Iron in PDB 6tpo: Conformation of CD1 Nitrite Reductase Nirs Without Bound Heme D1

All present enzymatic activity of Conformation of CD1 Nitrite Reductase Nirs Without Bound Heme D1:
1.7.2.1; 1.7.99.1;

The structure of Conformation of CD1 Nitrite Reductase Nirs Without Bound Heme D1, PDB code: 6tpo was solved by T.Kluenemann, W.Blankenfeldt, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	54.36 / 1.86
Space group	P 43 2 2
Cell size a, b, c (Å), α, β, γ (°)	67.245, 67.245, 277.104, 90.00, 90.00, 90.00
R / Rfree (%)	16.6 / 19.4

The binding sites of Iron atom in the Conformation of CD1 Nitrite Reductase Nirs Without Bound Heme D1 (pdb code 6tpo). 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 Conformation of CD1 Nitrite Reductase Nirs Without Bound Heme D1, PDB code: 6tpo:

Iron binding site 1 out of 1 in the Conformation of CD1 Nitrite Reductase Nirs Without Bound Heme D1


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Conformation of CD1 Nitrite Reductase Nirs Without Bound Heme D1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe903 b:24.7 occ:1.00 FE A:HEC903 0.0 24.7 1.0 NB A:HEC903 2.0 23.5 1.0 NC A:HEC903 2.0 19.9 1.0 NA A:HEC903 2.0 23.7 1.0 ND A:HEC903 2.0 24.5 1.0 NE2 A:HIS51 2.0 24.3 1.0 SD A:MET88 2.3 24.5 1.0 CE1 A:HIS51 2.9 22.9 1.0 C4B A:HEC903 3.0 24.9 1.0 C1D A:HEC903 3.0 24.9 1.0 C4A A:HEC903 3.0 23.8 1.0 C1B A:HEC903 3.0 24.2 1.0 C1C A:HEC903 3.0 25.3 1.0 C4D A:HEC903 3.0 26.3 1.0 C4C A:HEC903 3.0 23.3 1.0 C1A A:HEC903 3.1 29.6 1.0 CD2 A:HIS51 3.1 24.4 1.0 HE1 A:HIS51 3.1 27.5 1.0 HD2 A:HIS51 3.3 29.2 1.0 CE A:MET88 3.4 23.2 1.0 CHD A:HEC903 3.4 23.6 1.0 HE1 A:MET88 3.4 27.8 1.0 CHB A:HEC903 3.4 23.0 1.0 CHC A:HEC903 3.4 25.8 1.0 CHA A:HEC903 3.4 28.4 1.0 HE3 A:MET88 3.5 27.8 1.0 CG A:MET88 3.5 26.6 1.0 HG2 A:MET88 3.6 31.9 1.0 HB2 A:MET88 3.7 33.3 1.0 HA A:MET88 4.0 33.8 1.0 ND1 A:HIS51 4.1 25.2 1.0 CB A:MET88 4.1 27.7 1.0 CG A:HIS51 4.2 24.3 1.0 HD2 A:PRO89 4.2 37.1 1.0 HE2 A:MET88 4.2 27.8 1.0 C3B A:HEC903 4.2 24.1 1.0 C2B A:HEC903 4.2 25.2 1.0 C2D A:HEC903 4.2 25.6 1.0 C3D A:HEC903 4.3 29.6 1.0 C3A A:HEC903 4.3 28.4 1.0 C3C A:HEC903 4.3 21.2 1.0 HD12 A:LEU63 4.3 35.4 1.0 C2A A:HEC903 4.3 34.0 1.0 C2C A:HEC903 4.3 23.9 1.0 HHD A:HEC903 4.3 28.4 1.0 HHB A:HEC903 4.3 27.6 1.0 HHC A:HEC903 4.3 31.0 1.0 HG3 A:MET88 4.4 31.9 1.0 HHA A:HEC903 4.4 34.1 1.0 HE1 A:TRP91 4.4 38.1 1.0 CA A:MET88 4.6 28.2 1.0 HA3 A:GLY60 4.6 56.8 1.0 HD1 A:HIS51 4.9 30.2 1.0 CD A:PRO89 5.0 30.9 1.0 HD3 A:PRO89 5.0 37.1 1.0 HB3 A:MET88 5.0 33.3 1.0

T.Klunemann, W.Blankenfeldt. Structure of Heme D 1 -Free Cd 1 Nitrite Reductase Nirs. Acta Crystallogr.,Sect.F V. 76 250 2020.
ISSN: ESSN 2053-230X
PubMed: 32510465
DOI: 10.1107/S2053230X20006676