Iron in PDB 4d4n: Nitrosyl Complex of the D121A Variant of Cytochrome C Prime From Alcaligenes Xylosoxidans

The structure of Nitrosyl Complex of the D121A Variant of Cytochrome C Prime From Alcaligenes Xylosoxidans, PDB code: 4d4n was solved by D.D.Gahfoor, D.Kekilli, G.H.Abdullah, F.S.N.Dworkowski, H.G.Hassan, M.T.Wilson, M.A.Hough, R.W.Strange, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.55 / 1.45
Space group	P 65 2 2
Cell size a, b, c (Å), α, β, γ (°)	53.756, 53.756, 180.023, 90.00, 90.00, 120.00
R / Rfree (%)	15.919 / 20.074

The binding sites of Iron atom in the Nitrosyl Complex of the D121A Variant of Cytochrome C Prime From Alcaligenes Xylosoxidans (pdb code 4d4n). 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 Nitrosyl Complex of the D121A Variant of Cytochrome C Prime From Alcaligenes Xylosoxidans, PDB code: 4d4n:

Iron binding site 1 out of 1 in the Nitrosyl Complex of the D121A Variant 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 Nitrosyl Complex of the D121A Variant of Cytochrome C Prime From Alcaligenes Xylosoxidans within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe128 b:17.5 occ:1.00 FE A:HEC128 0.0 17.5 1.0 N A:NO129 1.8 29.2 1.0 NB A:HEC128 2.0 18.6 1.0 ND A:HEC128 2.0 17.5 1.0 NA A:HEC128 2.0 17.2 1.0 NC A:HEC128 2.0 17.4 1.0 O A:NO129 2.6 29.4 1.0 C4B A:HEC128 3.0 16.4 1.0 C1C A:HEC128 3.0 17.1 1.0 C4A A:HEC128 3.0 18.9 1.0 C4D A:HEC128 3.0 19.1 1.0 C1A A:HEC128 3.0 16.4 1.0 C1B A:HEC128 3.0 16.9 1.0 C1D A:HEC128 3.0 18.1 1.0 C4C A:HEC128 3.1 17.0 1.0 CHB A:HEC128 3.4 17.8 1.0 CHC A:HEC128 3.4 16.0 1.0 CHA A:HEC128 3.4 19.1 1.0 CHD A:HEC128 3.4 18.8 1.0 CD2 A:LEU16 3.8 17.8 1.0 C3A A:HEC128 4.2 19.5 1.0 C2B A:HEC128 4.2 18.2 1.0 C2D A:HEC128 4.3 18.8 1.0 C3B A:HEC128 4.3 17.6 1.0 C2A A:HEC128 4.3 18.1 1.0 C2C A:HEC128 4.3 18.8 1.0 C3D A:HEC128 4.3 20.0 1.0 C3C A:HEC128 4.3 19.3 1.0 NH1 A:ARG124 4.4 43.0 1.0 CD1 A:LEU16 4.5 17.0 1.0 CG A:LEU16 4.6 16.2 1.0 CB A:LEU16 4.8 15.7 1.0 CD A:ARG124 4.9 33.7 1.0

D.D.Ghafoor, D.Kekilli, G.H.Abdullah, F.S.N.Dworkowski, H.G.Hassan, M.T.Wilson, R.W.Strange, M.A.Hough. Hydrogen Bonding of the Dissociated Histidine Ligand Is Not Required For Formation of A Proximal No Adduct in Cytochrome C'. J.Biol.Inorg.Chem. V. 20 949 2015.
ISSN: ISSN 0949-8257
PubMed: 26100643
DOI: 10.1007/S00775-015-1278-Y