Arsenic in PDB 1fop: Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with L- Arg and No(H4B-Bound)

All present enzymatic activity of Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with L- Arg and No(H4B-Bound):
1.14.13.39;

The structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with L- Arg and No(H4B-Bound), PDB code: 1fop was solved by C.S.Raman, H.Li, P.Martasek, 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)	39.19 / 2.30
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	58.549, 106.247, 156.743, 90.00, 90.00, 90.00
R / Rfree (%)	22 / 27.7

The structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with L- Arg and No(H4B-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 Nitric Oxide Synthase Heme Domain Complexed with L- Arg and No(H4B-Bound) (pdb code 1fop). 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- Arg and No(H4B-Bound), PDB code: 1fop:
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- Arg and No(H4B-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 Nitric Oxide Synthase Heme Domain Complexed with L- Arg and No(H4B-Bound) within 5.0Å range: probe atom residue distance (Å) B Occ A:As1950 b:70.2 occ:1.00 AS A:CAC1950 0.0 70.2 1.0 C2 A:CAC1950 1.8 65.8 1.0 C1 A:CAC1950 1.8 65.3 1.0 SG A:CYS384 2.3 60.3 1.0 CB A:CYS384 3.3 51.7 1.0 CA A:CYS384 4.1 49.7 1.0 CE3 A:TRP324 4.4 44.8 1.0 CD1 A:LEU328 4.5 38.4 1.0 CD2 A:TRP324 4.6 45.0 1.0 CB A:TRP324 4.7 45.3 1.0 CG A:TRP324 4.8 44.9 1.0 N A:CYS384 4.9 48.0 1.0 CZ3 A:TRP324 5.0 45.1 1.0

Arsenic binding site 2 out of 2 in the Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with L- Arg and No(H4B-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 Nitric Oxide Synthase Heme Domain Complexed with L- Arg and No(H4B-Bound) within 5.0Å range: probe atom residue distance (Å) B Occ B:As2950 b:84.6 occ:1.00 AS B:CAC2950 0.0 84.6 1.0 C1 B:CAC2950 1.8 82.2 1.0 C2 B:CAC2950 1.8 81.3 1.0 SG B:CYS384 2.3 76.0 1.0 CB B:CYS384 3.1 68.3 1.0 CA B:CYS384 3.7 66.4 1.0 CE3 B:TRP324 4.4 68.8 1.0 CD2 B:TRP324 4.6 68.9 1.0 N B:CYS384 4.7 64.8 1.0 CG B:TRP324 4.7 68.7 1.0 CB B:TRP324 4.7 68.1 1.0 C B:CYS384 4.8 65.8 1.0 O B:CYS384 4.8 65.9 1.0 CD2 B:LEU328 4.9 62.0 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