Arsenic in PDB 3nse: Bovine Enos, H4B-Free, Seitu Complex

All present enzymatic activity of Bovine Enos, H4B-Free, Seitu Complex:
1.14.13.39;

The structure of Bovine Enos, H4B-Free, Seitu Complex, PDB code: 3nse 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 / 2.10
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	58.170, 107.140, 156.530, 90.00, 90.00, 90.00
R / Rfree (%)	19.7 / 25.2

The structure of Bovine Enos, H4B-Free, Seitu Complex also contains other interesting chemical elements:

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

The binding sites of Arsenic atom in the Bovine Enos, H4B-Free, Seitu Complex (pdb code 3nse). 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 Enos, H4B-Free, Seitu Complex, PDB code: 3nse:
Jump to Arsenic binding site number: 1; 2;

Arsenic binding site 1 out of 2 in the Bovine Enos, H4B-Free, Seitu Complex


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 1 of Bovine Enos, H4B-Free, Seitu Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:As950 b:45.0 occ:1.00 AS A:CAC950 0.0 45.0 1.0 C1 A:CAC950 1.8 40.1 1.0 C2 A:CAC950 1.8 44.0 1.0 SG A:CYS384 2.3 30.7 1.0 CB A:CYS384 3.3 22.2 1.0 CA A:CYS384 3.8 20.4 1.0 CE3 A:TRP324 4.6 15.3 1.0 N A:CYS384 4.7 22.5 1.0 CD1 A:LEU328 4.8 20.7 1.0 CD2 A:TRP324 4.8 16.3 1.0 C A:CYS384 5.0 19.6 1.0

Arsenic binding site 2 out of 2 in the Bovine Enos, H4B-Free, Seitu Complex


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 2 of Bovine Enos, H4B-Free, Seitu Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:As950 b:46.4 occ:1.00 AS B:CAC950 0.0 46.4 1.0 C2 B:CAC950 1.8 44.7 1.0 C1 B:CAC950 1.8 46.3 1.0 SG B:CYS384 2.2 37.0 1.0 CB B:CYS384 3.2 30.3 1.0 CA B:CYS384 3.7 27.4 1.0 O B:HOH998 4.2 46.8 1.0 CE3 B:TRP324 4.5 36.9 1.0 N B:CYS384 4.7 29.0 1.0 CB B:TRP324 4.7 34.2 1.0 CD2 B:TRP324 4.7 36.2 1.0 CG B:TRP324 4.8 35.5 1.0 C B:CYS384 4.9 27.6 1.0 O B:CYS384 4.9 25.0 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