Iron in PDB 7nse: Bovine Endothelial Nitric Oxide Synthase, H4B-Free, Adma Complex

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

The structure of Bovine Endothelial Nitric Oxide Synthase, H4B-Free, Adma Complex, PDB code: 7nse 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 (°)	58.330, 106.810, 156.670, 90.00, 90.00, 90.00
R / Rfree (%)	21.1 / 27.6

The structure of Bovine Endothelial Nitric Oxide Synthase, H4B-Free, Adma 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, Adma Complex (pdb code 7nse). 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, Adma Complex, PDB code: 7nse:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Bovine Endothelial Nitric Oxide Synthase, H4B-Free, Adma 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, Adma Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe500 b:16.1 occ:1.00 FE A:HEM500 0.0 16.1 1.0 NB A:HEM500 1.9 8.4 1.0 ND A:HEM500 1.9 2.8 1.0 NA A:HEM500 2.0 14.2 1.0 NC A:HEM500 2.0 15.5 1.0 SG A:CYS186 2.3 14.2 1.0 C1B A:HEM500 3.0 18.9 1.0 C4D A:HEM500 3.0 9.9 1.0 C4B A:HEM500 3.0 11.2 1.0 C1D A:HEM500 3.0 20.1 1.0 C4A A:HEM500 3.0 10.7 1.0 C1A A:HEM500 3.1 10.7 1.0 C1C A:HEM500 3.1 10.1 1.0 C4C A:HEM500 3.1 13.5 1.0 CB A:CYS186 3.3 9.0 1.0 CHB A:HEM500 3.4 14.3 1.0 CHC A:HEM500 3.4 8.6 1.0 CHA A:HEM500 3.4 7.6 1.0 CHD A:HEM500 3.5 13.1 1.0 C1 A:DA2710 3.8 11.3 1.0 CA A:CYS186 4.0 13.6 1.0 NH1 A:DA2710 4.2 16.5 1.0 C2B A:HEM500 4.2 14.7 1.0 C3D A:HEM500 4.2 12.5 1.0 C3B A:HEM500 4.2 14.6 1.0 C2D A:HEM500 4.2 11.9 1.0 C3A A:HEM500 4.3 8.8 1.0 C2A A:HEM500 4.3 12.6 1.0 C2C A:HEM500 4.4 11.0 1.0 NE1 A:TRP180 4.4 9.2 1.0 C3C A:HEM500 4.4 14.0 1.0 CZ A:DA2710 4.5 21.8 1.0 C2 A:DA2710 4.6 18.9 1.0 N A:GLY188 4.8 20.3 1.0 C A:CYS186 4.8 14.4 1.0 NH2 A:DA2710 4.9 14.5 1.0 N A:VAL187 5.0 9.8 1.0 CD1 A:TRP180 5.0 10.6 1.0

Iron binding site 2 out of 2 in the Bovine Endothelial Nitric Oxide Synthase, H4B-Free, Adma 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, Adma Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe500 b:21.2 occ:1.00 FE B:HEM500 0.0 21.2 1.0 NA B:HEM500 2.0 28.0 1.0 ND B:HEM500 2.0 28.6 1.0 NB B:HEM500 2.0 25.0 1.0 NC B:HEM500 2.0 31.4 1.0 SG B:CYS186 2.3 14.7 1.0 C1A B:HEM500 3.0 28.7 1.0 C4D B:HEM500 3.1 29.1 1.0 C4B B:HEM500 3.1 26.6 1.0 C1B B:HEM500 3.1 27.0 1.0 C4A B:HEM500 3.1 24.8 1.0 C1D B:HEM500 3.1 30.3 1.0 C1C B:HEM500 3.1 25.2 1.0 C4C B:HEM500 3.1 32.6 1.0 C1 B:DA2711 3.3 23.6 1.0 CHA B:HEM500 3.4 24.4 1.0 CHC B:HEM500 3.4 23.2 1.0 CHB B:HEM500 3.5 22.8 1.0 CHD B:HEM500 3.5 31.7 1.0 CB B:CYS186 3.6 25.5 1.0 NH1 B:DA2711 4.0 24.1 1.0 NE1 B:TRP180 4.1 18.5 1.0 CA B:CYS186 4.2 23.1 1.0 C2A B:HEM500 4.3 26.5 1.0 C3D B:HEM500 4.3 30.3 1.0 C3A B:HEM500 4.3 20.8 1.0 C2B B:HEM500 4.3 27.6 1.0 C3B B:HEM500 4.3 27.6 1.0 C2D B:HEM500 4.3 30.6 1.0 C2C B:HEM500 4.4 30.6 1.0 C3C B:HEM500 4.4 33.9 1.0 CZ B:DA2711 4.5 24.0 1.0 C2 B:DA2711 4.6 22.3 1.0 N B:GLY188 4.8 26.2 1.0 N B:VAL187 4.8 23.7 1.0 CD1 B:TRP180 4.8 20.1 1.0 C B:CYS186 4.9 23.2 1.0 NH2 B:DA2711 4.9 19.4 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.