Atomistry » Zinc » PDB 6pne-6puy » 6poz
Atomistry »
  Zinc »
    PDB 6pne-6puy »
      6poz »

Zinc in PDB 6poz: Structure of Human Endothelial Nitric Oxide Synthase Heme Domain in Complex with 7-(3-(Aminomethyl)-4-Isopropoxyphenyl)-4-Methylquinolin- 2-Amine

Enzymatic activity of Structure of Human Endothelial Nitric Oxide Synthase Heme Domain in Complex with 7-(3-(Aminomethyl)-4-Isopropoxyphenyl)-4-Methylquinolin- 2-Amine

All present enzymatic activity of Structure of Human Endothelial Nitric Oxide Synthase Heme Domain in Complex with 7-(3-(Aminomethyl)-4-Isopropoxyphenyl)-4-Methylquinolin- 2-Amine:
1.14.13.39;

Protein crystallography data

The structure of Structure of Human Endothelial Nitric Oxide Synthase Heme Domain in Complex with 7-(3-(Aminomethyl)-4-Isopropoxyphenyl)-4-Methylquinolin- 2-Amine, PDB code: 6poz 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) 48.95 / 2.20
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 59.109, 153.259, 109.187, 90.00, 90.84, 90.00
R / Rfree (%) 19.1 / 25.1

Other elements in 6poz:

The structure of Structure of Human Endothelial Nitric Oxide Synthase Heme Domain in Complex with 7-(3-(Aminomethyl)-4-Isopropoxyphenyl)-4-Methylquinolin- 2-Amine also contains other interesting chemical elements:

Iron (Fe) 4 atoms
Gadolinium (Gd) 4 atoms
Chlorine (Cl) 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 7-(3-(Aminomethyl)-4-Isopropoxyphenyl)-4-Methylquinolin- 2-Amine (pdb code 6poz). 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 7-(3-(Aminomethyl)-4-Isopropoxyphenyl)-4-Methylquinolin- 2-Amine, PDB code: 6poz:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in 6poz

Go back to Zinc Binding Sites List in 6poz
Zinc binding site 1 out of 2 in the Structure of Human Endothelial Nitric Oxide Synthase Heme Domain in Complex with 7-(3-(Aminomethyl)-4-Isopropoxyphenyl)-4-Methylquinolin- 2-Amine


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 7-(3-(Aminomethyl)-4-Isopropoxyphenyl)-4-Methylquinolin- 2-Amine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn506

b:56.2
occ:1.00
 SG A:CYS99 2.3 47.3 1.0
SG A:CYS94 2.4 55.9 1.0
SG B:CYS94 2.4 50.6 1.0
SG B:CYS99 2.4 49.4 1.0
CB A:CYS99 3.2 42.2 1.0
CB B:CYS99 3.3 38.4 1.0
CB A:CYS94 3.4 47.1 1.0
CB B:CYS94 3.4 51.4 1.0
CA A:CYS99 3.7 48.7 1.0
CA B:CYS99 3.8 44.6 1.0
N A:GLY101 4.0 64.9 1.0
N A:LEU100 4.2 58.7 1.0
N B:GLY101 4.3 51.8 1.0
C A:CYS99 4.3 58.0 1.0
N B:LEU100 4.3 42.2 1.0
CA A:GLY101 4.4 67.7 1.0
C B:CYS99 4.5 43.5 1.0
CA B:GLY101 4.6 43.9 1.0
CA A:CYS94 4.8 56.8 1.0
CA B:CYS94 4.8 57.4 1.0
C A:LEU100 5.0 59.0 1.0

Zinc binding site 2 out of 2 in 6poz

Go back to Zinc Binding Sites List in 6poz
Zinc binding site 2 out of 2 in the Structure of Human Endothelial Nitric Oxide Synthase Heme Domain in Complex with 7-(3-(Aminomethyl)-4-Isopropoxyphenyl)-4-Methylquinolin- 2-Amine


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 7-(3-(Aminomethyl)-4-Isopropoxyphenyl)-4-Methylquinolin- 2-Amine within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Zn505

b:45.1
occ:1.00
 SG C:CYS99 2.3 42.2 1.0
SG C:CYS94 2.3 45.3 1.0
SG D:CYS99 2.4 41.4 1.0
SG D:CYS94 2.5 43.8 1.0
CB D:CYS99 3.1 40.7 1.0
CB C:CYS99 3.2 33.9 1.0
CB D:CYS94 3.4 44.3 1.0
CB C:CYS94 3.4 50.9 1.0
CA D:CYS99 3.7 53.8 1.0
CA C:CYS99 3.7 47.0 1.0
N C:GLY101 4.0 43.1 1.0
N D:LEU100 4.0 54.1 1.0
N D:GLY101 4.1 50.2 1.0
N C:LEU100 4.1 45.4 1.0
C D:CYS99 4.3 53.9 1.0
C C:CYS99 4.3 49.9 1.0
CA C:GLY101 4.4 48.7 1.0
CA D:GLY101 4.4 48.3 1.0
CA D:CYS94 4.8 56.7 1.0
CA C:CYS94 4.8 51.1 1.0
C D:LEU100 5.0 48.2 1.0
N D:CYS99 5.0 44.6 1.0
C C:LEU100 5.0 49.0 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 05:17:35 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