Iron in PDB 5nc0: The 0.91 A Resolution Structure of the L16G Mutant of Cytochrome C Prime From Alcaligenes Xylosoxidans, Complexed with Nitric Oxide

The structure of The 0.91 A Resolution Structure of the L16G Mutant of Cytochrome C Prime From Alcaligenes Xylosoxidans, Complexed with Nitric Oxide, PDB code: 5nc0 was solved by R.Strange, M.Hough, S.Antonyuk, N.Rustage, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.07 / 0.91
Space group	P 65 2 2
Cell size a, b, c (Å), α, β, γ (°)	52.430, 52.430, 183.250, 90.00, 90.00, 120.00
R / Rfree (%)	12.5 / 13.2

The binding sites of Iron atom in the The 0.91 A Resolution Structure of the L16G Mutant of Cytochrome C Prime From Alcaligenes Xylosoxidans, Complexed with Nitric Oxide (pdb code 5nc0). 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 0.91 A Resolution Structure of the L16G Mutant of Cytochrome C Prime From Alcaligenes Xylosoxidans, Complexed with Nitric Oxide, PDB code: 5nc0:

Iron binding site 1 out of 1 in the The 0.91 A Resolution Structure of the L16G Mutant of Cytochrome C Prime From Alcaligenes Xylosoxidans, Complexed with Nitric Oxide


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of The 0.91 A Resolution Structure of the L16G Mutant of Cytochrome C Prime From Alcaligenes Xylosoxidans, Complexed with Nitric Oxide within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:4.8 occ:1.00 FE A:HEC201 0.0 4.8 1.0 N A:NO202 1.6 4.7 0.5 N A:NO202 1.8 6.3 0.5 ND A:HEC201 2.0 5.1 1.0 NC A:HEC201 2.0 4.5 1.0 NA A:HEC201 2.0 5.4 1.0 NB A:HEC201 2.0 4.9 1.0 NE2 A:HIS120 2.1 5.1 1.0 O A:NO202 2.8 9.6 0.5 O A:NO202 2.8 10.2 0.5 C1D A:HEC201 3.0 4.8 1.0 C1C A:HEC201 3.0 4.2 1.0 CE1 A:HIS120 3.0 6.5 1.0 C4D A:HEC201 3.0 5.2 1.0 C4B A:HEC201 3.0 4.7 1.0 C1B A:HEC201 3.0 4.9 1.0 C4C A:HEC201 3.0 4.3 1.0 C1A A:HEC201 3.0 5.4 1.0 C4A A:HEC201 3.1 5.2 1.0 CD2 A:HIS120 3.1 5.3 1.0 CHD A:HEC201 3.4 4.8 1.0 CHB A:HEC201 3.4 5.6 1.0 CHC A:HEC201 3.4 4.3 1.0 CHA A:HEC201 3.4 5.8 1.0 N A:NO2204 3.6 21.8 0.5 ND1 A:HIS120 4.2 6.7 1.0 CG A:HIS120 4.2 5.4 1.0 O1 A:NO2204 4.2 9.3 0.5 C2D A:HEC201 4.3 5.3 1.0 C2C A:HEC201 4.3 4.3 1.0 C3C A:HEC201 4.3 4.2 1.0 C3D A:HEC201 4.3 5.5 1.0 C3B A:HEC201 4.3 4.7 1.0 C2A A:HEC201 4.3 5.3 1.0 C3A A:HEC201 4.3 5.3 1.0 C2B A:HEC201 4.3 5.1 1.0 CE A:MET19 4.3 8.1 0.5 O2 A:NO2204 4.5 19.6 0.5 CE A:MET19 4.6 8.1 0.5

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 1520-510X
PubMed: 29053273
DOI: 10.1021/ACS.INORGCHEM.7B01945