Iron in PDB 5nse: Bovine Endothelial Nitric Oxide Synthase, H4B-Free, Hydroxy-Arg Complex

All present enzymatic activity of Bovine Endothelial Nitric Oxide Synthase, H4B-Free, Hydroxy-Arg Complex:
1.14.13.39;

The structure of Bovine Endothelial Nitric Oxide Synthase, H4B-Free, Hydroxy-Arg Complex, PDB code: 5nse was solved by C.S.Raman, H.Li, P.Martasek, B.S.S.Masters, T.L.Poulos, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 1.90
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	57.540, 106.170, 155.870, 90.00, 90.00, 90.00
R / Rfree (%)	19.6 / 24.3

The structure of Bovine Endothelial Nitric Oxide Synthase, H4B-Free, Hydroxy-Arg Complex also contains other interesting chemical elements:

Arsenic	(As)	2 atoms
Zinc	(Zn)	1 atom

The binding sites of Iron atom in the Bovine Endothelial Nitric Oxide Synthase, H4B-Free, Hydroxy-Arg Complex (pdb code 5nse). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Bovine Endothelial Nitric Oxide Synthase, H4B-Free, Hydroxy-Arg Complex, PDB code: 5nse:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Bovine Endothelial Nitric Oxide Synthase, H4B-Free, Hydroxy-Arg Complex


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Bovine Endothelial Nitric Oxide Synthase, H4B-Free, Hydroxy-Arg Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe500 b:18.1 occ:1.00 FE A:HEM500 0.0 18.1 1.0 ND A:HEM500 1.9 10.2 1.0 NB A:HEM500 1.9 14.4 1.0 NA A:HEM500 2.0 16.9 1.0 NC A:HEM500 2.0 16.5 1.0 SG A:CYS186 2.3 22.2 1.0 C4D A:HEM500 3.0 15.9 1.0 C4B A:HEM500 3.0 18.2 1.0 C1B A:HEM500 3.0 16.7 1.0 C1D A:HEM500 3.0 17.2 1.0 C1A A:HEM500 3.0 15.5 1.0 C1C A:HEM500 3.0 15.7 1.0 C4A A:HEM500 3.1 15.5 1.0 C4C A:HEM500 3.1 15.3 1.0 CB A:CYS186 3.3 15.2 1.0 CHC A:HEM500 3.4 17.3 1.0 CHA A:HEM500 3.4 12.3 1.0 CHB A:HEM500 3.4 17.2 1.0 CHD A:HEM500 3.5 16.8 1.0 NH1 A:HAR770 4.0 13.9 1.0 CA A:CYS186 4.1 16.5 1.0 C2B A:HEM500 4.2 15.7 1.0 OH1 A:HAR770 4.2 10.2 1.0 C2D A:HEM500 4.2 16.3 1.0 C3D A:HEM500 4.2 16.7 1.0 C3B A:HEM500 4.2 17.1 1.0 C2A A:HEM500 4.3 16.7 1.0 C3A A:HEM500 4.3 18.8 1.0 C2C A:HEM500 4.3 15.3 1.0 CZ A:HAR770 4.4 14.3 1.0 C3C A:HEM500 4.4 14.3 1.0 NE1 A:TRP180 4.4 13.7 1.0 NH2 A:HAR770 4.8 9.9 1.0 NE A:HAR770 4.8 15.2 1.0 C A:CYS186 4.8 17.0 1.0 N A:GLY188 4.9 17.8 1.0 N A:VAL187 4.9 16.1 1.0

Iron binding site 2 out of 2 in the Bovine Endothelial Nitric Oxide Synthase, H4B-Free, Hydroxy-Arg Complex


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Bovine Endothelial Nitric Oxide Synthase, H4B-Free, Hydroxy-Arg Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe500 b:21.8 occ:1.00 FE B:HEM500 0.0 21.8 1.0 NB B:HEM500 2.0 23.0 1.0 ND B:HEM500 2.0 22.9 1.0 NA B:HEM500 2.0 22.7 1.0 NC B:HEM500 2.0 21.3 1.0 SG B:CYS186 2.2 21.5 1.0 C4B B:HEM500 3.0 25.8 1.0 C4D B:HEM500 3.0 23.4 1.0 C1B B:HEM500 3.1 23.6 1.0 C1D B:HEM500 3.1 22.7 1.0 C1A B:HEM500 3.1 22.7 1.0 C1C B:HEM500 3.1 23.2 1.0 C4C B:HEM500 3.1 23.1 1.0 C4A B:HEM500 3.1 21.5 1.0 CB B:CYS186 3.4 18.9 1.0 CHC B:HEM500 3.4 23.2 1.0 CHA B:HEM500 3.4 21.8 1.0 CHD B:HEM500 3.4 22.0 1.0 CHB B:HEM500 3.4 21.9 1.0 NH1 B:HAR771 4.0 23.7 1.0 CA B:CYS186 4.0 19.7 1.0 OH1 B:HAR771 4.1 21.4 1.0 C3B B:HEM500 4.3 24.2 1.0 C2B B:HEM500 4.3 24.1 1.0 C3D B:HEM500 4.3 24.2 1.0 C2D B:HEM500 4.3 23.5 1.0 C2A B:HEM500 4.3 24.1 1.0 C3A B:HEM500 4.3 22.7 1.0 C2C B:HEM500 4.3 22.9 1.0 C3C B:HEM500 4.3 23.8 1.0 NE1 B:TRP180 4.4 23.4 1.0 CZ B:HAR771 4.4 26.3 1.0 C B:CYS186 4.8 17.1 1.0 NH2 B:HAR771 4.8 24.6 1.0 N B:GLY188 4.8 20.9 1.0 N B:VAL187 4.8 18.8 1.0 NE B:HAR771 4.9 26.0 1.0

C.S.Raman, H.Li, P.Martasek, B.S.S.Masters, T.L.Poulos. Crystal Structures of the Heme Domain of Bovine Endothelial Nitric Oxide Synthase Complexed with Arginine Analogues To Be Published.