Atomistry » Chlorine » PDB 7tp6-7u1d » 7tsk
Atomistry »
  Chlorine »
    PDB 7tp6-7u1d »
      7tsk »

Chlorine in PDB 7tsk: Structure of Human Endothelial Nitric Oxide Synthase Heme Domain in Complex with 4-Methyl-6-(3-(Methylamino)Prop-1-Yn-1-Yl)Pyridin-2- Amine

Enzymatic activity of Structure of Human Endothelial Nitric Oxide Synthase Heme Domain in Complex with 4-Methyl-6-(3-(Methylamino)Prop-1-Yn-1-Yl)Pyridin-2- Amine

All present enzymatic activity of Structure of Human Endothelial Nitric Oxide Synthase Heme Domain in Complex with 4-Methyl-6-(3-(Methylamino)Prop-1-Yn-1-Yl)Pyridin-2- Amine:
1.14.13.39;

Protein crystallography data

The structure of Structure of Human Endothelial Nitric Oxide Synthase Heme Domain in Complex with 4-Methyl-6-(3-(Methylamino)Prop-1-Yn-1-Yl)Pyridin-2- Amine, PDB code: 7tsk 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) 36.40 / 2.05
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 59.745, 154.022, 109.19, 90, 90.49, 90
R / Rfree (%) 20.7 / 26.4

Other elements in 7tsk:

The structure of Structure of Human Endothelial Nitric Oxide Synthase Heme Domain in Complex with 4-Methyl-6-(3-(Methylamino)Prop-1-Yn-1-Yl)Pyridin-2- Amine also contains other interesting chemical elements:

Gadolinium (Gd) 4 atoms
Iron (Fe) 4 atoms
Zinc (Zn) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Structure of Human Endothelial Nitric Oxide Synthase Heme Domain in Complex with 4-Methyl-6-(3-(Methylamino)Prop-1-Yn-1-Yl)Pyridin-2- Amine (pdb code 7tsk). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Structure of Human Endothelial Nitric Oxide Synthase Heme Domain in Complex with 4-Methyl-6-(3-(Methylamino)Prop-1-Yn-1-Yl)Pyridin-2- Amine, PDB code: 7tsk:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 7tsk

Go back to Chlorine Binding Sites List in 7tsk
Chlorine binding site 1 out of 4 in the Structure of Human Endothelial Nitric Oxide Synthase Heme Domain in Complex with 4-Methyl-6-(3-(Methylamino)Prop-1-Yn-1-Yl)Pyridin-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 Human Endothelial Nitric Oxide Synthase Heme Domain in Complex with 4-Methyl-6-(3-(Methylamino)Prop-1-Yn-1-Yl)Pyridin-2- Amine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl509

b:54.5
occ:1.00
 OH A:TYR357 3.0 46.3 1.0
O A:HOH670 3.0 57.6 1.0
ND2 A:ASN366 3.2 43.9 1.0
NE2 A:GLN247 3.3 48.5 1.0
CE1 A:TYR357 3.5 45.6 1.0
CZ A:TYR357 3.7 42.8 1.0
OD1 A:ASN366 4.0 53.6 1.0
C10 A:K9C503 4.0 54.0 1.0
OH A:TYR331 4.0 56.8 1.0
CG A:ASN366 4.0 51.4 1.0
CD A:GLN247 4.2 54.4 1.0
OE1 A:GLN247 4.2 61.8 1.0
NH2 A:ARG250 4.3 67.5 1.0
CZ2 A:TRP330 4.5 48.3 1.0
C09 A:K9C503 4.5 55.6 1.0
OE1 A:GLU361 4.6 68.3 1.0
NE1 A:TRP330 4.7 47.5 1.0
CD1 A:TYR357 4.7 45.8 1.0
CE2 A:TRP330 5.0 45.6 1.0

Chlorine binding site 2 out of 4 in 7tsk

Go back to Chlorine Binding Sites List in 7tsk
Chlorine binding site 2 out of 4 in the Structure of Human Endothelial Nitric Oxide Synthase Heme Domain in Complex with 4-Methyl-6-(3-(Methylamino)Prop-1-Yn-1-Yl)Pyridin-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 Human Endothelial Nitric Oxide Synthase Heme Domain in Complex with 4-Methyl-6-(3-(Methylamino)Prop-1-Yn-1-Yl)Pyridin-2- Amine within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl507

b:45.2
occ:1.00
 OH B:TYR357 2.9 33.1 1.0
O B:HOH726 3.0 38.7 1.0
NE2 B:GLN247 3.2 32.0 1.0
O B:HOH626 3.2 36.6 1.0
ND2 B:ASN366 3.2 28.6 1.0
CE1 B:TYR357 3.5 32.5 1.0
CZ B:TYR357 3.6 33.0 1.0
OH B:TYR331 3.8 29.2 1.0
OD1 B:ASN366 4.0 37.6 1.0
CG B:ASN366 4.1 39.0 1.0
CD B:GLN247 4.1 36.4 1.0
OE1 B:GLN247 4.1 30.6 1.0
NH1 B:ARG250 4.2 48.4 1.0
C10 B:K9C503 4.3 40.4 1.0
CZ2 B:TRP330 4.5 27.5 1.0
C09 B:K9C503 4.6 37.5 1.0
O B:HOH728 4.6 33.9 1.0
NE1 B:TRP330 4.7 31.3 1.0
CD1 B:TYR357 4.8 26.1 1.0
OE1 B:GLU361 4.8 41.5 1.0
CZ B:TYR331 4.9 30.8 1.0
CE2 B:TRP330 5.0 33.0 1.0
CE2 B:TYR357 5.0 30.1 1.0

