Atomistry » Zinc » PDB 6pnh-6pv1 » 6pp2
Atomistry »
  Zinc »
    PDB 6pnh-6pv1 »
      6pp2 »

Zinc in PDB 6pp2: Structure of Human Endothelial Nitric Oxide Synthase Heme Domain in Complex with 4-((4-(2-Amino-4-Methylquinolin-7-Yl)-2-(Aminomethyl) Phenoxy)Methyl)Benzonitrile

Enzymatic activity of Structure of Human Endothelial Nitric Oxide Synthase Heme Domain in Complex with 4-((4-(2-Amino-4-Methylquinolin-7-Yl)-2-(Aminomethyl) Phenoxy)Methyl)Benzonitrile

All present enzymatic activity of Structure of Human Endothelial Nitric Oxide Synthase Heme Domain in Complex with 4-((4-(2-Amino-4-Methylquinolin-7-Yl)-2-(Aminomethyl) Phenoxy)Methyl)Benzonitrile:
1.14.13.39;

Protein crystallography data

The structure of Structure of Human Endothelial Nitric Oxide Synthase Heme Domain in Complex with 4-((4-(2-Amino-4-Methylquinolin-7-Yl)-2-(Aminomethyl) Phenoxy)Methyl)Benzonitrile, PDB code: 6pp2 was solved by G.Chreifi, H.Li, T.L.Poulos, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 89.23 / 2.02
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 60.539, 154.889, 109.180, 90.00, 90.80, 90.00
R / Rfree (%) 19.9 / 24.6

Other elements in 6pp2:

The structure of Structure of Human Endothelial Nitric Oxide Synthase Heme Domain in Complex with 4-((4-(2-Amino-4-Methylquinolin-7-Yl)-2-(Aminomethyl) Phenoxy)Methyl)Benzonitrile also contains other interesting chemical elements:

Chlorine (Cl) 4 atoms
Gadolinium (Gd) 2 atoms
Iron (Fe) 4 atoms

Zinc Binding Sites:

The binding sites of Zinc atom in the Structure of Human Endothelial Nitric Oxide Synthase Heme Domain in Complex with 4-((4-(2-Amino-4-Methylquinolin-7-Yl)-2-(Aminomethyl) Phenoxy)Methyl)Benzonitrile (pdb code 6pp2). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Structure of Human Endothelial Nitric Oxide Synthase Heme Domain in Complex with 4-((4-(2-Amino-4-Methylquinolin-7-Yl)-2-(Aminomethyl) Phenoxy)Methyl)Benzonitrile, PDB code: 6pp2:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in 6pp2

Go back to Zinc Binding Sites List in 6pp2
Zinc binding site 1 out of 2 in the Structure of Human Endothelial Nitric Oxide Synthase Heme Domain in Complex with 4-((4-(2-Amino-4-Methylquinolin-7-Yl)-2-(Aminomethyl) Phenoxy)Methyl)Benzonitrile


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Structure of Human Endothelial Nitric Oxide Synthase Heme Domain in Complex with 4-((4-(2-Amino-4-Methylquinolin-7-Yl)-2-(Aminomethyl) Phenoxy)Methyl)Benzonitrile within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn506

b:38.9
occ:1.00
 SG A:CYS94 2.4 40.4 1.0
SG B:CYS94 2.4 38.6 1.0
SG A:CYS99 2.4 36.0 1.0
SG B:CYS99 2.5 36.6 1.0
CB A:CYS99 3.2 30.1 1.0
CB B:CYS99 3.3 34.1 1.0
CB A:CYS94 3.3 39.6 1.0
CB B:CYS94 3.4 37.8 1.0
CA A:CYS99 3.7 35.3 1.0
CA B:CYS99 3.8 37.0 1.0
N A:GLY101 4.1 34.5 1.0
N B:GLY101 4.1 30.8 1.0
N B:LEU100 4.2 32.2 1.0
N A:LEU100 4.3 40.0 1.0
C A:CYS99 4.4 43.3 1.0
CA A:GLY101 4.4 38.5 1.0
C B:CYS99 4.4 39.1 1.0
CA B:GLY101 4.4 27.2 1.0
O B:HOH812 4.5 41.8 1.0
CA A:CYS94 4.7 46.8 1.0
CA B:CYS94 4.9 38.7 1.0

Zinc binding site 2 out of 2 in 6pp2

Go back to Zinc Binding Sites List in 6pp2
Zinc binding site 2 out of 2 in the Structure of Human Endothelial Nitric Oxide Synthase Heme Domain in Complex with 4-((4-(2-Amino-4-Methylquinolin-7-Yl)-2-(Aminomethyl) Phenoxy)Methyl)Benzonitrile


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Structure of Human Endothelial Nitric Oxide Synthase Heme Domain in Complex with 4-((4-(2-Amino-4-Methylquinolin-7-Yl)-2-(Aminomethyl) Phenoxy)Methyl)Benzonitrile within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Zn507

b:31.7
occ:1.00
 SG C:CYS94 2.3 33.4 1.0
SG C:CYS99 2.4 34.1 1.0
SG D:CYS99 2.4 33.0 1.0
SG D:CYS94 2.4 33.1 1.0
CB D:CYS99 3.2 25.9 1.0
CB C:CYS99 3.2 23.4 1.0
CB D:CYS94 3.5 31.1 1.0
CB C:CYS94 3.5 38.1 1.0
CA D:CYS99 3.7 36.2 1.0
CA C:CYS99 3.8 30.4 1.0
N C:GLY101 4.1 37.2 1.0
N D:GLY101 4.1 32.5 1.0
N D:LEU100 4.2 28.1 1.0
N C:LEU100 4.2 34.2 1.0
C D:CYS99 4.3 35.8 1.0
C C:CYS99 4.4 30.0 1.0
CA D:GLY101 4.4 35.0 1.0
CA C:GLY101 4.5 40.3 1.0
CA D:CYS94 4.8 34.7 1.0
CA C:CYS94 4.8 41.5 1.0

Reference:

M.A.Cinelli, C.T.Reidl, H.Li, G.Chreifi, T.L.Poulos, R.B.Silverman. First Contact: 7-Phenyl-2-Aminoquinolines, Potent and Selective Neuronal Nitric Oxide Synthase Inhibitors That Target An Isoform-Specific Aspartate. J.Med.Chem. 2020.
ISSN: ISSN 0022-2623
PubMed: 32302123
DOI: 10.1021/ACS.JMEDCHEM.9B01573
Page generated: Tue Oct 29 05:18:44 2024

Last articles

Zn in 9MJ5
Zn in 9HNW
Zn in 9G0L
Zn in 9FNE
Zn in 9DZN
Zn in 9E0I
Zn in 9D32
Zn in 9DAK
Zn in 8ZXC
Zn in 8ZUF
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy