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Arsenic in PDB 3n69: Structure of Endothelial Nitric Oxide Synthase N368D/V106M Double Mutant Heme Domain Complexed with 6,6'-(2,2'-(Pyridine-3,5-Diyl) Bis(Ethane-2,1-Diyl))Bis(4-Methylpyridin-2-Amine)

Enzymatic activity of Structure of Endothelial Nitric Oxide Synthase N368D/V106M Double Mutant Heme Domain Complexed with 6,6'-(2,2'-(Pyridine-3,5-Diyl) Bis(Ethane-2,1-Diyl))Bis(4-Methylpyridin-2-Amine)

All present enzymatic activity of Structure of Endothelial Nitric Oxide Synthase N368D/V106M Double Mutant Heme Domain Complexed with 6,6'-(2,2'-(Pyridine-3,5-Diyl) Bis(Ethane-2,1-Diyl))Bis(4-Methylpyridin-2-Amine):
1.14.13.39;

Protein crystallography data

The structure of Structure of Endothelial Nitric Oxide Synthase N368D/V106M Double Mutant Heme Domain Complexed with 6,6'-(2,2'-(Pyridine-3,5-Diyl) Bis(Ethane-2,1-Diyl))Bis(4-Methylpyridin-2-Amine), PDB code: 3n69 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) 39.30 / 2.65
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 58.151, 106.633, 156.963, 90.00, 90.00, 90.00
R / Rfree (%) 16.7 / 21.5

Other elements in 3n69:

The structure of Structure of Endothelial Nitric Oxide Synthase N368D/V106M Double Mutant Heme Domain Complexed with 6,6'-(2,2'-(Pyridine-3,5-Diyl) Bis(Ethane-2,1-Diyl))Bis(4-Methylpyridin-2-Amine) 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 Structure of Endothelial Nitric Oxide Synthase N368D/V106M Double Mutant Heme Domain Complexed with 6,6'-(2,2'-(Pyridine-3,5-Diyl) Bis(Ethane-2,1-Diyl))Bis(4-Methylpyridin-2-Amine) (pdb code 3n69). 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 N368D/V106M Double Mutant Heme Domain Complexed with 6,6'-(2,2'-(Pyridine-3,5-Diyl) Bis(Ethane-2,1-Diyl))Bis(4-Methylpyridin-2-Amine), PDB code: 3n69:
Jump to Arsenic binding site number: 1; 2;

Arsenic binding site 1 out of 2 in 3n69

Go back to Arsenic Binding Sites List in 3n69
Arsenic binding site 1 out of 2 in the Structure of Endothelial Nitric Oxide Synthase N368D/V106M Double Mutant Heme Domain Complexed with 6,6'-(2,2'-(Pyridine-3,5-Diyl) Bis(Ethane-2,1-Diyl))Bis(4-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 N368D/V106M Double Mutant Heme Domain Complexed with 6,6'-(2,2'-(Pyridine-3,5-Diyl) Bis(Ethane-2,1-Diyl))Bis(4-Methylpyridin-2-Amine) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:As950

b:56.8
occ:1.00
 AS A:CAD950 0.0 56.8 1.0
C2 A:CAD950 2.0 60.5 1.0
C1 A:CAD950 2.0 59.4 1.0
SG A:CYS384 2.4 43.4 1.0
CB A:CYS384 3.2 39.6 1.0
CA A:CYS384 3.7 40.3 1.0
CE3 A:TRP324 4.2 35.9 1.0
CD2 A:TRP324 4.3 38.0 1.0
CG A:TRP324 4.3 39.0 1.0
CB A:TRP324 4.4 41.3 1.0
N A:CYS384 4.7 38.4 1.0
CD1 A:LEU328 4.7 37.5 1.0
C A:CYS384 4.8 40.4 1.0
O A:CYS384 4.8 40.7 1.0
CZ3 A:TRP324 4.9 34.7 1.0

Arsenic binding site 2 out of 2 in 3n69

Go back to Arsenic Binding Sites List in 3n69
Arsenic binding site 2 out of 2 in the Structure of Endothelial Nitric Oxide Synthase N368D/V106M Double Mutant Heme Domain Complexed with 6,6'-(2,2'-(Pyridine-3,5-Diyl) Bis(Ethane-2,1-Diyl))Bis(4-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 N368D/V106M Double Mutant Heme Domain Complexed with 6,6'-(2,2'-(Pyridine-3,5-Diyl) Bis(Ethane-2,1-Diyl))Bis(4-Methylpyridin-2-Amine) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:As950

b:61.7
occ:1.00
 AS B:CAD950 0.0 61.7 1.0
C1 B:CAD950 2.0 60.4 1.0
C2 B:CAD950 2.0 62.2 1.0
SG B:CYS384 2.4 49.7 1.0
CB B:CYS384 3.2 48.9 1.0
CA B:CYS384 3.7 48.8 1.0
O B:HOH1414 4.4 28.6 1.0
CE3 B:TRP324 4.6 50.2 1.0
N B:CYS384 4.6 48.0 1.0
CD2 B:TRP324 4.8 51.4 1.0
C B:CYS384 4.8 47.9 1.0
O B:CYS384 4.9 47.4 1.0
CB B:TRP324 4.9 57.5 1.0
CG B:TRP324 4.9 56.4 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: Sun Jul 6 23:28:36 2025

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