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Zinc in PDB 3n2r: Structure of Neuronal Nitric Oxide Synthase Heme Domain in Complex with 6-(((3R,4R/3S,4S)-4-(3-Phenoxyphenoxy)Pyrrolidin-3-Yl)Methyl) Pyridin-2-Amine

Enzymatic activity of Structure of Neuronal Nitric Oxide Synthase Heme Domain in Complex with 6-(((3R,4R/3S,4S)-4-(3-Phenoxyphenoxy)Pyrrolidin-3-Yl)Methyl) Pyridin-2-Amine

All present enzymatic activity of Structure of Neuronal Nitric Oxide Synthase Heme Domain in Complex with 6-(((3R,4R/3S,4S)-4-(3-Phenoxyphenoxy)Pyrrolidin-3-Yl)Methyl) Pyridin-2-Amine:
1.14.13.39;

Protein crystallography data

The structure of Structure of Neuronal Nitric Oxide Synthase Heme Domain in Complex with 6-(((3R,4R/3S,4S)-4-(3-Phenoxyphenoxy)Pyrrolidin-3-Yl)Methyl) Pyridin-2-Amine, PDB code: 3n2r 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) 47.36 / 1.90
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 52.277, 111.563, 164.848, 90.00, 90.00, 90.00
R / Rfree (%) 18.2 / 21.5

Other elements in 3n2r:

The structure of Structure of Neuronal Nitric Oxide Synthase Heme Domain in Complex with 6-(((3R,4R/3S,4S)-4-(3-Phenoxyphenoxy)Pyrrolidin-3-Yl)Methyl) Pyridin-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 Neuronal Nitric Oxide Synthase Heme Domain in Complex with 6-(((3R,4R/3S,4S)-4-(3-Phenoxyphenoxy)Pyrrolidin-3-Yl)Methyl) Pyridin-2-Amine (pdb code 3n2r). 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 Neuronal Nitric Oxide Synthase Heme Domain in Complex with 6-(((3R,4R/3S,4S)-4-(3-Phenoxyphenoxy)Pyrrolidin-3-Yl)Methyl) Pyridin-2-Amine, PDB code: 3n2r:

Zinc binding site 1 out of 1 in 3n2r

Go back to Zinc Binding Sites List in 3n2r
Zinc binding site 1 out of 1 in the Structure of Neuronal Nitric Oxide Synthase Heme Domain in Complex with 6-(((3R,4R/3S,4S)-4-(3-Phenoxyphenoxy)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 Neuronal Nitric Oxide Synthase Heme Domain in Complex with 6-(((3R,4R/3S,4S)-4-(3-Phenoxyphenoxy)Pyrrolidin-3-Yl)Methyl) Pyridin-2-Amine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn900

b:33.0
occ:1.00
 SG A:CYS326 2.4 38.5 1.0
SG B:CYS326 2.4 34.2 1.0
SG A:CYS331 2.4 32.3 1.0
SG B:CYS331 2.4 32.4 1.0
CB A:CYS331 3.3 35.3 1.0
CB B:CYS331 3.3 34.7 1.0
CB A:CYS326 3.4 42.5 1.0
CB B:CYS326 3.4 39.9 1.0
CA A:CYS331 3.6 37.2 1.0
CA B:CYS331 3.6 34.9 1.0
N A:MET332 3.9 36.8 1.0
N A:GLY333 4.1 34.8 1.0
N B:MET332 4.1 33.2 1.0
C A:CYS331 4.1 37.0 1.0
N B:GLY333 4.2 31.5 1.0
C B:CYS331 4.3 34.0 1.0
CA A:GLY333 4.5 33.2 1.0
CA B:GLY333 4.6 30.5 1.0
CA A:CYS326 4.8 44.3 1.0
CA B:CYS326 4.8 41.2 1.0
O A:HOH1135 4.8 41.7 1.0
O B:HOH1295 4.8 48.2 1.0
N A:CYS331 4.9 39.8 1.0
C A:MET332 4.9 35.6 1.0
N B:CYS331 4.9 36.9 1.0
CA A:MET332 4.9 37.9 1.0

Reference:

F.Xue, J.Huang, H.Ji, J.Fang, H.Li, P.Martasek, L.J.Roman, T.L.Poulos, R.B.Silverman. Structure-Based Design, Synthesis, and Biological Evaluation of Lipophilic-Tailed Monocationic Inhibitors of Neuronal Nitric Oxide Synthase. Bioorg.Med.Chem. V. 18 6526 2010.
ISSN: ISSN 0968-0896
PubMed: 20673724
DOI: 10.1016/J.BMC.2010.06.074
Page generated: Sat Oct 26 09:55:37 2024

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