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Arsenic in PDB 3n67: Structure of Endothelial Nitric Oxide Synthase N368D/V106M Double Mutant Heme Domain Complexed with 6,6'-(2,2'-(5-Amino-1,3-Phenylene) 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'-(5-Amino-1,3-Phenylene) 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'-(5-Amino-1,3-Phenylene) 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'-(5-Amino-1,3-Phenylene) Bis(Ethane-2,1-Diyl))Bis(4-Methylpyridin-2-Amine), PDB code: 3n67 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) 39.19 / 2.09
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 57.965, 106.605, 156.770, 90.00, 90.00, 90.00
R / Rfree (%) 17.3 / 21.8

Other elements in 3n67:

The structure of Structure of Endothelial Nitric Oxide Synthase N368D/V106M Double Mutant Heme Domain Complexed with 6,6'-(2,2'-(5-Amino-1,3-Phenylene) 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'-(5-Amino-1,3-Phenylene) Bis(Ethane-2,1-Diyl))Bis(4-Methylpyridin-2-Amine) (pdb code 3n67). 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'-(5-Amino-1,3-Phenylene) Bis(Ethane-2,1-Diyl))Bis(4-Methylpyridin-2-Amine), PDB code: 3n67:
Jump to Arsenic binding site number: 1; 2;

Arsenic binding site 1 out of 2 in 3n67

Go back to Arsenic Binding Sites List in 3n67
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'-(5-Amino-1,3-Phenylene) 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'-(5-Amino-1,3-Phenylene) Bis(Ethane-2,1-Diyl))Bis(4-Methylpyridin-2-Amine) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:As950

b:61.3
occ:1.00
 AS A:CAD950 0.0 61.3 1.0
C1 A:CAD950 2.0 61.2 1.0
C2 A:CAD950 2.0 64.7 1.0
SG A:CYS384 2.5 46.9 1.0
CB A:CYS384 3.2 43.3 1.0
CA A:CYS384 3.8 43.8 1.0
CE3 A:TRP324 4.2 35.1 1.0
CD2 A:TRP324 4.3 38.8 1.0
CG A:TRP324 4.4 37.8 1.0
CB A:TRP324 4.4 42.2 1.0
CD1 A:LEU328 4.6 41.7 1.0
N A:CYS384 4.7 42.5 1.0
C A:CYS384 4.8 43.7 1.0
CZ3 A:TRP324 4.9 35.4 1.0
O A:CYS384 4.9 43.8 1.0

Arsenic binding site 2 out of 2 in 3n67

Go back to Arsenic Binding Sites List in 3n67
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'-(5-Amino-1,3-Phenylene) 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'-(5-Amino-1,3-Phenylene) Bis(Ethane-2,1-Diyl))Bis(4-Methylpyridin-2-Amine) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:As950

b:67.9
occ:1.00
 AS B:CAD950 0.0 67.9 1.0
C1 B:CAD950 2.0 68.5 1.0
C2 B:CAD950 2.0 68.0 1.0
SG B:CYS384 2.4 57.1 1.0
CB B:CYS384 3.3 53.4 1.0
CA B:CYS384 3.7 54.3 1.0
CB B:TRP324 4.4 56.6 1.0
CE3 B:TRP324 4.5 56.2 1.0
N B:CYS384 4.6 52.9 1.0
CG B:TRP324 4.6 56.8 1.0
CD2 B:TRP324 4.6 56.7 1.0
C B:CYS384 4.8 53.8 1.0
O B:CYS384 4.9 54.8 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: Wed Jul 10 11:48:56 2024

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