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Arsenic in PDB 3n6b: Structure of Endothelial Nitric Oxide Synthase H373S Single 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 H373S Single 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 H373S Single 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 H373S Single 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: 3n6b 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) 39.46 / 3.10
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 57.764, 106.549, 157.823, 90.00, 90.00, 90.00
R / Rfree (%) 18.7 / 27.4

Other elements in 3n6b:

The structure of Structure of Endothelial Nitric Oxide Synthase H373S Single 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 H373S Single 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 3n6b). 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 H373S Single 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: 3n6b:
Jump to Arsenic binding site number: 1; 2;

Arsenic binding site 1 out of 2 in 3n6b

Go back to Arsenic Binding Sites List in 3n6b
Arsenic binding site 1 out of 2 in the Structure of Endothelial Nitric Oxide Synthase H373S Single 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 H373S Single 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:0.4
occ:1.00
 AS A:CAD950 0.0 0.4 1.0
C1 A:CAD950 2.0 0.8 1.0
C2 A:CAD950 2.0 0.4 1.0
SG A:CYS384 2.7 84.9 1.0
CB A:CYS384 3.4 81.0 1.0
CA A:CYS384 4.1 81.2 1.0
CB A:TRP324 4.7 81.4 1.0
CE3 A:TRP324 4.7 81.6 1.0
CD2 A:TRP324 4.7 81.3 1.0
CG A:TRP324 4.8 81.7 1.0
N A:CYS384 4.9 79.4 1.0

Arsenic binding site 2 out of 2 in 3n6b

Go back to Arsenic Binding Sites List in 3n6b
Arsenic binding site 2 out of 2 in the Structure of Endothelial Nitric Oxide Synthase H373S Single 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 H373S Single 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:0.4
occ:1.00
 AS B:CAD950 0.0 0.4 1.0
C1 B:CAD950 2.0 0.1 1.0
C2 B:CAD950 2.0 0.0 1.0
SG B:CYS384 2.9 89.8 1.0
CB B:CYS384 3.5 85.0 1.0
CA B:CYS384 4.1 86.5 1.0
CE3 B:TRP324 4.2 87.6 1.0
CD2 B:TRP324 4.4 89.9 1.0
CG B:TRP324 4.6 91.3 1.0
CB B:TRP324 4.6 93.4 1.0
CZ3 B:TRP324 4.8 83.4 1.0
CD1 B:LEU328 4.8 84.0 1.0
N B:CYS384 4.9 83.6 1.0
O B:TRP324 5.0 90.1 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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