Arsenic in PDB 4nse: Bovine Endothelial Nitric Oxide Synthase, H4B-Free, L-Arg Complex

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

The structure of Bovine Endothelial Nitric Oxide Synthase, H4B-Free, L-Arg Complex, PDB code: 4nse was solved by C.S.Raman, H.Li, P.Martasek, V.Kral, 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 / 1.95
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	57.660, 106.100, 155.750, 90.00, 90.00, 90.00
R / Rfree (%)	21.2 / 26

The structure of Bovine Endothelial Nitric Oxide Synthase, H4B-Free, L-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, L-Arg Complex (pdb code 4nse). 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, L-Arg Complex, PDB code: 4nse:
Jump to Arsenic binding site number: 1; 2;

Arsenic binding site 1 out of 2 in the Bovine Endothelial Nitric Oxide Synthase, H4B-Free, L-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, L-Arg Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:As950 b:63.2 occ:1.00 AS A:CAC950 0.0 63.2 1.0 C2 A:CAC950 1.8 53.7 1.0 C1 A:CAC950 1.8 46.1 1.0 SG A:CYS384 2.3 42.0 1.0 CB A:CYS384 3.3 34.0 1.0 CA A:CYS384 3.9 28.8 1.0 CE3 A:TRP324 4.5 28.6 1.0 O A:HOH984 4.6 28.4 1.0 CD1 A:LEU328 4.7 28.4 1.0 N A:CYS384 4.7 30.8 1.0 CD2 A:TRP324 4.8 29.9 1.0 C A:CYS384 5.0 28.4 1.0

Arsenic binding site 2 out of 2 in the Bovine Endothelial Nitric Oxide Synthase, H4B-Free, L-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, L-Arg Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:As950 b:72.3 occ:1.00 AS B:CAC950 0.0 72.3 1.0 C1 B:CAC950 1.8 71.2 1.0 C2 B:CAC950 1.8 67.8 1.0 SG B:CYS384 2.3 59.7 1.0 CB B:CYS384 3.1 50.1 1.0 CA B:CYS384 3.6 48.8 1.0 CE3 B:TRP324 4.3 50.4 1.0 CD2 B:TRP324 4.5 51.7 1.0 N B:CYS384 4.5 46.8 1.0 C B:CYS384 4.7 48.7 1.0 CB B:TRP324 4.7 46.9 1.0 CG B:TRP324 4.7 50.7 1.0 O B:CYS384 4.7 50.8 1.0 CZ3 B:TRP324 4.9 47.4 1.0

C.S.Raman, H.Li, P.Martasek, V.Kral, B.S.Masters, T.L.Poulos. Crystal Structure of Constitutive Endothelial Nitric Oxide Synthase: A Paradigm For Pterin Function Involving A Novel Metal Center. Cell(Cambridge,Mass.) V. 95 939 1998.
ISSN: ISSN 0092-8674
PubMed: 9875848
DOI: 10.1016/S0092-8674(00)81718-3