Arsenic in PDB 1rs9: Bovine Endothelial Nos Heme Domain with D-Phenylalanine-D- Nitroarginine Amide Bound

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

The structure of Bovine Endothelial Nos Heme Domain with D-Phenylalanine-D- Nitroarginine Amide Bound, PDB code: 1rs9 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)	39.50 / 2.22
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	58.791, 106.647, 157.659, 90.00, 90.00, 90.00
R / Rfree (%)	21.5 / 26.4

The structure of Bovine Endothelial Nos Heme Domain with D-Phenylalanine-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-Phenylalanine-D- Nitroarginine Amide Bound (pdb code 1rs9). 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-Phenylalanine-D- Nitroarginine Amide Bound, PDB code: 1rs9:
Jump to Arsenic binding site number: 1; 2;

Arsenic binding site 1 out of 2 in the Bovine Endothelial Nos Heme Domain with D-Phenylalanine-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-Phenylalanine-D- Nitroarginine Amide Bound within 5.0Å range: probe atom residue distance (Å) B Occ A:As850 b:88.3 occ:1.00 AS A:CAC850 0.0 88.3 1.0 C1 A:CAC850 1.8 87.1 1.0 C2 A:CAC850 1.8 85.3 1.0 SG A:CYS384 2.9 63.6 1.0 CB A:CYS384 3.3 56.2 1.0 CA A:CYS384 4.0 55.7 1.0 CB A:TRP324 4.3 50.5 1.0 CE3 A:TRP324 4.3 53.3 1.0 CD2 A:TRP324 4.4 53.3 1.0 CG A:TRP324 4.4 53.1 1.0 CD1 A:LEU328 4.7 49.4 1.0 N A:CYS384 4.9 52.8 1.0 C A:CYS384 5.0 56.4 1.0

Arsenic binding site 2 out of 2 in the Bovine Endothelial Nos Heme Domain with D-Phenylalanine-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-Phenylalanine-D- Nitroarginine Amide Bound within 5.0Å range: probe atom residue distance (Å) B Occ B:As852 b:0.8 occ:1.00 AS B:CAC852 0.0 0.8 1.0 C1 B:CAC852 1.8 0.4 1.0 C2 B:CAC852 1.8 0.1 1.0 SG B:CYS384 3.1 73.4 1.0 CB B:CYS384 3.4 69.2 1.0 CA B:CYS384 4.0 67.8 1.0 CE3 B:TRP324 4.1 70.5 1.0 CD2 B:TRP324 4.4 71.0 1.0 CZ3 B:TRP324 4.6 70.5 1.0 CG B:TRP324 4.7 71.3 1.0 O B:CYS384 4.8 68.8 1.0 C B:CYS384 4.9 68.3 1.0 CB B:TRP324 4.9 70.8 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