Iron in PDB 5hwz: Crystal Structure of Nitrophorin 4 D30N Mutant with Nitrite

All present enzymatic activity of Crystal Structure of Nitrophorin 4 D30N Mutant with Nitrite:
1.7.6.1;

The structure of Crystal Structure of Nitrophorin 4 D30N Mutant with Nitrite, PDB code: 5hwz was solved by H.Ogata, C.He, W.Lubitz, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	26.23 / 1.45
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	69.779, 43.110, 52.623, 90.00, 94.54, 90.00
R / Rfree (%)	14.9 / 18

The binding sites of Iron atom in the Crystal Structure of Nitrophorin 4 D30N Mutant with Nitrite (pdb code 5hwz). 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 Nitrophorin 4 D30N Mutant with Nitrite, PDB code: 5hwz:

Iron binding site 1 out of 1 in the Crystal Structure of Nitrophorin 4 D30N Mutant with Nitrite


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 Nitrophorin 4 D30N Mutant with Nitrite within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:14.1 occ:1.00 FE A:HEM201 0.0 14.1 1.0 NC A:HEM201 2.0 13.6 1.0 NB A:HEM201 2.0 13.5 1.0 NA A:HEM201 2.0 15.4 1.0 ND A:HEM201 2.0 14.3 1.0 N A:NO2202 2.0 22.1 0.8 NE2 A:HIS59 2.1 12.1 1.0 CE1 A:HIS59 3.0 12.9 1.0 C4C A:HEM201 3.0 15.1 1.0 C1D A:HEM201 3.0 14.4 1.0 C1C A:HEM201 3.0 13.3 1.0 C4B A:HEM201 3.1 13.8 1.0 O2 A:NO2202 3.1 26.9 0.8 C4D A:HEM201 3.1 14.1 1.0 C1B A:HEM201 3.1 15.2 1.0 C1A A:HEM201 3.1 16.5 1.0 O1 A:NO2202 3.1 25.3 0.8 CD2 A:HIS59 3.1 12.3 1.0 C4A A:HEM201 3.1 18.1 1.0 CHD A:HEM201 3.4 14.6 1.0 CHC A:HEM201 3.4 13.0 1.0 CHA A:HEM201 3.4 15.1 1.0 CHB A:HEM201 3.4 16.4 1.0 ND1 A:HIS59 4.1 12.4 1.0 CG A:HIS59 4.2 12.0 1.0 C3C A:HEM201 4.2 14.5 1.0 C2C A:HEM201 4.3 14.6 1.0 C3B A:HEM201 4.3 16.1 1.0 C2D A:HEM201 4.3 14.9 1.0 C2B A:HEM201 4.3 16.4 1.0 C3D A:HEM201 4.3 14.7 1.0 C3A A:HEM201 4.3 19.3 1.0 C2A A:HEM201 4.3 19.5 1.0 CD2 A:LEU133 5.0 14.5 0.6

C.He, H.Ogata, W.Lubitz. Elucidation of the Heme Active Site Electronic Structure Affecting the Unprecedented Nitrite Dismutase Activity of the Ferrihemebproteins, the Nitrophorins. Chem Sci V. 7 5332 2016.
ISSN: ISSN 2041-6520
PubMed: 30155185
DOI: 10.1039/C6SC01019A