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Zinc in PDB 6pnd: Structure of Human Neuronal Nitric Oxide Synthase R354A/G357D Mutant Heme Domain in Complex with 7-(3-(2-Aminoethyl)Phenyl)-4- Methylquinolin-2-Amine

Enzymatic activity of Structure of Human Neuronal Nitric Oxide Synthase R354A/G357D Mutant Heme Domain in Complex with 7-(3-(2-Aminoethyl)Phenyl)-4- Methylquinolin-2-Amine

All present enzymatic activity of Structure of Human Neuronal Nitric Oxide Synthase R354A/G357D Mutant Heme Domain in Complex with 7-(3-(2-Aminoethyl)Phenyl)-4- Methylquinolin-2-Amine:
1.14.13.39;

Protein crystallography data

The structure of Structure of Human Neuronal Nitric Oxide Synthase R354A/G357D Mutant Heme Domain in Complex with 7-(3-(2-Aminoethyl)Phenyl)-4- Methylquinolin-2-Amine, PDB code: 6pnd 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) 39.15 / 2.40
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 52.234, 122.302, 165.291, 90.00, 90.00, 90.00
R / Rfree (%) 18.7 / 24.9

Other elements in 6pnd:

The structure of Structure of Human Neuronal Nitric Oxide Synthase R354A/G357D Mutant Heme Domain in Complex with 7-(3-(2-Aminoethyl)Phenyl)-4- Methylquinolin-2-Amine also contains other interesting chemical elements:

Iron (Fe) 2 atoms

Zinc Binding Sites:

The binding sites of Zinc atom in the Structure of Human Neuronal Nitric Oxide Synthase R354A/G357D Mutant Heme Domain in Complex with 7-(3-(2-Aminoethyl)Phenyl)-4- Methylquinolin-2-Amine (pdb code 6pnd). 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 Human Neuronal Nitric Oxide Synthase R354A/G357D Mutant Heme Domain in Complex with 7-(3-(2-Aminoethyl)Phenyl)-4- Methylquinolin-2-Amine, PDB code: 6pnd:

Zinc binding site 1 out of 1 in 6pnd

Go back to Zinc Binding Sites List in 6pnd
Zinc binding site 1 out of 1 in the Structure of Human Neuronal Nitric Oxide Synthase R354A/G357D Mutant Heme Domain in Complex with 7-(3-(2-Aminoethyl)Phenyl)-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 Neuronal Nitric Oxide Synthase R354A/G357D Mutant Heme Domain in Complex with 7-(3-(2-Aminoethyl)Phenyl)-4- Methylquinolin-2-Amine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn804

b:50.3
occ:1.00
 SG A:CYS331 2.3 52.1 1.0
SG B:CYS331 2.3 40.7 1.0
SG B:CYS336 2.4 46.3 1.0
SG A:CYS336 2.4 52.6 1.0
CB A:CYS336 3.2 46.6 1.0
CB B:CYS336 3.2 35.7 1.0
CB A:CYS331 3.5 49.0 1.0
CB B:CYS331 3.6 41.3 1.0
CA B:CYS336 3.6 40.7 1.0
CA A:CYS336 3.7 47.7 1.0
N B:MET337 4.0 55.5 1.0
N A:GLY338 4.1 51.3 1.0
N A:MET337 4.1 54.7 1.0
C A:CYS336 4.2 45.1 1.0
C B:CYS336 4.3 52.6 1.0
N B:GLY338 4.3 41.5 1.0
CA A:GLY338 4.5 46.7 1.0
CA B:GLY338 4.7 40.1 1.0
CA A:CYS331 4.8 48.9 1.0
O A:ILE335 4.9 53.8 1.0
N B:CYS336 4.9 41.0 1.0
O B:ILE335 4.9 59.2 1.0
N A:CYS336 4.9 47.6 1.0
CA B:CYS331 4.9 52.7 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 05:15:19 2024

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