Iron in PDB 3fc5: G586S Mutant Nnosoxy

All present enzymatic activity of G586S Mutant Nnosoxy:
1.14.13.39;

The structure of G586S Mutant Nnosoxy, PDB code: 3fc5 was solved by C.Bruckmann, C.G.Mowat, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.27 / 2.59
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	51.623, 110.276, 164.671, 90.00, 90.00, 90.00
R / Rfree (%)	19.9 / 25.4

The structure of G586S Mutant Nnosoxy also contains other interesting chemical elements:

Zinc

(Zn)

1 atom

The binding sites of Iron atom in the G586S Mutant Nnosoxy (pdb code 3fc5). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the G586S Mutant Nnosoxy, PDB code: 3fc5:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the G586S Mutant Nnosoxy


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of G586S Mutant Nnosoxy within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe750 b:37.0 occ:1.00 FE A:HEM750 0.0 37.0 1.0 NC A:HEM750 2.1 48.9 1.0 NB A:HEM750 2.1 38.0 1.0 ND A:HEM750 2.1 31.2 1.0 NA A:HEM750 2.1 40.1 1.0 SG A:CYS415 2.4 40.8 1.0 C4C A:HEM750 3.0 37.2 1.0 C1B A:HEM750 3.1 36.1 1.0 C1D A:HEM750 3.1 37.7 1.0 C4A A:HEM750 3.1 34.4 1.0 C4B A:HEM750 3.1 44.6 1.0 C1C A:HEM750 3.1 39.3 1.0 C4D A:HEM750 3.1 33.5 1.0 C1A A:HEM750 3.2 34.2 1.0 CHD A:HEM750 3.3 40.6 1.0 CHB A:HEM750 3.4 31.2 1.0 CB A:CYS415 3.4 41.3 1.0 CHC A:HEM750 3.5 39.5 1.0 CHA A:HEM750 3.5 34.3 1.0 CA A:CYS415 4.1 37.6 1.0 C3C A:HEM750 4.3 38.2 1.0 C2B A:HEM750 4.3 46.2 1.0 C2C A:HEM750 4.3 41.9 1.0 C3B A:HEM750 4.3 43.9 1.0 C2D A:HEM750 4.3 28.9 1.0 C3A A:HEM750 4.3 41.0 1.0 C3D A:HEM750 4.4 37.8 1.0 C2A A:HEM750 4.4 37.0 1.0 NH1 A:ARG770 4.4 30.6 1.0 NE1 A:TRP409 4.4 36.2 1.0 N A:GLY417 4.6 47.6 1.0 CZ A:ARG770 4.7 37.3 1.0 C A:CYS415 4.8 36.7 1.0 CA A:GLY417 4.9 41.3 1.0 N A:VAL416 4.9 39.4 1.0 NH2 A:ARG770 5.0 35.4 1.0

Iron binding site 2 out of 2 in the G586S Mutant Nnosoxy


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of G586S Mutant Nnosoxy within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe750 b:37.7 occ:1.00 FE B:HEM750 0.0 37.7 1.0 NA B:HEM750 2.0 39.9 1.0 NB B:HEM750 2.0 43.9 1.0 NC B:HEM750 2.1 46.7 1.0 ND B:HEM750 2.1 33.5 1.0 SG B:CYS415 2.5 37.5 1.0 C1B B:HEM750 3.0 47.9 1.0 C4A B:HEM750 3.0 34.8 1.0 C4C B:HEM750 3.1 38.8 1.0 C1A B:HEM750 3.1 43.0 1.0 C4B B:HEM750 3.1 41.1 1.0 C1D B:HEM750 3.1 42.5 1.0 C1C B:HEM750 3.1 46.8 1.0 C4D B:HEM750 3.1 33.7 1.0 CHB B:HEM750 3.4 36.5 1.0 CHD B:HEM750 3.4 38.2 1.0 CHA B:HEM750 3.5 36.5 1.0 CHC B:HEM750 3.5 49.2 1.0 CB B:CYS415 3.5 39.6 1.0 CA B:CYS415 4.2 37.3 1.0 NH1 B:ARG771 4.2 38.4 1.0 C2B B:HEM750 4.2 45.3 1.0 C3A B:HEM750 4.2 41.3 1.0 C2A B:HEM750 4.3 41.1 1.0 C3C B:HEM750 4.3 45.5 1.0 C3B B:HEM750 4.3 39.9 1.0 C2C B:HEM750 4.3 42.0 1.0 C2D B:HEM750 4.3 39.4 1.0 C3D B:HEM750 4.4 43.6 1.0 NE1 B:TRP409 4.5 34.9 1.0 CZ B:ARG771 4.5 34.9 1.0 NH2 B:ARG771 4.7 38.1 1.0 N B:GLY417 4.7 47.3 1.0 C B:CYS415 4.9 37.1 1.0 CA B:GLY417 5.0 42.5 1.0 N B:VAL416 5.0 38.2 1.0

D.Papale, C.Bruckmann, C.S.Miles, C.G.Mowat, S.Daff. Oxygen Activation in Neuronal No Synthase: Stabilisation of A Novel Intermediate in the G586S Mutant To Be Published.