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Arsenic in PDB 3n5p: Structure of Endothelial Nitric Oxide Synthase Heme Domain Complexed with 4-(2-(6-(2-(6-Amino-4-Methylpyridin-2-Yl)Ethyl)Pyridin-2-Yl) Ethyl)-6-Methylpyridin-2-Amine

Enzymatic activity of Structure of Endothelial Nitric Oxide Synthase Heme Domain Complexed with 4-(2-(6-(2-(6-Amino-4-Methylpyridin-2-Yl)Ethyl)Pyridin-2-Yl) Ethyl)-6-Methylpyridin-2-Amine

All present enzymatic activity of Structure of Endothelial Nitric Oxide Synthase Heme Domain Complexed with 4-(2-(6-(2-(6-Amino-4-Methylpyridin-2-Yl)Ethyl)Pyridin-2-Yl) Ethyl)-6-Methylpyridin-2-Amine:
1.14.13.39;

Protein crystallography data

The structure of Structure of Endothelial Nitric Oxide Synthase Heme Domain Complexed with 4-(2-(6-(2-(6-Amino-4-Methylpyridin-2-Yl)Ethyl)Pyridin-2-Yl) Ethyl)-6-Methylpyridin-2-Amine, PDB code: 3n5p was solved by S.L.Delker, H.Li, T.L.Poulos, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 43.63 / 2.39
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 60.044, 106.099, 158.602, 90.00, 90.00, 90.00
R / Rfree (%) 20.6 / 26

Other elements in 3n5p:

The structure of Structure of Endothelial Nitric Oxide Synthase Heme Domain Complexed with 4-(2-(6-(2-(6-Amino-4-Methylpyridin-2-Yl)Ethyl)Pyridin-2-Yl) Ethyl)-6-Methylpyridin-2-Amine also contains other interesting chemical elements:

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

Arsenic Binding Sites:

The binding sites of Arsenic atom in the Structure of Endothelial Nitric Oxide Synthase Heme Domain Complexed with 4-(2-(6-(2-(6-Amino-4-Methylpyridin-2-Yl)Ethyl)Pyridin-2-Yl) Ethyl)-6-Methylpyridin-2-Amine (pdb code 3n5p). This binding sites where shown within 5.0 Angstroms radius around Arsenic atom.
In total 2 binding sites of Arsenic where determined in the Structure of Endothelial Nitric Oxide Synthase Heme Domain Complexed with 4-(2-(6-(2-(6-Amino-4-Methylpyridin-2-Yl)Ethyl)Pyridin-2-Yl) Ethyl)-6-Methylpyridin-2-Amine, PDB code: 3n5p:
Jump to Arsenic binding site number: 1; 2;

Arsenic binding site 1 out of 2 in 3n5p

Go back to Arsenic Binding Sites List in 3n5p
Arsenic binding site 1 out of 2 in the Structure of Endothelial Nitric Oxide Synthase Heme Domain Complexed with 4-(2-(6-(2-(6-Amino-4-Methylpyridin-2-Yl)Ethyl)Pyridin-2-Yl) Ethyl)-6-Methylpyridin-2-Amine


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 1 of Structure of Endothelial Nitric Oxide Synthase Heme Domain Complexed with 4-(2-(6-(2-(6-Amino-4-Methylpyridin-2-Yl)Ethyl)Pyridin-2-Yl) Ethyl)-6-Methylpyridin-2-Amine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:As950

b:77.8
occ:1.00
AS A:CAD950 0.0 77.8 1.0
C1 A:CAD950 2.0 75.7 1.0
C2 A:CAD950 2.0 75.6 1.0
SG A:CYS384 2.8 45.8 1.0
CB A:CYS384 3.2 43.3 1.0
CA A:CYS384 3.8 44.2 1.0
CB A:TRP324 4.2 44.6 1.0
CG A:TRP324 4.3 41.3 1.0
CD2 A:TRP324 4.3 37.7 1.0
CE3 A:TRP324 4.3 35.7 1.0
N A:CYS384 4.8 43.9 1.0
C A:CYS384 4.8 44.2 1.0
O A:CYS384 4.9 45.2 1.0
CD1 A:TRP324 5.0 41.8 1.0

Arsenic binding site 2 out of 2 in 3n5p

Go back to Arsenic Binding Sites List in 3n5p
Arsenic binding site 2 out of 2 in the Structure of Endothelial Nitric Oxide Synthase Heme Domain Complexed with 4-(2-(6-(2-(6-Amino-4-Methylpyridin-2-Yl)Ethyl)Pyridin-2-Yl) Ethyl)-6-Methylpyridin-2-Amine


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 2 of Structure of Endothelial Nitric Oxide Synthase Heme Domain Complexed with 4-(2-(6-(2-(6-Amino-4-Methylpyridin-2-Yl)Ethyl)Pyridin-2-Yl) Ethyl)-6-Methylpyridin-2-Amine within 5.0Å range:
probe atom residue distance (Å) B Occ
B:As950

b:51.5
occ:1.00
AS B:CAD950 0.0 51.5 1.0
C2 B:CAD950 2.0 48.6 1.0
C1 B:CAD950 2.0 48.8 1.0
SG B:CYS384 2.2 57.9 1.0
CB B:CYS384 3.1 55.4 1.0
O B:ASP380 3.7 56.7 1.0
CE3 B:TRP324 3.8 42.4 1.0
CZ3 B:TRP324 3.9 41.2 1.0
CD2 B:LEU328 4.0 43.7 1.0
C B:ASP380 4.3 55.1 1.0
CA B:CYS384 4.4 55.4 1.0
CG B:LEU328 4.5 44.3 1.0
CD1 B:LEU328 4.6 41.1 1.0
CD2 B:TRP324 4.6 44.9 1.0
N B:CYS384 4.6 54.4 1.0
CA B:VAL381 4.7 52.0 1.0
N B:VAL381 4.8 52.7 1.0
CH2 B:TRP324 4.9 39.9 1.0
CB B:ASP380 4.9 56.5 1.0

Reference:

S.L.Delker, F.Xue, H.Li, J.Jamal, R.B.Silverman, T.L.Poulos. Role of Zinc in Isoform-Selective Inhibitor Binding to Neuronal Nitric Oxide Synthase . Biochemistry V. 49 10803 2010.
ISSN: ISSN 0006-2960
PubMed: 21138269
DOI: 10.1021/BI1013479
Page generated: Sat Dec 12 01:41:02 2020

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