Iron in PDB 6ro8: The Crystal Structure of Acinetobacter Radioresistens CYP116B5 Heme Domain

The structure of The Crystal Structure of Acinetobacter Radioresistens CYP116B5 Heme Domain, PDB code: 6ro8 was solved by A.Ciaramella, G.Catucci, G.Gilardi, G.Di Nardo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	91.33 / 2.60
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	109.900, 109.900, 164.200, 90.00, 90.00, 90.00
R / Rfree (%)	20 / 24

The binding sites of Iron atom in the The Crystal Structure of Acinetobacter Radioresistens CYP116B5 Heme Domain (pdb code 6ro8). 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 The Crystal Structure of Acinetobacter Radioresistens CYP116B5 Heme Domain, PDB code: 6ro8:

Iron binding site 1 out of 1 in the The Crystal Structure of Acinetobacter Radioresistens CYP116B5 Heme Domain


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of The Crystal Structure of Acinetobacter Radioresistens CYP116B5 Heme Domain within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe500 b:59.2 occ:1.00 FE A:HEM500 0.0 59.2 1.0 NC A:HEM500 2.0 67.6 1.0 NB A:HEM500 2.0 64.1 1.0 ND A:HEM500 2.1 63.0 1.0 NA A:HEM500 2.1 68.5 1.0 O A:HOH601 2.3 78.7 1.0 SG A:CYS381 2.5 65.1 1.0 C4C A:HEM500 3.0 64.0 1.0 C1D A:HEM500 3.0 61.7 1.0 C1B A:HEM500 3.0 62.7 1.0 C1C A:HEM500 3.1 64.2 1.0 C4B A:HEM500 3.1 63.4 1.0 C4A A:HEM500 3.1 66.5 1.0 C4D A:HEM500 3.1 63.4 1.0 C1A A:HEM500 3.1 59.5 1.0 CB A:CYS381 3.3 61.8 1.0 CHD A:HEM500 3.4 62.8 1.0 CHB A:HEM500 3.4 64.3 1.0 CHC A:HEM500 3.5 58.3 1.0 CHA A:HEM500 3.5 58.4 1.0 O A:HIS501 3.7 90.7 1.0 ND1 A:HIS501 4.0 88.8 1.0 CA A:CYS381 4.1 60.9 1.0 C3C A:HEM500 4.2 70.2 1.0 C2C A:HEM500 4.3 67.5 1.0 C2B A:HEM500 4.3 67.8 1.0 C2D A:HEM500 4.3 64.8 1.0 C3B A:HEM500 4.3 61.5 1.0 C3A A:HEM500 4.3 61.7 1.0 C3D A:HEM500 4.3 67.7 1.0 C2A A:HEM500 4.3 65.6 1.0 C A:HIS501 4.5 68.6 1.0 C A:CYS381 4.7 64.7 1.0 N A:MET382 4.7 68.8 1.0 N A:GLY383 4.8 67.2 1.0 CB A:HIS501 4.8 95.5 1.0 CG A:HIS501 4.8 93.5 1.0 CE1 A:HIS501 4.9 88.2 1.0

A.Ciaramella, G.Catucci, G.Gilardi, G.Di Nardo. Crystal Structure of Bacterial CYP116B5 Heme Domain: New Insights on Class VII P450S Structural Flexibility and Peroxygenase Activity. Int.J.Biol.Macromol. V. 140 577 2019.
ISSN: ISSN 0141-8130
PubMed: 31430491
DOI: 10.1016/J.IJBIOMAC.2019.08.141