Iron in PDB 7biu: Xfel Crystal Structure of Cytochrome C Peroxidase Compound II

The structure of Xfel Crystal Structure of Cytochrome C Peroxidase Compound II, PDB code: 7biu was solved by H.Kwon, T.Tosha, H.Sugimoto, E.L.Raven, P.C.E.Moody, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	13.00 / 1.06
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	50.81, 75.54, 106.57, 90, 90, 90
R / Rfree (%)	n/a / n/a

The binding sites of Iron atom in the Xfel Crystal Structure of Cytochrome C Peroxidase Compound II (pdb code 7biu). 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 Xfel Crystal Structure of Cytochrome C Peroxidase Compound II, PDB code: 7biu:

Iron binding site 1 out of 1 in the Xfel Crystal Structure of Cytochrome C Peroxidase Compound II


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Xfel Crystal Structure of Cytochrome C Peroxidase Compound II within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe301 b:9.1 occ:1.00 FE A:HEC301 0.0 9.1 1.0 O A:HOH444 1.8 11.3 1.0 NB A:HEC301 2.0 10.8 1.0 NC A:HEC301 2.0 9.4 1.0 ND A:HEC301 2.0 9.9 1.0 NA A:HEC301 2.0 10.2 1.0 NE2 A:HIS175 2.1 10.2 1.0 C1C A:HEC301 3.0 9.6 1.0 C4C A:HEC301 3.0 9.6 1.0 C4B A:HEC301 3.0 9.8 1.0 C1B A:HEC301 3.0 10.0 1.0 C1A A:HEC301 3.0 10.2 1.0 CE1 A:HIS175 3.0 10.2 1.0 C1D A:HEC301 3.0 9.6 1.0 C4D A:HEC301 3.0 9.9 1.0 C4A A:HEC301 3.0 9.9 1.0 CD2 A:HIS175 3.1 10.3 1.0 CHA A:HEC301 3.4 10.8 1.0 CHC A:HEC301 3.4 9.9 1.0 CHD A:HEC301 3.4 9.3 1.0 CHB A:HEC301 3.4 10.9 1.0 NE1 A:TRP51 3.9 11.3 1.0 NE A:ARG48 4.0 12.4 1.0 O A:HOH503 4.1 13.2 1.0 ND1 A:HIS175 4.2 9.6 1.0 CG A:HIS175 4.2 10.4 1.0 C2C A:HEC301 4.2 9.2 1.0 C3A A:HEC301 4.2 11.2 1.0 C2D A:HEC301 4.2 9.9 1.0 C2B A:HEC301 4.2 10.0 1.0 C3B A:HEC301 4.2 9.8 1.0 C2A A:HEC301 4.3 11.5 1.0 C3C A:HEC301 4.3 9.6 1.0 C3D A:HEC301 4.3 9.7 1.0 NH2 A:ARG48 4.4 13.2 1.0 CD1 A:TRP51 4.5 10.7 1.0 CZ A:ARG48 4.6 12.4 1.0 CG A:ARG48 4.8 12.0 1.0 CD A:ARG48 4.8 13.9 1.0 CE2 A:TRP51 4.9 10.7 1.0

H.Kwon, J.Basran, C.Pathak, M.Hussain, S.L.Freeman, A.J.Fielding, A.J.Bailey, N.Stefanou, H.A.Sparkes, T.Tosha, K.Yamashita, K.Hirata, H.Murakami, G.Ueno, H.Ago, K.Tono, M.Yamamoto, H.Sawai, Y.Shiro, H.Sugimoto, E.Raven, P.C.E.Moody. Xfel Crystal Structures of Peroxidase Compound II. Angew.Chem.Int.Ed.Engl. 2021.
ISSN: ESSN 1521-3773
PubMed: 33826799
DOI: 10.1002/ANIE.202103010