Iron in PDB 7qyz: Crystal Structure of A Dyp-Type Peroxidase 6E10 Variant From Pseudomonas Putida

The structure of Crystal Structure of A Dyp-Type Peroxidase 6E10 Variant From Pseudomonas Putida, PDB code: 7qyz was solved by P.T.Borges, D.Silva, L.O.Martins, C.Frazao, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.62 / 2.45
Space group	P 2 3
Cell size a, b, c (Å), α, β, γ (°)	108.721, 108.721, 108.721, 90, 90, 90
R / Rfree (%)	22.2 / 25.5

The binding sites of Iron atom in the Crystal Structure of A Dyp-Type Peroxidase 6E10 Variant From Pseudomonas Putida (pdb code 7qyz). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total only one binding site of Iron was determined in the Crystal Structure of A Dyp-Type Peroxidase 6E10 Variant From Pseudomonas Putida, PDB code: 7qyz:

Iron binding site 1 out of 1 in the Crystal Structure of A Dyp-Type Peroxidase 6E10 Variant From Pseudomonas Putida


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure of A Dyp-Type Peroxidase 6E10 Variant From Pseudomonas Putida within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe301 b:63.4 occ:1.00 FE A:HEM301 0.0 63.4 1.0 ND A:HEM301 2.0 64.4 1.0 NB A:HEM301 2.0 63.9 1.0 NA A:HEM301 2.1 65.7 1.0 NC A:HEM301 2.1 67.5 1.0 NE2 A:HIS197 2.1 90.2 1.0 CE1 A:HIS197 3.0 85.0 1.0 C4C A:HEM301 3.0 70.8 1.0 C1D A:HEM301 3.1 67.3 1.0 C1C A:HEM301 3.1 68.9 1.0 C4B A:HEM301 3.1 65.8 1.0 C1A A:HEM301 3.1 66.2 1.0 C4A A:HEM301 3.1 68.1 1.0 C1B A:HEM301 3.1 67.6 1.0 C4D A:HEM301 3.1 67.2 1.0 CD2 A:HIS197 3.2 84.2 1.0 CHD A:HEM301 3.4 69.7 1.0 CHC A:HEM301 3.4 66.6 1.0 CHA A:HEM301 3.4 65.4 1.0 CHB A:HEM301 3.4 68.3 1.0 O A:HOH401 3.7 74.9 1.0 NH1 A:ARG214 3.9 75.9 1.0 ND1 A:HIS197 4.1 85.0 1.0 C2C A:HEM301 4.2 71.5 1.0 C3C A:HEM301 4.3 73.9 1.0 CG A:HIS197 4.3 81.6 1.0 C2D A:HEM301 4.3 67.2 1.0 C3B A:HEM301 4.3 68.4 1.0 C2B A:HEM301 4.3 66.1 1.0 C3D A:HEM301 4.3 71.0 1.0 C2A A:HEM301 4.3 68.9 1.0 C3A A:HEM301 4.3 68.4 1.0 CE1 A:PHE229 4.6 63.5 1.0 CD A:ARG214 4.7 67.3 1.0 CZ A:ARG214 4.9 74.6 1.0 OG1 A:THR201 4.9 90.1 1.0

P.T.Borges, D.Silva, T.F.D.Silva, V.Brissos, M.Canellas, M.F.Lucas, L.Masgrau, E.P.Melo, M.Machuqueiro, C.Frazao, L.O.Martins. Unveiling Molecular Details Behind Improved Activity at Neutral to Alkaline pH of An Engineered Dyp-Type Peroxidase. Comput Struct Biotechnol J V. 20 3899 2022.
ISSN: ESSN 2001-0370
PubMed: 35950185
DOI: 10.1016/J.CSBJ.2022.07.032