Chlorine binding site 3 out of 4 in 7tsk

Go back to Chlorine Binding Sites List in 7tsk
Chlorine binding site 3 out of 4 in the Structure of Human Endothelial Nitric Oxide Synthase Heme Domain in Complex with 4-Methyl-6-(3-(Methylamino)Prop-1-Yn-1-Yl)Pyridin-2- Amine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structure of Human Endothelial Nitric Oxide Synthase Heme Domain in Complex with 4-Methyl-6-(3-(Methylamino)Prop-1-Yn-1-Yl)Pyridin-2- Amine within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl508

b:50.4
occ:1.00
 OH C:TYR357 2.9 37.4 1.0
NE2 C:GLN247 3.3 41.2 1.0
ND2 C:ASN366 3.3 31.9 1.0
CE1 C:TYR357 3.5 45.5 1.0
O C:HOH654 3.6 46.1 1.0
CZ C:TYR357 3.7 36.9 1.0
OD1 C:ASN366 4.0 32.9 1.0
OH C:TYR331 4.0 53.7 1.0
C10 C:K9C503 4.0 57.9 1.0
CG C:ASN366 4.1 46.9 1.0
NH2 C:ARG250 4.2 57.2 1.0
CD C:GLN247 4.2 43.5 1.0
O C:HOH682 4.3 35.5 1.0
OE1 C:GLN247 4.4 39.2 1.0
C09 C:K9C503 4.4 53.0 1.0
NE1 C:TRP330 4.8 40.3 1.0
OE1 C:GLU361 4.8 38.0 1.0
CZ2 C:TRP330 4.8 45.2 1.0
CD1 C:TYR357 4.8 46.3 1.0

Chlorine binding site 4 out of 4 in 7tsk

Go back to Chlorine Binding Sites List in 7tsk
Chlorine binding site 4 out of 4 in the Structure of Human Endothelial Nitric Oxide Synthase Heme Domain in Complex with 4-Methyl-6-(3-(Methylamino)Prop-1-Yn-1-Yl)Pyridin-2- Amine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Structure of Human Endothelial Nitric Oxide Synthase Heme Domain in Complex with 4-Methyl-6-(3-(Methylamino)Prop-1-Yn-1-Yl)Pyridin-2- Amine within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl507

b:48.6
occ:1.00
 OH D:TYR357 2.9 33.4 1.0
O D:HOH747 3.0 51.6 1.0
NE2 D:GLN247 3.2 37.0 1.0
O D:HOH615 3.2 28.9 1.0
ND2 D:ASN366 3.2 31.8 1.0
NH2 D:ARG250 3.7 48.6 1.0
CZ D:TYR357 3.8 27.7 1.0
CE1 D:TYR357 3.8 23.7 1.0
OH D:TYR331 3.8 38.4 1.0
OD1 D:ASN366 3.9 43.1 1.0
CG D:ASN366 4.0 34.0 1.0
CD D:GLN247 4.2 39.7 1.0
C10 D:K9C503 4.3 31.5 1.0
OE1 D:GLN247 4.3 38.6 1.0
NE1 D:TRP330 4.6 39.1 1.0
O D:HOH756 4.6 39.8 1.0
CZ2 D:TRP330 4.6 28.9 1.0
C09 D:K9C503 4.7 32.5 1.0
CZ D:ARG250 4.7 47.3 1.0
OE1 D:GLU361 4.8 29.8 1.0
CZ D:TYR331 4.9 34.5 1.0
CE2 D:TRP330 5.0 30.0 1.0

Reference:

D.Vasu, H.Li, C.D.Hardy, T.L.Poulos, R.B.Silverman. 2-Aminopyridines with A Shortened Amino Sidechain As Potent, Selective, and Highly Permeable Human Neuronal Nitric Oxide Synthase Inhibitors. Bioorg.Med.Chem. V. 69 16878 2022.
ISSN: ESSN 1464-3391
PubMed: 35772285
DOI: 10.1016/J.BMC.2022.116878
Page generated: Sun Jul 13 07:37:16 2025

Last articles

Fe in 2YXO
Fe in 2YRS
Fe in 2YXC
Fe in 2YNM
Fe in 2YVJ
Fe in 2YP1
Fe in 2YU2
Fe in 2YU1
Fe in 2YQB
Fe in 2YOO
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy