Atomistry » Arsenic » PDB 3n67-3smt » 3n6e
Atomistry »
  Arsenic »
    PDB 3n67-3smt »
      3n6e »

Arsenic in PDB 3n6e: Structure of Endothelial Nitric Oxide Synthase N368D 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 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 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 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: 3n6e 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) 37.40 / 2.20
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 57.969, 106.920, 157.060, 90.00, 90.00, 90.00
R / Rfree (%) 17.9 / 21.5

Other elements in 3n6e:

The structure of Structure of Endothelial Nitric Oxide Synthase N368D 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 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 3n6e). 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 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: 3n6e:
Jump to Arsenic binding site number: 1; 2;

Arsenic binding site 1 out of 2 in 3n6e

Go back to Arsenic Binding Sites List in 3n6e
Arsenic binding site 1 out of 2 in the Structure of Endothelial Nitric Oxide Synthase N368D 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 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:70.6
occ:1.00
 AS A:CAD950 0.0 70.6 1.0
C1 A:CAD950 2.0 71.6 1.0
C2 A:CAD950 2.0 72.3 1.0
SG A:CYS384 2.7 43.1 1.0
CB A:CYS384 3.3 38.9 1.0
CA A:CYS384 4.0 39.5 1.0
CE3 A:TRP324 4.3 33.8 1.0
CD2 A:TRP324 4.4 35.5 1.0
CB A:TRP324 4.5 39.3 1.0
CG A:TRP324 4.5 37.1 1.0
CD1 A:LEU328 4.7 40.1 1.0
O A:HOH1049 4.9 21.5 1.0
N A:CYS384 4.9 38.1 1.0
CZ3 A:TRP324 5.0 32.0 1.0

Arsenic binding site 2 out of 2 in 3n6e

Go back to Arsenic Binding Sites List in 3n6e
Arsenic binding site 2 out of 2 in the Structure of Endothelial Nitric Oxide Synthase N368D 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 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:87.1
occ:1.00
 AS B:CAD950 0.0 87.1 1.0
C2 B:CAD950 2.0 87.1 1.0
C1 B:CAD950 2.0 86.6 1.0
SG B:CYS384 2.5 52.6 1.0
CB B:CYS384 3.4 49.3 1.0
CA B:CYS384 4.0 50.1 1.0
CE3 B:TRP324 4.6 48.1 1.0
N B:CYS384 4.8 48.9 1.0
CB B:TRP324 4.8 53.4 1.0
CD2 B:TRP324 4.8 49.5 1.0
CG B:TRP324 4.9 51.8 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: Sun Jul 6 23:29:01 2025

Last articles

K in 1DZ8
K in 1DZ6
K in 1E12
K in 1DOI
K in 1DZ4
K in 1DUL
K in 1DTW
K in 1DIO
K in 1DKA
K in 1DK1
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy