Atomistry » Chlorine » PDB 5fs0-5fza » 5fvz
Atomistry »
  Chlorine »
    PDB 5fs0-5fza »
      5fvz »

Chlorine 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
Arsenic (As) 2 atoms
Iron (Fe) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine 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 Chlorine atom.
In total 2 binding sites of Chlorine 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 Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 5fvz

Go back to Chlorine Binding Sites List in 5fvz
Chlorine 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 Chlorine with other atoms in the Cl 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:Cl901

b:32.1
occ:1.00
 OH A:TYR359 3.0 28.7 1.0
O A:HOH2152 3.1 31.4 1.0
C12 A:W67800 3.1 39.1 1.0
ND2 A:ASN368 3.3 26.3 1.0
NE2 A:GLN249 3.3 29.5 1.0
N11 A:W67800 3.4 42.2 1.0
CE1 A:TYR359 3.6 32.1 1.0
C13 A:W67800 3.7 34.4 1.0
CZ A:TYR359 3.8 29.0 1.0
OH A:TYR333 3.8 32.6 1.0
NH2 A:ARG252 4.0 37.7 1.0
CG A:ASN368 4.1 28.6 1.0
OD1 A:ASN368 4.2 31.1 1.0
OE1 A:GLN249 4.2 34.4 1.0
C09 A:W67800 4.2 27.9 1.0
CD A:GLN249 4.2 34.4 1.0
C16 A:W67800 4.2 43.2 1.0
C14 A:W67800 4.5 36.0 1.0
NE1 A:TRP332 4.6 28.8 1.0
CZ2 A:TRP332 4.6 24.5 1.0
O A:HOH2202 4.6 28.3 1.0
C15 A:W67800 4.7 39.1 1.0
CZ A:TYR333 4.8 31.4 1.0
CD1 A:TYR359 4.8 28.4 1.0
OE1 A:GLU363 4.9 25.9 1.0
CE2 A:TRP332 5.0 29.2 1.0

Chlorine binding site 2 out of 2 in 5fvz

Go back to Chlorine Binding Sites List in 5fvz
Chlorine 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 Chlorine with other atoms in the Cl 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:Cl901

b:34.5
occ:1.00
 OH B:TYR359 2.9 30.4 1.0
O B:HOH2123 3.1 35.1 1.0
NE2 B:GLN249 3.2 32.1 1.0
C12 B:W67800 3.2 35.2 1.0
ND2 B:ASN368 3.3 30.9 1.0
N11 B:W67800 3.6 39.2 1.0
CE1 B:TYR359 3.6 25.2 1.0
C13 B:W67800 3.7 31.8 1.0
CZ B:TYR359 3.7 27.7 1.0
NH2 B:ARG252 4.0 37.8 1.0
OH B:TYR333 4.0 32.8 1.0
OD1 B:ASN368 4.1 34.0 1.0
CG B:ASN368 4.1 32.8 1.0
CD B:GLN249 4.1 34.5 1.0
C09 B:W67800 4.2 30.6 1.0
OE1 B:GLN249 4.2 31.5 1.0
C16 B:W67800 4.3 39.4 1.0
C14 B:W67800 4.5 34.2 1.0
O B:HOH2159 4.5 33.0 1.0
NE1 B:TRP332 4.6 32.7 1.0
CZ2 B:TRP332 4.6 33.4 1.0
C15 B:W67800 4.8 37.8 1.0
CD1 B:TYR359 4.9 30.4 1.0
CZ B:TYR333 4.9 33.8 1.0
CE2 B:TRP332 5.0 33.9 1.0
OE1 B:GLU363 5.0 26.4 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: Sat Jul 12 02:19:25 2025

Last articles

Cl in 7ZD7
Cl in 7ZD8
Cl in 7ZCK
Cl in 7ZD9
Cl in 7ZD3
Cl in 7ZD2
Cl in 7ZCZ
Cl in 7ZD1
Cl in 7ZD0
Cl in 7ZBV
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy