Zinc in PDB 7tsf: Structure of Rat Neuronal Nitric Oxide Synthase Heme Domain in Complex with 6-(3-(4,4-Difluoropiperidin-1-Yl)Prop-1-Yn-1-Yl)-4- Methylpyridin-2-Amine

Enzymatic activity of Structure of Rat Neuronal Nitric Oxide Synthase Heme Domain in Complex with 6-(3-(4,4-Difluoropiperidin-1-Yl)Prop-1-Yn-1-Yl)-4- Methylpyridin-2-Amine

All present enzymatic activity of Structure of Rat Neuronal Nitric Oxide Synthase Heme Domain in Complex with 6-(3-(4,4-Difluoropiperidin-1-Yl)Prop-1-Yn-1-Yl)-4- Methylpyridin-2-Amine:
1.14.13.39;

Protein crystallography data

The structure of Structure of Rat Neuronal Nitric Oxide Synthase Heme Domain in Complex with 6-(3-(4,4-Difluoropiperidin-1-Yl)Prop-1-Yn-1-Yl)-4- Methylpyridin-2-Amine, PDB code: 7tsf 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) 39.07 / 1.78
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 52.072, 110.957, 164.982, 90, 90, 90
R / Rfree (%) 18.1 / 21.5

Other elements in 7tsf:

The structure of Structure of Rat Neuronal Nitric Oxide Synthase Heme Domain in Complex with 6-(3-(4,4-Difluoropiperidin-1-Yl)Prop-1-Yn-1-Yl)-4- Methylpyridin-2-Amine also contains other interesting chemical elements:

Fluorine (F) 4 atoms
Iron (Fe) 2 atoms

Zinc Binding Sites:

The binding sites of Zinc atom in the Structure of Rat Neuronal Nitric Oxide Synthase Heme Domain in Complex with 6-(3-(4,4-Difluoropiperidin-1-Yl)Prop-1-Yn-1-Yl)-4- Methylpyridin-2-Amine (pdb code 7tsf). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total only one binding site of Zinc was determined in the Structure of Rat Neuronal Nitric Oxide Synthase Heme Domain in Complex with 6-(3-(4,4-Difluoropiperidin-1-Yl)Prop-1-Yn-1-Yl)-4- Methylpyridin-2-Amine, PDB code: 7tsf:

Zinc binding site 1 out of 1 in 7tsf

Go back to Zinc Binding Sites List in 7tsf
Zinc binding site 1 out of 1 in the Structure of Rat Neuronal Nitric Oxide Synthase Heme Domain in Complex with 6-(3-(4,4-Difluoropiperidin-1-Yl)Prop-1-Yn-1-Yl)-4- Methylpyridin-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 Rat Neuronal Nitric Oxide Synthase Heme Domain in Complex with 6-(3-(4,4-Difluoropiperidin-1-Yl)Prop-1-Yn-1-Yl)-4- Methylpyridin-2-Amine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn805

b:44.1
occ:1.00
 SG B:CYS326 2.4 46.8 1.0
SG A:CYS331 2.4 48.3 1.0
SG A:CYS326 2.4 51.5 1.0
SG B:CYS331 2.4 47.8 1.0
CB B:CYS331 3.3 50.8 1.0
CB A:CYS331 3.3 52.8 1.0
CB A:CYS326 3.4 50.2 1.0
CB B:CYS326 3.5 49.4 1.0
CA A:CYS331 3.6 57.8 1.0
CA B:CYS331 3.6 50.5 1.0
N A:MET332 4.0 51.5 1.0
N B:MET332 4.1 48.6 1.0
N A:GLY333 4.1 45.7 1.0
C A:CYS331 4.2 57.4 1.0
C B:CYS331 4.2 52.5 1.0
N B:GLY333 4.2 47.6 1.0
CA A:GLY333 4.5 48.5 1.0
CA B:GLY333 4.6 49.3 1.0
CA A:CYS326 4.8 60.5 1.0
CA B:CYS326 4.8 59.1 1.0
N A:CYS331 4.9 60.3 1.0
N B:CYS331 4.9 47.9 1.0
C A:MET332 4.9 47.6 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: Wed Oct 30 11:45:25 2024

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