Atomistry » Arsenic » PDB 3n67-3smt » 3n6a
Atomistry »
  Arsenic »
    PDB 3n67-3smt »
      3n6a »

Arsenic in PDB 3n6a: Structure of Endothelial Nitric Oxide Synthase N368D/V106M Double Mutant Heme Domain Complexed with 4-(2-(5-(2-(6-Amino-4- Methylpyridin-2-Yl)Ethyl)Pyridin-3-Yl)Ethyl)-6-Methylpyridin-2-Amine

Enzymatic activity of Structure of Endothelial Nitric Oxide Synthase N368D/V106M Double Mutant Heme Domain Complexed with 4-(2-(5-(2-(6-Amino-4- Methylpyridin-2-Yl)Ethyl)Pyridin-3-Yl)Ethyl)-6-Methylpyridin-2-Amine

All present enzymatic activity of Structure of Endothelial Nitric Oxide Synthase N368D/V106M Double Mutant Heme Domain Complexed with 4-(2-(5-(2-(6-Amino-4- Methylpyridin-2-Yl)Ethyl)Pyridin-3-Yl)Ethyl)-6-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 4-(2-(5-(2-(6-Amino-4- Methylpyridin-2-Yl)Ethyl)Pyridin-3-Yl)Ethyl)-6-Methylpyridin-2-Amine, PDB code: 3n6a 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) 42.76 / 2.49
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 58.071, 106.614, 156.886, 90.00, 90.00, 90.00
R / Rfree (%) 18.4 / 24.3

Other elements in 3n6a:

The structure of Structure of Endothelial Nitric Oxide Synthase N368D/V106M Double Mutant Heme Domain Complexed with 4-(2-(5-(2-(6-Amino-4- Methylpyridin-2-Yl)Ethyl)Pyridin-3-Yl)Ethyl)-6-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 4-(2-(5-(2-(6-Amino-4- Methylpyridin-2-Yl)Ethyl)Pyridin-3-Yl)Ethyl)-6-Methylpyridin-2-Amine (pdb code 3n6a). 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 4-(2-(5-(2-(6-Amino-4- Methylpyridin-2-Yl)Ethyl)Pyridin-3-Yl)Ethyl)-6-Methylpyridin-2-Amine, PDB code: 3n6a:
Jump to Arsenic binding site number: 1; 2;

Arsenic binding site 1 out of 2 in 3n6a

Go back to Arsenic Binding Sites List in 3n6a
Arsenic binding site 1 out of 2 in the Structure of Endothelial Nitric Oxide Synthase N368D/V106M Double Mutant Heme Domain Complexed with 4-(2-(5-(2-(6-Amino-4- Methylpyridin-2-Yl)Ethyl)Pyridin-3-Yl)Ethyl)-6-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 4-(2-(5-(2-(6-Amino-4- Methylpyridin-2-Yl)Ethyl)Pyridin-3-Yl)Ethyl)-6-Methylpyridin-2-Amine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:As950

b:53.9
occ:1.00
 AS A:CAD950 0.0 53.9 1.0
C2 A:CAD950 2.0 51.5 1.0
C1 A:CAD950 2.0 52.6 1.0
SG A:CYS384 2.5 40.6 1.0
CB A:CYS384 3.3 38.6 1.0
CA A:CYS384 3.8 38.9 1.0
CE3 A:TRP324 4.4 32.9 1.0
CD2 A:TRP324 4.6 34.9 1.0
CD1 A:LEU328 4.7 37.3 1.0
N A:CYS384 4.7 38.4 1.0
CB A:TRP324 4.8 39.8 1.0
CG A:TRP324 4.8 37.5 1.0
C A:CYS384 4.9 38.7 1.0

Arsenic binding site 2 out of 2 in 3n6a

Go back to Arsenic Binding Sites List in 3n6a
Arsenic binding site 2 out of 2 in the Structure of Endothelial Nitric Oxide Synthase N368D/V106M Double Mutant Heme Domain Complexed with 4-(2-(5-(2-(6-Amino-4- Methylpyridin-2-Yl)Ethyl)Pyridin-3-Yl)Ethyl)-6-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 4-(2-(5-(2-(6-Amino-4- Methylpyridin-2-Yl)Ethyl)Pyridin-3-Yl)Ethyl)-6-Methylpyridin-2-Amine within 5.0Å range:
probe atom residue distance (Å) B Occ
B:As950

b:56.0
occ:1.00
 AS B:CAD950 0.0 56.0 1.0
C1 B:CAD950 2.0 56.4 1.0
C2 B:CAD950 2.0 55.2 1.0
SG B:CYS384 2.4 49.9 1.0
CB B:CYS384 3.2 46.7 1.0
CA B:CYS384 3.7 48.0 1.0
CE3 B:TRP324 4.4 52.8 1.0
N B:CYS384 4.6 46.9 1.0
CD2 B:TRP324 4.6 53.8 1.0
CB B:TRP324 4.7 57.6 1.0
C B:CYS384 4.8 47.9 1.0
CG B:TRP324 4.8 56.2 1.0
O B:CYS384 4.8 49.1 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: Sun Jul 6 23:28:36 2025

Last articles

Cl in 3WTN
Cl in 3WWP
Cl in 3X1S
Cl in 3WZK
Cl in 3WZE
Cl in 3WZD
Cl in 3WXU
Cl in 3WW6
Cl in 3WXT
Cl in 3WW5
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy