Iron in PDB 5jua: Nitric Oxide Complex of the L16I Mutant of Cytochrome C Prime From Alcaligenes Xylosoxidans

The structure of Nitric Oxide Complex of the L16I Mutant of Cytochrome C Prime From Alcaligenes Xylosoxidans, PDB code: 5jua was solved by D.Kekilli, R.W.Strange, M.A.Hough, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	10.00 / 1.13
Space group	P 65 2 2
Cell size a, b, c (Å), α, β, γ (°)	53.897, 53.897, 180.569, 90.00, 90.00, 120.00
R / Rfree (%)	15.2 / 18.7

The binding sites of Iron atom in the Nitric Oxide Complex of the L16I Mutant of Cytochrome C Prime From Alcaligenes Xylosoxidans (pdb code 5jua). 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 Nitric Oxide Complex of the L16I Mutant of Cytochrome C Prime From Alcaligenes Xylosoxidans, PDB code: 5jua:

Iron binding site 1 out of 1 in the Nitric Oxide Complex of the L16I Mutant of Cytochrome C Prime From Alcaligenes Xylosoxidans


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Nitric Oxide Complex of the L16I Mutant of Cytochrome C Prime From Alcaligenes Xylosoxidans within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:10.8 occ:1.00 FE A:HEC201 0.0 10.8 1.0 N A:NO202 1.7 10.9 0.5 N A:NO202 1.9 9.2 0.5 NC A:HEC201 2.0 10.2 1.0 NB A:HEC201 2.0 10.4 1.0 ND A:HEC201 2.0 11.0 1.0 NA A:HEC201 2.1 11.9 1.0 NE2 A:HIS120 2.1 11.9 1.0 O A:NO202 2.6 12.6 0.5 O A:NO202 2.8 10.9 0.5 C4B A:HEC201 3.0 10.4 1.0 C1B A:HEC201 3.0 10.9 1.0 C1C A:HEC201 3.0 10.2 1.0 C4C A:HEC201 3.0 10.5 1.0 C4A A:HEC201 3.0 11.1 1.0 C4D A:HEC201 3.0 11.9 1.0 C1D A:HEC201 3.1 10.4 1.0 C1A A:HEC201 3.1 12.0 1.0 CE1 A:HIS120 3.1 13.2 1.0 CD2 A:HIS120 3.2 12.0 1.0 CHC A:HEC201 3.4 10.6 1.0 CHB A:HEC201 3.4 12.1 1.0 CHD A:HEC201 3.4 11.0 1.0 CHA A:HEC201 3.4 12.2 1.0 C2C A:HEC201 4.2 10.3 1.0 C3C A:HEC201 4.2 10.7 1.0 C3A A:HEC201 4.2 12.6 1.0 C3B A:HEC201 4.2 10.6 1.0 C2D A:HEC201 4.3 11.4 1.0 ND1 A:HIS120 4.3 13.7 1.0 C2A A:HEC201 4.3 12.9 1.0 C2B A:HEC201 4.3 11.5 1.0 C3D A:HEC201 4.3 11.8 1.0 CG A:HIS120 4.3 12.8 1.0 CG2 A:ILE16 4.4 14.1 1.0 CD1 A:ILE16 4.6 13.7 1.0 CE A:MET19 4.6 15.8 0.5 NH1 A:ARG124 4.7 17.9 1.0 CG1 A:ILE16 4.9 12.1 1.0 CE A:MET19 4.9 13.9 0.5

D.Kekilli, C.A.Petersen, D.A.Pixton, D.D.Ghafoor, G.H.Abdullah, F.S.N.Dworkowski, M.T.Wilson, D.J.Heyes, S.J.O.Hardman, L.M.Murphy, R.W.Strange, N.S.Scrutton, C.R.Andrew, M.A.Hough. Engineering Proximal Vs. Distal Heme-No Coordination Via Dinitrosyl Dynamics: Implications For No Sensor Design. Chem Sci V. 8 1986 2017.
ISSN: ISSN 2041-6520
PubMed: 28451315
DOI: 10.1039/C6SC04190F