HIS326 3.1 29.0 1.0 CD2 A:HIS326 3.2 27.5 1.0 CHA A:HEM501 3.4 26.2 1.0 CHB A:HEM501 3.4 26.3 1.0 CHC A:HEM501 3.4 27.0 1.0 CHD A:HEM501 3.4 27.8 1.0 NH1 A:ARG342 4.2 28.9 1.0 C3A A:HEM501 4.2 26.9 1.0 C2A A:HEM501 4.2 24.6 1.0 ND1 A:HIS326 4.3 28.4 1.0 C3C A:HEM501 4.3 27.1 1.0 C2C A:HEM501 4.3 27.2 1.0 C2B A:HEM501 4.3 26.9 1.0 CG A:HIS326 4.3 30.0 1.0 C3B A:HEM501 4.3 26.4 1.0 C3D A:HEM501 4.3 27.9 1.0 C2D A:HEM501 4.3 28.0 1.0 O A:HOH612 4.3 29.8 1.0 OD1 A:ASP239 4.7 27.0 1.0 CD A:ARG342 5.0 27.6 1.0

Iron binding site 2 out of 2 in the Sfx Structure of Damage Free Ferric State of Dye Type Peroxidase Aa From Streptomyces Lividans


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Sfx Structure of Damage Free Ferric State of Dye Type Peroxidase Aa From Streptomyces Lividans within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe501 b:27.5 occ:1.00 FE B:HEM501 0.0 27.5 1.0 ND B:HEM501 2.0 26.9 1.0 NB B:HEM501 2.0 27.2 1.0 NC B:HEM501 2.0 26.4 1.0 NA B:HEM501 2.0 27.4 1.0 NE2 B:HIS326 2.1 28.3 1.0 C1B B:HEM501 3.0 28.6 1.0 C4B B:HEM501 3.0 28.5 1.0 C1D B:HEM501 3.0 26.9 1.0 C1C B:HEM501 3.0 27.7 1.0 C4D B:HEM501 3.1 27.9 1.0 C4A B:HEM501 3.1 28.3 1.0 C4C B:HEM501 3.1 27.3 1.0 C1A B:HEM501 3.1 29.7 1.0 CE1 B:HIS326 3.1 28.2 1.0 CD2 B:HIS326 3.1 28.7 1.0 CHC B:HEM501 3.4 28.3 1.0 CHB B:HEM501 3.4 29.9 1.0 CHD B:HEM501 3.4 27.7 1.0 CHA B:HEM501 3.5 28.5 1.0 ND1 B:HIS326 4.2 30.0 1.0 CG B:HIS326 4.2 29.7 1.0 C2D B:HEM501 4.3 29.0 1.0 C3B B:HEM501 4.3 28.1 1.0 C2B B:HEM501 4.3 30.4 1.0 C3D B:HEM501 4.3 27.2 1.0 C2C B:HEM501 4.3 26.5 1.0 C3C B:HEM501 4.3 27.5 1.0 C3A B:HEM501 4.3 29.8 1.0 C2A B:HEM501 4.3 29.3 1.0 NH1 B:ARG342 4.3 29.9 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