Atomistry » Arsenic » PDB 4zt2-5hr7 » 5fvz
Atomistry »
  Arsenic »
    PDB 4zt2-5hr7 »
      5fvz »

Arsenic in PDB 5fvz: Structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain in Complex with 6-(2-(5-(3-(Dimethylamino)Propyl) Pyridin-3-Yl)Ethyl)-4-Methylpyridin-2-Amine

Enzymatic activity of Structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain in Complex with 6-(2-(5-(3-(Dimethylamino)Propyl) Pyridin-3-Yl)Ethyl)-4-Methylpyridin-2-Amine

All present enzymatic activity of Structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain in Complex with 6-(2-(5-(3-(Dimethylamino)Propyl) Pyridin-3-Yl)Ethyl)-4-Methylpyridin-2-Amine:
1.14.13.39;

Protein crystallography data

The structure of Structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain in Complex with 6-(2-(5-(3-(Dimethylamino)Propyl) Pyridin-3-Yl)Ethyl)-4-Methylpyridin-2-Amine, PDB code: 5fvz was solved by H.Li, T.L.Poulos, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 39.191 / 2.05
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 57.765, 106.693, 157.447, 90.00, 90.00, 90.00
R / Rfree (%) 17.25 / 21.14

Other elements in 5fvz:

The structure of Structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain in Complex with 6-(2-(5-(3-(Dimethylamino)Propyl) Pyridin-3-Yl)Ethyl)-4-Methylpyridin-2-Amine also contains other interesting chemical elements:

Zinc (Zn) 1 atom
Iron (Fe) 2 atoms
Chlorine (Cl) 2 atoms

Arsenic Binding Sites:

The binding sites of Arsenic atom in the Structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain in Complex with 6-(2-(5-(3-(Dimethylamino)Propyl) Pyridin-3-Yl)Ethyl)-4-Methylpyridin-2-Amine (pdb code 5fvz). 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 Bovine Endothelial Nitric Oxide Synthase Heme Domain in Complex with 6-(2-(5-(3-(Dimethylamino)Propyl) Pyridin-3-Yl)Ethyl)-4-Methylpyridin-2-Amine, PDB code: 5fvz:
Jump to Arsenic binding site number: 1; 2;

Arsenic binding site 1 out of 2 in 5fvz

Go back to Arsenic Binding Sites List in 5fvz
Arsenic binding site 1 out of 2 in the Structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain in Complex with 6-(2-(5-(3-(Dimethylamino)Propyl) Pyridin-3-Yl)Ethyl)-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 Bovine Endothelial Nitric Oxide Synthase Heme Domain in Complex with 6-(2-(5-(3-(Dimethylamino)Propyl) Pyridin-3-Yl)Ethyl)-4-Methylpyridin-2-Amine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:As384

b:83.7
occ:1.00
 AS A:CAS384 0.0 83.7 1.0
CE2 A:CAS384 2.0 83.1 1.0
CE1 A:CAS384 2.0 53.8 1.0
SG A:CAS384 2.4 40.7 1.0
CB A:CAS384 3.2 41.5 1.0
CA A:CAS384 3.8 33.3 1.0
O A:HOH2219 4.2 53.0 1.0
CE3 A:TRP324 4.5 32.5 1.0
N A:CAS384 4.7 39.1 1.0
CD2 A:TRP324 4.8 37.1 1.0
CD1 A:LEU328 4.8 35.8 1.0
C A:CAS384 4.9 34.9 1.0
CG A:TRP324 5.0 34.6 1.0
CB A:TRP324 5.0 38.8 1.0

Arsenic binding site 2 out of 2 in 5fvz

Go back to Arsenic Binding Sites List in 5fvz
Arsenic binding site 2 out of 2 in the Structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain in Complex with 6-(2-(5-(3-(Dimethylamino)Propyl) Pyridin-3-Yl)Ethyl)-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 Bovine Endothelial Nitric Oxide Synthase Heme Domain in Complex with 6-(2-(5-(3-(Dimethylamino)Propyl) Pyridin-3-Yl)Ethyl)-4-Methylpyridin-2-Amine within 5.0Å range:
probe atom residue distance (Å) B Occ
B:As384

b:1.0
occ:1.00
 AS B:CAS384 0.0 1.0 1.0
CE2 B:CAS384 2.0 82.0 1.0
CE1 B:CAS384 2.0 66.8 1.0
SG B:CAS384 2.4 75.0 1.0
CB B:CAS384 3.2 48.8 1.0
CA B:CAS384 4.0 54.6 1.0
CE3 B:TRP324 4.2 58.4 1.0
CB B:TRP324 4.3 62.9 1.0
CD2 B:TRP324 4.4 62.8 1.0
CG B:TRP324 4.5 63.0 1.0
N B:CAS384 4.9 55.0 1.0
CZ3 B:TRP324 5.0 56.6 1.0

Reference:

H.Wang, Y.Qin, H.Li, L.J.Roman, P.Martasek, T.L.Poulos, R.B.Silverman. Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibition By Optimization of the 2-Aminopyridine-Based Scaffold with A Pyridine Linker. J.Med.Chem. V. 59 4913 2016.
ISSN: ISSN 0022-2623
PubMed: 27050842
DOI: 10.1021/ACS.JMEDCHEM.6B00273
Page generated: Wed Jul 10 12:48:59 2024

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy