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

Chlorine in PDB 7tsh: Structure of Human Endothelial Nitric Oxide Synthase Heme Domain in Complex with 4-Methyl-6-(3-(Methylamino)Propyl)Pyridin-2-Amine

Enzymatic activity of Structure of Human Endothelial Nitric Oxide Synthase Heme Domain in Complex with 4-Methyl-6-(3-(Methylamino)Propyl)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)Propyl)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)Propyl)Pyridin-2-Amine, PDB code: 7tsh 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) 39.11 / 2.15
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 59.798, 152.74, 108.589, 90, 90.72, 90
R / Rfree (%) 21.4 / 27

Other elements in 7tsh:

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

Zinc (Zn) 2 atoms
Iron (Fe) 4 atoms
Gadolinium (Gd) 4 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)Propyl)Pyridin-2-Amine (pdb code 7tsh). 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)Propyl)Pyridin-2-Amine, PDB code: 7tsh:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 7tsh

Go back to Chlorine Binding Sites List in 7tsh
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)Propyl)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)Propyl)Pyridin-2-Amine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl509

b:62.5
occ:1.00
 OH A:TYR357 3.0 41.4 1.0
ND2 A:ASN366 3.1 43.0 1.0
O A:HOH633 3.2 48.7 1.0
NE2 A:GLN247 3.5 60.5 1.0
CE1 A:TYR357 3.5 50.5 1.0
CZ A:TYR357 3.7 47.9 1.0
OD1 A:ASN366 3.8 45.3 1.0
OH A:TYR331 3.8 52.8 1.0
CG A:ASN366 3.9 52.5 1.0
OE1 A:GLN247 4.1 55.4 1.0
C10 A:KKU503 4.1 57.3 1.0
C09 A:KKU503 4.2 64.0 1.0
CD A:GLN247 4.2 61.2 1.0
N11 A:KKU503 4.3 59.7 1.0
NH2 A:ARG250 4.3 79.5 1.0
C12 A:KKU503 4.4 51.6 1.0
NE1 A:TRP330 4.5 52.6 1.0
CZ2 A:TRP330 4.5 41.7 1.0
OE1 A:GLU361 4.8 68.9 1.0
CD1 A:TYR357 4.8 49.3 1.0
CZ A:TYR331 4.8 61.1 1.0
CE2 A:TRP330 4.8 41.3 1.0
CZ A:ARG250 4.9 86.1 1.0
NH1 A:ARG250 5.0 85.2 1.0

Chlorine binding site 2 out of 4 in 7tsh

Go back to Chlorine Binding Sites List in 7tsh
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)Propyl)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)Propyl)Pyridin-2-Amine within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl507

b:42.9
occ:1.00
 O B:HOH676 2.9 42.9 1.0
OH B:TYR357 2.9 32.0 1.0
O B:HOH623 2.9 33.6 1.0
NE2 B:GLN247 3.2 29.4 1.0
ND2 B:ASN366 3.2 30.6 1.0
CE1 B:TYR357 3.5 36.3 1.0
CZ B:TYR357 3.6 36.5 1.0
C10 B:KKU503 3.6 44.6 1.0
C09 B:KKU503 3.9 44.5 1.0
OH B:TYR331 3.9 35.9 1.0
OD1 B:ASN366 4.1 41.2 1.0
CG B:ASN366 4.1 37.7 1.0
OE1 B:GLN247 4.1 33.2 1.0
CD B:GLN247 4.1 38.3 1.0
NH1 B:ARG250 4.2 62.7 1.0
CZ2 B:TRP330 4.6 34.3 1.0
O B:HOH715 4.6 34.9 1.0
OE1 B:GLU361 4.7 45.6 1.0
NE1 B:TRP330 4.7 28.8 1.0
CD1 B:TYR357 4.8 31.1 1.0
N11 B:KKU503 4.9 54.4 1.0
C08 B:KKU503 5.0 41.4 1.0
CE2 B:TYR357 5.0 37.9 1.0
CZ B:TYR331 5.0 37.2 1.0
CB B:GLU361 5.0 37.1 1.0

Chlorine binding site 3 out of 4 in 7tsh

Go back to Chlorine Binding Sites List in 7tsh
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)Propyl)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)Propyl)Pyridin-2-Amine within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl509

b:49.7
occ:1.00
 ND2 C:ASN366 3.3 37.9 1.0
OH C:TYR357 3.3 40.8 1.0
NE2 C:GLN247 3.5 69.9 1.0
C09 C:KKU503 3.7 57.0 1.0
CE1 C:TYR357 3.7 44.4 1.0
C10 C:KKU503 3.9 67.1 1.0
OD1 C:ASN366 4.0 38.1 1.0
CZ C:TYR357 4.0 44.1 1.0
CG C:ASN366 4.1 47.5 1.0
OH C:TYR331 4.3 55.5 1.0
NH2 C:ARG250 4.4 80.7 1.0
CD C:GLN247 4.4 62.3 1.0
OE1 C:GLN247 4.4 57.1 1.0
N11 C:KKU503 4.5 85.7 1.0
C08 C:KKU503 4.7 52.3 1.0
OE1 C:GLU361 4.7 46.7 1.0
CD1 C:TYR357 4.9 42.2 1.0

Chlorine binding site 4 out of 4 in 7tsh

Go back to Chlorine Binding Sites List in 7tsh
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)Propyl)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)Propyl)Pyridin-2-Amine within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl508

b:42.5
occ:1.00
 O D:HOH634 2.8 27.6 1.0
OH D:TYR357 2.9 31.1 1.0
NE2 D:GLN247 3.1 27.6 1.0
O D:HOH686 3.1 46.8 1.0
ND2 D:ASN366 3.4 29.6 1.0
NH2 D:ARG250 3.6 47.2 1.0
C10 D:KKU503 3.7 52.9 1.0
CE1 D:TYR357 3.7 26.3 1.0
CZ D:TYR357 3.8 29.1 1.0
C09 D:KKU503 3.8 52.7 1.0
OH D:TYR331 3.9 43.1 1.0
OD1 D:ASN366 4.0 45.7 1.0
CD D:GLN247 4.1 38.1 1.0
CG D:ASN366 4.1 37.8 1.0
OE1 D:GLN247 4.2 46.5 1.0
CZ2 D:TRP330 4.7 29.2 1.0
CZ D:ARG250 4.7 44.4 1.0
NE1 D:TRP330 4.7 35.9 1.0
OE1 D:GLU361 4.9 36.9 1.0
CZ D:TYR331 4.9 38.8 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 07:36:04 2025

Last articles

Fe in 2FLQ
Fe in 2FKZ
Fe in 2FJE
Fe in 2FJD
Fe in 2FJB
Fe in 2FJA
Fe in 2FJC
Fe in 2FGO
Fe in 2FIY
Fe in 2FFN
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy