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Zinc in PDB 3nny: Structure of Rat Neuronal Nitric Oxide Synthase Heme Domain Complexed with 6-(((3R,4R)-4-(2-(3-Fluorophenethylamino)Ethoxy)Pyrrolidin-3- Yl)Methyl)Pyridin-2-Amine

Enzymatic activity of Structure of Rat Neuronal Nitric Oxide Synthase Heme Domain Complexed with 6-(((3R,4R)-4-(2-(3-Fluorophenethylamino)Ethoxy)Pyrrolidin-3- Yl)Methyl)Pyridin-2-Amine

All present enzymatic activity of Structure of Rat Neuronal Nitric Oxide Synthase Heme Domain Complexed with 6-(((3R,4R)-4-(2-(3-Fluorophenethylamino)Ethoxy)Pyrrolidin-3- Yl)Methyl)Pyridin-2-Amine:
1.14.13.39;

Protein crystallography data

The structure of Structure of Rat Neuronal Nitric Oxide Synthase Heme Domain Complexed with 6-(((3R,4R)-4-(2-(3-Fluorophenethylamino)Ethoxy)Pyrrolidin-3- Yl)Methyl)Pyridin-2-Amine, PDB code: 3nny 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) 38.22 / 2.10
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 52.310, 111.930, 164.570, 90.00, 90.00, 90.00
R / Rfree (%) 18.4 / 22.3

Other elements in 3nny:

The structure of Structure of Rat Neuronal Nitric Oxide Synthase Heme Domain Complexed with 6-(((3R,4R)-4-(2-(3-Fluorophenethylamino)Ethoxy)Pyrrolidin-3- Yl)Methyl)Pyridin-2-Amine also contains other interesting chemical elements:

Fluorine (F) 2 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 Complexed with 6-(((3R,4R)-4-(2-(3-Fluorophenethylamino)Ethoxy)Pyrrolidin-3- Yl)Methyl)Pyridin-2-Amine (pdb code 3nny). 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 Complexed with 6-(((3R,4R)-4-(2-(3-Fluorophenethylamino)Ethoxy)Pyrrolidin-3- Yl)Methyl)Pyridin-2-Amine, PDB code: 3nny:

Zinc binding site 1 out of 1 in 3nny

Go back to Zinc Binding Sites List in 3nny
Zinc binding site 1 out of 1 in the Structure of Rat Neuronal Nitric Oxide Synthase Heme Domain Complexed with 6-(((3R,4R)-4-(2-(3-Fluorophenethylamino)Ethoxy)Pyrrolidin-3- Yl)Methyl)Pyridin-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 Complexed with 6-(((3R,4R)-4-(2-(3-Fluorophenethylamino)Ethoxy)Pyrrolidin-3- Yl)Methyl)Pyridin-2-Amine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn900

b:40.8
occ:1.00
 SG A:CYS326 2.3 49.8 1.0
SG A:CYS331 2.3 39.9 1.0
SG B:CYS326 2.3 45.1 1.0
SG B:CYS331 2.4 43.4 1.0
CB B:CYS331 3.2 47.1 1.0
CB A:CYS331 3.2 43.7 1.0
CB A:CYS326 3.3 55.0 1.0
CA A:CYS331 3.5 46.4 1.0
CB B:CYS326 3.6 52.5 1.0
CA B:CYS331 3.6 47.4 1.0
N A:MET332 3.9 45.7 1.0
N B:MET332 4.0 46.0 1.0
N A:GLY333 4.1 43.1 1.0
C A:CYS331 4.1 45.7 1.0
C B:CYS331 4.2 46.5 1.0
N B:GLY333 4.3 42.9 1.0
CA A:GLY333 4.6 41.0 1.0
CA B:GLY333 4.7 40.7 1.0
CA A:CYS326 4.7 58.0 1.0
N A:CYS331 4.8 49.1 1.0
CA B:CYS326 4.9 54.0 1.0
C A:MET332 4.9 44.0 1.0
N B:CYS331 4.9 49.8 1.0
CA A:MET332 5.0 46.3 1.0

Reference:

F.Xue, H.Li, J.Fang, L.J.Roman, P.Martasek, T.L.Poulos, R.B.Silverman. Peripheral But Crucial: A Hydrophobic Pocket (Tyr(706), Leu(337), and Met(336)) For Potent and Selective Inhibition of Neuronal Nitric Oxide Synthase. Bioorg.Med.Chem.Lett. V. 20 6258 2010.
ISSN: ISSN 0960-894X
PubMed: 20833542
DOI: 10.1016/J.BMCL.2010.08.096
Page generated: Sat Oct 26 10:31:33 2024

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