Arsenic in PDB 1ed6: Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with L- Nio (H4B Free)

All present enzymatic activity of Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with L- Nio (H4B Free):
1.14.13.39;

The structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with L- Nio (H4B Free), PDB code: 1ed6 was solved by C.S.Raman, H.Li, P.Martasek, G.J.Southan, 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)	32.66 / 2.05
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	59.120, 106.160, 156.700, 90.00, 90.00, 90.00
R / Rfree (%)	24.1 / 27.5

The structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with L- Nio (H4B Free) 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 Heme Domain Complexed with L- Nio (H4B Free) (pdb code 1ed6). 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 Heme Domain Complexed with L- Nio (H4B Free), PDB code: 1ed6:
Jump to Arsenic binding site number: 1; 2;

Arsenic binding site 1 out of 2 in the Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with L- Nio (H4B Free)


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 Heme Domain Complexed with L- Nio (H4B Free) within 5.0Å range: probe atom residue distance (Å) B Occ A:As1950 b:45.1 occ:0.50 AS A:CAD1950 0.0 45.1 0.5 C1 A:CAD1950 1.8 43.9 0.5 C2 A:CAD1950 1.8 44.4 0.5 SG A:CYS384 2.3 45.5 1.0 CB A:CYS384 3.3 42.9 1.0 CA A:CYS384 4.0 42.5 1.0 CD1 A:LEU328 4.5 41.7 1.0 CE3 A:TRP324 4.6 44.4 1.0 N A:CYS384 4.8 41.6 1.0 CD2 A:TRP324 4.9 44.8 1.0

Arsenic binding site 2 out of 2 in the Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with L- Nio (H4B Free)


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 Heme Domain Complexed with L- Nio (H4B Free) within 5.0Å range: probe atom residue distance (Å) B Occ B:As2950 b:63.9 occ:0.50 AS B:CAD2950 0.0 63.9 0.5 C1 B:CAD2950 1.8 61.9 0.5 C2 B:CAD2950 1.8 61.7 0.5 SG B:CYS384 2.4 60.6 1.0 CB B:CYS384 2.9 57.3 1.0 O B:HOH2960 3.1 53.5 1.0 CA B:CYS384 3.5 57.0 1.0 O B:CYS384 4.4 57.2 1.0 C B:CYS384 4.5 57.0 1.0 N B:CYS384 4.6 56.7 1.0 CE3 B:TRP324 4.7 60.7 1.0 CD2 B:TRP324 4.8 60.3 1.0 CB B:TRP324 4.8 59.4 1.0 CG B:TRP324 4.8 59.9 1.0

H.Li, C.S.Raman, P.Martasek, B.S.Masters, T.L.Poulos. Crystallographic Studies on Endothelial Nitric Oxide Synthase Complexed with Nitric Oxide and Mechanism-Based Inhibitors. Biochemistry V. 40 5399 2001.
ISSN: ISSN 0006-2960
PubMed: 11331003
DOI: 10.1021/BI010957U