Iron in PDB 2fc2: No-Heme Complex in A Bacterial Nitric Oxide Synthase. An Fe(III)-No May Cause Nitrosation.

All present enzymatic activity of No-Heme Complex in A Bacterial Nitric Oxide Synthase. An Fe(III)-No May Cause Nitrosation.:
1.14.13.39;

The structure of No-Heme Complex in A Bacterial Nitric Oxide Synthase. An Fe(III)-No May Cause Nitrosation., PDB code: 2fc2 was solved by K.Pant, B.R.Crane, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	27.02 / 2.20
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	82.738, 96.175, 129.547, 90.00, 90.00, 90.00
R / Rfree (%)	27.3 / 27.4

The binding sites of Iron atom in the No-Heme Complex in A Bacterial Nitric Oxide Synthase. An Fe(III)-No May Cause Nitrosation. (pdb code 2fc2). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the No-Heme Complex in A Bacterial Nitric Oxide Synthase. An Fe(III)-No May Cause Nitrosation., PDB code: 2fc2:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the No-Heme Complex in A Bacterial Nitric Oxide Synthase. An Fe(III)-No May Cause Nitrosation.


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of No-Heme Complex in A Bacterial Nitric Oxide Synthase. An Fe(III)-No May Cause Nitrosation. within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe901 b:28.6 occ:1.00 FE A:HEM901 0.0 28.6 1.0 N A:NO1901 1.7 50.1 1.0 NA A:HEM901 2.0 28.4 1.0 NC A:HEM901 2.0 25.0 1.0 NB A:HEM901 2.0 33.5 1.0 ND A:HEM901 2.0 25.1 1.0 SG A:CYS62 2.4 46.5 1.0 O A:NO1901 2.8 48.7 1.0 C4C A:HEM901 3.0 25.6 1.0 C1B A:HEM901 3.0 26.3 1.0 C4D A:HEM901 3.0 24.0 1.0 C1A A:HEM901 3.0 31.6 1.0 C4A A:HEM901 3.0 32.9 1.0 C4B A:HEM901 3.0 28.4 1.0 C1C A:HEM901 3.0 26.5 1.0 C1D A:HEM901 3.1 24.9 1.0 CHC A:HEM901 3.4 25.8 1.0 CHB A:HEM901 3.4 24.3 1.0 CHD A:HEM901 3.4 22.6 1.0 CHA A:HEM901 3.4 25.7 1.0 CB A:CYS62 3.5 46.5 1.0 C2C A:HEM901 4.2 26.5 1.0 C3C A:HEM901 4.2 27.3 1.0 C2B A:HEM901 4.3 28.9 1.0 C3A A:HEM901 4.3 30.2 1.0 C3B A:HEM901 4.3 29.5 1.0 C2A A:HEM901 4.3 34.5 1.0 C3D A:HEM901 4.3 25.7 1.0 NH1 A:HAR909 4.3 49.2 1.0 C2D A:HEM901 4.3 27.6 1.0 CA A:CYS62 4.4 46.6 1.0 NE1 A:TRP56 4.7 44.5 1.0 OH1 A:HAR909 4.7 50.8 1.0 CZ A:HAR909 4.9 43.6 1.0

Iron binding site 2 out of 2 in the No-Heme Complex in A Bacterial Nitric Oxide Synthase. An Fe(III)-No May Cause Nitrosation.


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of No-Heme Complex in A Bacterial Nitric Oxide Synthase. An Fe(III)-No May Cause Nitrosation. within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe902 b:39.2 occ:1.00 FE B:HEM902 0.0 39.2 1.0 NB B:HEM902 2.0 43.5 1.0 NC B:HEM902 2.0 42.9 1.0 NA B:HEM902 2.0 42.5 1.0 ND B:HEM902 2.1 42.4 1.0 N B:NO1902 2.3 42.4 1.0 SG B:CYS62 2.6 51.2 1.0 O B:NO1902 2.8 47.2 1.0 C1A B:HEM902 3.0 36.4 1.0 C4C B:HEM902 3.0 41.6 1.0 C4D B:HEM902 3.1 43.3 1.0 C1C B:HEM902 3.1 42.5 1.0 C1D B:HEM902 3.1 42.3 1.0 C4B B:HEM902 3.1 36.7 1.0 C1B B:HEM902 3.1 37.5 1.0 C4A B:HEM902 3.1 43.4 1.0 CHA B:HEM902 3.3 37.0 1.0 CHD B:HEM902 3.4 33.8 1.0 CHC B:HEM902 3.5 34.1 1.0 CB B:CYS62 3.5 51.0 1.0 CHB B:HEM902 3.5 32.3 1.0 NH1 A:HAR910 3.9 52.9 1.0 C2A B:HEM902 4.2 43.9 1.0 C3C B:HEM902 4.3 45.0 1.0 C2C B:HEM902 4.3 43.2 1.0 C3A B:HEM902 4.3 45.7 1.0 C2D B:HEM902 4.3 44.3 1.0 C3D B:HEM902 4.4 42.5 1.0 C2B B:HEM902 4.4 40.4 1.0 C3B B:HEM902 4.4 41.7 1.0 CA B:CYS62 4.5 50.9 1.0 OH1 A:HAR910 4.5 51.1 1.0 CZ A:HAR910 4.6 53.6 1.0 NE1 B:TRP56 4.7 53.5 1.0 NE A:HAR910 4.9 53.0 1.0

K.Pant, B.R.Crane. Nitrosyl-Heme Structures of Bacillus Subtilis Nitric Oxide Synthase Have Implications For Understanding Substrate Oxidation. Biochemistry V. 45 2537 2006.
ISSN: ISSN 0006-2960
PubMed: 16489746
DOI: 10.1021/BI0518848