Arsenic 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:

Iron	(Fe)	2 atoms
Zinc	(Zn)	1 atom

The binding sites of Arsenic 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 Arsenic atom.
In total 2 binding sites of Arsenic where determined in the Bovine Endothelial Nitric Oxide Synthase, H4B-Free, Hydroxy-Arg Complex, PDB code: 5nse:
Jump to Arsenic binding site number: 1; 2;

Arsenic 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 Arsenic with other atoms in the As 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:As950 b:45.9 occ:1.00 AS A:CAD950 0.0 45.9 1.0 C1 A:CAD950 1.8 41.7 1.0 C2 A:CAD950 1.8 38.9 1.0 SG A:CYS384 2.3 31.2 1.0 CB A:CYS384 3.1 23.9 1.0 CA A:CYS384 3.9 21.9 1.0 CE3 A:TRP324 4.3 18.7 1.0 CD2 A:TRP324 4.6 20.7 1.0 CD1 A:LEU328 4.6 25.7 1.0 CG A:TRP324 4.8 22.9 1.0 N A:CYS384 4.8 23.1 1.0 CB A:TRP324 4.8 25.6 1.0 CZ3 A:TRP324 4.9 20.9 1.0 C A:CYS384 4.9 21.6 1.0

Arsenic 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 Arsenic with other atoms in the As 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:As951 b:46.3 occ:1.00 AS B:CAD951 0.0 46.3 1.0 C1 B:CAD951 1.8 46.3 1.0 C2 B:CAD951 1.8 45.0 1.0 SG B:CYS384 2.3 36.9 1.0 CB B:CYS384 2.9 32.8 1.0 CA B:CYS384 3.7 33.8 1.0 CE3 B:TRP324 4.0 35.4 1.0 CD2 B:TRP324 4.3 37.3 1.0 CB B:TRP324 4.3 35.2 1.0 CG B:TRP324 4.4 37.1 1.0 N B:CYS384 4.7 31.9 1.0 O B:HOH1100 4.7 38.5 1.0 C B:CYS384 4.7 33.7 1.0 CZ3 B:TRP324 4.8 34.1 1.0 O B:CYS384 4.9 35.8 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.