Atomistry » Arsenic » PDB 3g3s-3n5t » 3n5t
Atomistry »
  Arsenic »
    PDB 3g3s-3n5t »
      3n5t »

Arsenic in PDB 3n5t: Structure of Endothelial Nitric Oxide Synthase 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 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 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 Heme Domain Complexed with 6,6'-(2,2'-(Pyridine-3,5-Diyl)Bis(Ethane-2,1-Diyl))Bis(4- Methylpyridin-2-Amine), PDB code: 3n5t 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) 42.82 / 2.52
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 58.120, 106.744, 157.382, 90.00, 90.00, 90.00
R / Rfree (%) 18.6 / 24.8

Other elements in 3n5t:

The structure of Structure of Endothelial Nitric Oxide Synthase 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 Heme Domain Complexed with 6,6'-(2,2'-(Pyridine-3,5-Diyl)Bis(Ethane-2,1-Diyl))Bis(4- Methylpyridin-2-Amine) (pdb code 3n5t). 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 6,6'-(2,2'-(Pyridine-3,5-Diyl)Bis(Ethane-2,1-Diyl))Bis(4- Methylpyridin-2-Amine), PDB code: 3n5t:
Jump to Arsenic binding site number: 1; 2;

Arsenic binding site 1 out of 2 in 3n5t

Go back to Arsenic Binding Sites List in 3n5t
Arsenic binding site 1 out of 2 in the Structure of Endothelial Nitric Oxide Synthase 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 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:68.0
occ:1.00
AS A:CAD950 0.0 68.0 1.0
C2 A:CAD950 2.0 69.1 1.0
C1 A:CAD950 2.0 67.6 1.0
SG A:CYS384 2.4 46.9 1.0
CB A:CYS384 3.3 44.2 1.0
CA A:CYS384 3.8 44.8 1.0
CE3 A:TRP324 4.4 41.9 1.0
CD2 A:TRP324 4.6 44.8 1.0
N A:CYS384 4.7 42.9 1.0
CB A:TRP324 4.7 47.6 1.0
CG A:TRP324 4.7 47.0 1.0
CD1 A:LEU328 4.8 42.4 1.0
C A:CYS384 4.9 45.4 1.0

Arsenic binding site 2 out of 2 in 3n5t

Go back to Arsenic Binding Sites List in 3n5t
Arsenic binding site 2 out of 2 in the Structure of Endothelial Nitric Oxide Synthase 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 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:62.7
occ:1.00
AS B:CAD950 0.0 62.7 1.0
C1 B:CAD950 2.0 61.2 1.0
C2 B:CAD950 2.0 62.3 1.0
SG B:CYS384 2.6 61.8 1.0
CB B:CYS384 3.2 58.2 1.0
CA B:CYS384 3.6 59.3 1.0
N B:CYS384 4.5 57.5 1.0
CE3 B:TRP324 4.6 55.4 1.0
C B:CYS384 4.8 58.7 1.0
CD2 B:TRP324 4.8 58.4 1.0
CB B:TRP324 5.0 62.9 1.0
O B:CYS384 5.0 61.2 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: Tue Oct 27 16:50:45 2020

Last articles

Xe in 6AYK
Xe in 6QII
Xe in 6ASM
Xe in 5NSW
Xe in 6FY9
Xe in 5O1K
Xe in 5O27
Xe in 5M69
Xe in 5KPU
Xe in 5I63
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy