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Arsenic in PDB 9nse: Bovine Endothelial Nitric Oxide Synthase, Ethyl-Isoselenourea Complex

Enzymatic activity of Bovine Endothelial Nitric Oxide Synthase, Ethyl-Isoselenourea Complex

All present enzymatic activity of Bovine Endothelial Nitric Oxide Synthase, Ethyl-Isoselenourea Complex:
1.14.13.39;

Protein crystallography data

The structure of Bovine Endothelial Nitric Oxide Synthase, Ethyl-Isoselenourea Complex, PDB code: 9nse was solved by H.Li, C.S.Raman, 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 / 2.24
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 57.740, 106.360, 156.300, 90.00, 90.00, 90.00
R / Rfree (%) 19.7 / 25.4

Other elements in 9nse:

The structure of Bovine Endothelial Nitric Oxide Synthase, Ethyl-Isoselenourea Complex also contains other interesting chemical elements:

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

Arsenic Binding Sites:

The binding sites of Arsenic atom in the Bovine Endothelial Nitric Oxide Synthase, Ethyl-Isoselenourea Complex (pdb code 9nse). 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, Ethyl-Isoselenourea Complex, PDB code: 9nse:
Jump to Arsenic binding site number: 1; 2;

Arsenic binding site 1 out of 2 in 9nse

Go back to Arsenic Binding Sites List in 9nse
Arsenic binding site 1 out of 2 in the Bovine Endothelial Nitric Oxide Synthase, Ethyl-Isoselenourea 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, Ethyl-Isoselenourea Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:As950

b:64.1
occ:1.00
AS A:CAD950 0.0 64.1 1.0
C2 A:CAD950 1.8 45.9 1.0
C1 A:CAD950 1.8 57.8 1.0
SG A:CYS384 2.3 42.8 1.0
CB A:CYS384 3.3 32.2 1.0
CA A:CYS384 4.0 24.6 1.0
CE3 A:TRP324 4.5 17.8 1.0
CD1 A:LEU328 4.6 17.1 1.0
N A:CYS384 4.8 28.9 1.0
CD2 A:TRP324 4.8 18.2 1.0
CB A:TRP324 5.0 21.1 1.0

Arsenic binding site 2 out of 2 in 9nse

Go back to Arsenic Binding Sites List in 9nse
Arsenic binding site 2 out of 2 in the Bovine Endothelial Nitric Oxide Synthase, Ethyl-Isoselenourea 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, Ethyl-Isoselenourea Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
B:As950

b:71.6
occ:1.00
AS B:CAD950 0.0 71.6 1.0
C1 B:CAD950 1.8 74.6 1.0
C2 B:CAD950 1.8 74.7 1.0
SG B:CYS384 2.3 54.3 1.0
CB B:CYS384 3.0 42.1 1.0
CA B:CYS384 3.7 37.0 1.0
CE3 B:TRP324 4.1 41.8 1.0
CD2 B:TRP324 4.3 44.0 1.0
CB B:TRP324 4.4 37.9 1.0
CG B:TRP324 4.4 42.4 1.0
N B:CYS384 4.7 35.7 1.0
C B:CYS384 4.8 37.0 1.0
CZ3 B:TRP324 4.8 37.6 1.0
O B:HOH996 4.8 62.4 1.0
O B:CYS384 4.8 37.9 1.0

Reference:

H.Li, C.S.Raman, P.Martasek, V.Kral, B.S.Masters, T.L.Poulos. Mapping the Active Site Polarity in Structures of Endothelial Nitric Oxide Synthase Heme Domain Complexed with Isothioureas. J.Inorg.Biochem. V. 81 133 2000.
ISSN: ISSN 0162-0134
PubMed: 11051558
DOI: 10.1016/S0162-0134(00)00099-4
Page generated: Tue Oct 27 16:57:50 2020

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