Atomistry » Arsenic » PDB 3n67-3smt » 3n6b
Atomistry »
  Arsenic »
    PDB 3n67-3smt »
      3n6b »

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

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy