Iron in PDB 6nse: Bovine Endothelial Nitric Oxide Synthase, H4B-Free, Canavanine Complex

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

The structure of Bovine Endothelial Nitric Oxide Synthase, H4B-Free, Canavanine Complex, PDB code: 6nse 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 / 2.35
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	58.400, 106.740, 156.360, 90.00, 90.00, 90.00
R / Rfree (%)	21.1 / 27.2

The structure of Bovine Endothelial Nitric Oxide Synthase, H4B-Free, Canavanine 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, Canavanine Complex (pdb code 6nse). 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, Canavanine Complex, PDB code: 6nse:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Bovine Endothelial Nitric Oxide Synthase, H4B-Free, Canavanine 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, Canavanine Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe500 b:19.8 occ:1.00 FE A:HEM500 0.0 19.8 1.0 ND A:HEM500 1.9 5.6 1.0 NB A:HEM500 1.9 10.3 1.0 NA A:HEM500 2.0 16.6 1.0 NC A:HEM500 2.0 16.8 1.0 SG A:CYS186 2.2 20.5 1.0 C4D A:HEM500 2.9 17.9 1.0 C1D A:HEM500 3.0 18.7 1.0 C4B A:HEM500 3.0 14.9 1.0 C1A A:HEM500 3.0 14.6 1.0 C1B A:HEM500 3.0 16.7 1.0 C1C A:HEM500 3.1 13.6 1.0 C4A A:HEM500 3.1 12.0 1.0 C4C A:HEM500 3.1 16.3 1.0 CB A:CYS186 3.2 15.6 1.0 CHA A:HEM500 3.3 12.1 1.0 CHC A:HEM500 3.4 13.8 1.0 CHD A:HEM500 3.4 18.8 1.0 CHB A:HEM500 3.5 16.8 1.0 NH1 A:GGB720 3.8 26.3 1.0 CA A:CYS186 4.0 13.5 1.0 C3D A:HEM500 4.2 14.4 1.0 C2D A:HEM500 4.2 12.4 1.0 C2A A:HEM500 4.2 15.1 1.0 C3B A:HEM500 4.3 16.6 1.0 C2B A:HEM500 4.3 14.5 1.0 C3A A:HEM500 4.3 11.2 1.0 C2C A:HEM500 4.3 15.2 1.0 C3C A:HEM500 4.3 16.3 1.0 CZ A:GGB720 4.4 25.6 1.0 NE1 A:TRP180 4.4 8.8 1.0 C A:CYS186 4.8 14.9 1.0 NH2 A:GGB720 4.9 18.4 1.0 OD A:GGB720 4.9 32.5 1.0 N A:GLY188 4.9 22.5 1.0 N A:VAL187 4.9 14.2 1.0

Iron binding site 2 out of 2 in the Bovine Endothelial Nitric Oxide Synthase, H4B-Free, Canavanine 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, Canavanine Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe500 b:24.8 occ:1.00 FE B:HEM500 0.0 24.8 1.0 ND B:HEM500 2.0 26.5 1.0 NB B:HEM500 2.0 26.8 1.0 NA B:HEM500 2.0 31.3 1.0 NC B:HEM500 2.0 30.9 1.0 SG B:CYS186 2.2 19.5 1.0 C4D B:HEM500 3.0 26.6 1.0 C1B B:HEM500 3.0 29.1 1.0 C1D B:HEM500 3.0 28.7 1.0 C4B B:HEM500 3.0 27.8 1.0 C1A B:HEM500 3.0 27.6 1.0 C4A B:HEM500 3.1 27.7 1.0 C4C B:HEM500 3.1 32.9 1.0 C1C B:HEM500 3.1 26.9 1.0 CHA B:HEM500 3.4 24.4 1.0 CHC B:HEM500 3.4 24.4 1.0 CHB B:HEM500 3.4 26.4 1.0 CHD B:HEM500 3.4 32.6 1.0 CB B:CYS186 3.5 27.2 1.0 NH1 B:GGB721 3.7 39.6 1.0 CA B:CYS186 4.1 22.4 1.0 C3D B:HEM500 4.2 28.4 1.0 C2D B:HEM500 4.3 29.2 1.0 C2B B:HEM500 4.3 29.3 1.0 NE1 B:TRP180 4.3 22.1 1.0 C2A B:HEM500 4.3 29.8 1.0 C3B B:HEM500 4.3 26.5 1.0 C3A B:HEM500 4.3 28.7 1.0 C2C B:HEM500 4.3 30.2 1.0 C3C B:HEM500 4.3 31.8 1.0 CZ B:GGB721 4.4 38.9 1.0 NH2 B:GGB721 4.8 27.7 1.0 C B:CYS186 4.9 21.5 1.0 N B:VAL187 5.0 23.5 1.0 CD1 B:TRP180 5.0 23.1 1.0 N B:GLY188 5.0 26.9 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.