Iron in PDB 5ngx: The 1.06 A Resolution Structure of the L16G Mutant of Ferric Cytochrome C Prime From Alcaligenes Xylosoxidans, Complexed with Nitrite

The structure of The 1.06 A Resolution Structure of the L16G Mutant of Ferric Cytochrome C Prime From Alcaligenes Xylosoxidans, Complexed with Nitrite, PDB code: 5ngx was solved by R.Strange, M.Hough, D.Kekelli, S.Horrell, T.Moreno Chicano, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.24 / 1.06
Space group	P 65 2 2
Cell size a, b, c (Å), α, β, γ (°)	53.910, 53.910, 183.210, 90.00, 90.00, 120.00
R / Rfree (%)	17.8 / 20

The binding sites of Iron atom in the The 1.06 A Resolution Structure of the L16G Mutant of Ferric Cytochrome C Prime From Alcaligenes Xylosoxidans, Complexed with Nitrite (pdb code 5ngx). 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 1.06 A Resolution Structure of the L16G Mutant of Ferric Cytochrome C Prime From Alcaligenes Xylosoxidans, Complexed with Nitrite, PDB code: 5ngx:

Iron binding site 1 out of 1 in the The 1.06 A Resolution Structure of the L16G Mutant of Ferric Cytochrome C Prime From Alcaligenes Xylosoxidans, Complexed with Nitrite


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of The 1.06 A Resolution Structure of the L16G Mutant of Ferric Cytochrome C Prime From Alcaligenes Xylosoxidans, Complexed with Nitrite within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:8.9 occ:1.00 FE A:HEC201 0.0 8.9 1.0 ND A:HEC201 2.0 9.2 1.0 NB A:HEC201 2.0 9.6 1.0 NE2 A:HIS120 2.0 9.4 1.0 NC A:HEC201 2.0 8.8 1.0 NA A:HEC201 2.0 10.1 1.0 O A:HOH382 2.1 10.2 0.8 N A:NO2202 2.1 17.6 0.2 O1 A:NO2202 2.9 19.5 0.2 CE1 A:HIS120 3.0 10.0 1.0 O2 A:NO2202 3.0 19.5 0.2 C1B A:HEC201 3.1 9.3 1.0 C4B A:HEC201 3.1 8.6 1.0 C4A A:HEC201 3.1 10.0 1.0 C1C A:HEC201 3.1 8.6 1.0 C1D A:HEC201 3.1 9.2 1.0 C4C A:HEC201 3.1 8.8 1.0 CD2 A:HIS120 3.1 9.2 1.0 C4D A:HEC201 3.1 9.7 1.0 C1A A:HEC201 3.1 10.6 1.0 CHC A:HEC201 3.4 9.0 1.0 CHA A:HEC201 3.5 11.4 1.0 CHB A:HEC201 3.5 9.4 1.0 CHD A:HEC201 3.5 8.1 1.0 ND1 A:HIS120 4.2 11.7 1.0 CG A:HIS120 4.2 10.9 1.0 C3B A:HEC201 4.3 9.0 1.0 C3C A:HEC201 4.3 8.7 1.0 C3A A:HEC201 4.3 10.7 1.0 C2C A:HEC201 4.3 8.8 1.0 C2A A:HEC201 4.3 10.4 1.0 C3D A:HEC201 4.3 9.5 1.0 C2D A:HEC201 4.3 9.4 1.0 C2B A:HEC201 4.3 9.3 1.0 O A:HOH314 4.4 16.2 1.0 NH1 A:ARG124 4.7 15.2 1.0

Z.N.Nilsson, B.L.Mandella, K.Sen, D.Kekilli, M.A.Hough, P.Moenne-Loccoz, R.W.Strange, C.R.Andrew. Distinguishing Nitro Vs Nitrito Coordination in Cytochrome C' Using Vibrational Spectroscopy and Density Functional Theory. Inorg.Chem. V. 56 13205 2017.
ISSN: ISSN 0020-1669
PubMed: 29053273
DOI: 10.1021/ACS.INORGCHEM.7B01945