Arsenic in PDB 1rs8: Bovine Endothelial Nos Heme Domain with D-Lysine-D-Nitroarginine Amide Bound

All present enzymatic activity of Bovine Endothelial Nos Heme Domain with D-Lysine-D-Nitroarginine Amide Bound:
1.14.13.39;

The structure of Bovine Endothelial Nos Heme Domain with D-Lysine-D-Nitroarginine Amide Bound, PDB code: 1rs8 was solved by M.Flinspach, H.Li, J.Jamal, W.Yang, H.Huang, R.B.Silverman, T.L.Poulos, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.83 / 2.30
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	57.009, 106.215, 156.536, 90.00, 90.00, 90.00
R / Rfree (%)	22.2 / 27.6

The structure of Bovine Endothelial Nos Heme Domain with D-Lysine-D-Nitroarginine Amide Bound also contains other interesting chemical elements:

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

The binding sites of Arsenic atom in the Bovine Endothelial Nos Heme Domain with D-Lysine-D-Nitroarginine Amide Bound (pdb code 1rs8). 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 Nos Heme Domain with D-Lysine-D-Nitroarginine Amide Bound, PDB code: 1rs8:
Jump to Arsenic binding site number: 1; 2;

Arsenic binding site 1 out of 2 in the Bovine Endothelial Nos Heme Domain with D-Lysine-D-Nitroarginine Amide Bound


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 1 of Bovine Endothelial Nos Heme Domain with D-Lysine-D-Nitroarginine Amide Bound within 5.0Å range: probe atom residue distance (Å) B Occ A:As850 b:77.4 occ:1.00 AS A:CAC850 0.0 77.4 1.0 C1 A:CAC850 1.8 76.3 1.0 C2 A:CAC850 1.8 78.3 1.0 SG A:CYS384 2.8 59.2 1.0 CB A:CYS384 3.2 53.3 1.0 CA A:CYS384 3.9 50.8 1.0 CE3 A:TRP324 4.0 48.6 1.0 CD2 A:TRP324 4.2 51.8 1.0 CG A:TRP324 4.5 51.0 1.0 CB A:TRP324 4.5 50.0 1.0 CZ3 A:TRP324 4.6 48.7 1.0 CD1 A:LEU328 4.8 40.1 1.0 C A:CYS384 4.9 49.3 1.0 O A:CYS384 4.9 47.9 1.0 N A:CYS384 4.9 50.3 1.0

Arsenic binding site 2 out of 2 in the Bovine Endothelial Nos Heme Domain with D-Lysine-D-Nitroarginine Amide Bound


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 2 of Bovine Endothelial Nos Heme Domain with D-Lysine-D-Nitroarginine Amide Bound within 5.0Å range: probe atom residue distance (Å) B Occ B:As852 b:86.5 occ:1.00 AS B:CAC852 0.0 86.5 1.0 C1 B:CAC852 1.8 89.3 1.0 C2 B:CAC852 1.8 88.3 1.0 SG B:CYS384 3.0 77.2 1.0 CB B:CYS384 3.4 71.3 1.0 CA B:CYS384 3.9 69.0 1.0 O B:HOH988 4.4 60.4 1.0 CE3 B:TRP324 4.4 75.0 1.0 CD2 B:TRP324 4.7 76.7 1.0 CD2 B:LEU328 4.7 66.5 1.0 CZ3 B:TRP324 4.8 71.9 1.0 N B:CYS384 4.9 68.1 1.0 C B:CYS384 5.0 68.8 1.0

M.Flinspach, H.Li, J.Jamal, W.Yang, H.Huang, R.B.Silverman, T.L.Poulos. Structures of the Neuronal and Endothelial Nitric Oxide Synthase Heme Domain with D-Nitroarginine-Containing Dipeptide Inhibitors Bound. Biochemistry V. 43 5181 2004.
ISSN: ISSN 0006-2960
PubMed: 15122883
DOI: 10.1021/BI0361867