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

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

The structure of Reduced Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with L-Arg(H4B-Free), PDB code: 1fol was solved by C.S.Raman, H.Li, P.Martasek, B.S.Masters, T.L.Poulos, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.70 / 2.20
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	58.233, 106.282, 156.291, 90.00, 90.00, 90.00
R / Rfree (%)	22.2 / 26.5

The structure of Reduced Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with L-Arg(H4B-Free) also contains other interesting chemical elements:

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

The binding sites of Arsenic atom in the Reduced Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with L-Arg(H4B-Free) (pdb code 1fol). This binding sites where shown within 5.0 Angstroms radius around Arsenic atom.
In total 2 binding sites of Arsenic where determined in the Reduced Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with L-Arg(H4B-Free), PDB code: 1fol:
Jump to Arsenic binding site number: 1; 2;

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


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 1 of Reduced Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with L-Arg(H4B-Free) within 5.0Å range: probe atom residue distance (Å) B Occ A:As1950 b:62.5 occ:1.00 AS A:CAC1950 0.0 62.5 1.0 C2 A:CAC1950 1.8 58.6 1.0 C1 A:CAC1950 1.8 59.2 1.0 SG A:CYS384 2.3 55.2 1.0 CB A:CYS384 3.4 50.3 1.0 CA A:CYS384 4.0 48.8 1.0 CE3 A:TRP324 4.3 44.3 1.0 CD1 A:LEU328 4.4 40.3 1.0 CD2 A:TRP324 4.5 44.1 1.0 CB A:TRP324 4.6 43.8 1.0 CG A:TRP324 4.7 44.0 1.0 CZ3 A:TRP324 4.9 43.7 1.0 N A:CYS384 5.0 47.4 1.0

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


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 2 of Reduced Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with L-Arg(H4B-Free) within 5.0Å range: probe atom residue distance (Å) B Occ B:As2950 b:70.4 occ:1.00 AS B:CAC2950 0.0 70.4 1.0 C1 B:CAC2950 1.8 68.5 1.0 C2 B:CAC2950 1.8 68.0 1.0 SG B:CYS384 2.4 65.1 1.0 CB B:CYS384 3.1 60.9 1.0 CA B:CYS384 3.8 60.0 1.0 CE3 B:TRP324 4.3 59.8 1.0 CD2 B:TRP324 4.6 59.6 1.0 N B:CYS384 4.7 58.5 1.0 CB B:TRP324 4.7 59.2 1.0 CG B:TRP324 4.8 59.6 1.0 C B:CYS384 4.9 60.0 1.0 CZ3 B:TRP324 4.9 59.5 1.0 O B:CYS384 5.0 60.0 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/BI002658V