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Zinc in PDB 4lux: Structure of Rat Neuronal Nitric Oxide Synthase Heme Domain in Complex with 6-((((3R,5S)-5-(((6-Amino-4-Methylpyridin-2-Yl)Methoxy)Methyl) Pyrrolidin-3-Yl)Oxy)Methyl)-4-Methylpyridin-2-Amine

Enzymatic activity of Structure of Rat Neuronal Nitric Oxide Synthase Heme Domain in Complex with 6-((((3R,5S)-5-(((6-Amino-4-Methylpyridin-2-Yl)Methoxy)Methyl) Pyrrolidin-3-Yl)Oxy)Methyl)-4-Methylpyridin-2-Amine

All present enzymatic activity of Structure of Rat Neuronal Nitric Oxide Synthase Heme Domain in Complex with 6-((((3R,5S)-5-(((6-Amino-4-Methylpyridin-2-Yl)Methoxy)Methyl) Pyrrolidin-3-Yl)Oxy)Methyl)-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-((((3R,5S)-5-(((6-Amino-4-Methylpyridin-2-Yl)Methoxy)Methyl) Pyrrolidin-3-Yl)Oxy)Methyl)-4-Methylpyridin-2-Amine, PDB code: 4lux 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) 39.01 / 1.86
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 51.839, 110.887, 164.681, 90.00, 90.00, 90.00
R / Rfree (%) 18 / 21.2

Other elements in 4lux:

The structure of Structure of Rat Neuronal Nitric Oxide Synthase Heme Domain in Complex with 6-((((3R,5S)-5-(((6-Amino-4-Methylpyridin-2-Yl)Methoxy)Methyl) Pyrrolidin-3-Yl)Oxy)Methyl)-4-Methylpyridin-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 Rat Neuronal Nitric Oxide Synthase Heme Domain in Complex with 6-((((3R,5S)-5-(((6-Amino-4-Methylpyridin-2-Yl)Methoxy)Methyl) Pyrrolidin-3-Yl)Oxy)Methyl)-4-Methylpyridin-2-Amine (pdb code 4lux). 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-((((3R,5S)-5-(((6-Amino-4-Methylpyridin-2-Yl)Methoxy)Methyl) Pyrrolidin-3-Yl)Oxy)Methyl)-4-Methylpyridin-2-Amine, PDB code: 4lux:

Zinc binding site 1 out of 1 in 4lux

Go back to Zinc Binding Sites List in 4lux
Zinc binding site 1 out of 1 in the Structure of Rat Neuronal Nitric Oxide Synthase Heme Domain in Complex with 6-((((3R,5S)-5-(((6-Amino-4-Methylpyridin-2-Yl)Methoxy)Methyl) Pyrrolidin-3-Yl)Oxy)Methyl)-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-((((3R,5S)-5-(((6-Amino-4-Methylpyridin-2-Yl)Methoxy)Methyl) Pyrrolidin-3-Yl)Oxy)Methyl)-4-Methylpyridin-2-Amine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn805

b:31.4
occ:1.00
 SG A:CYS326 2.3 37.4 1.0
SG A:CYS331 2.4 32.5 1.0
SG B:CYS331 2.4 33.3 1.0
SG B:CYS326 2.4 35.5 1.0
CB B:CYS331 3.3 35.8 1.0
CB A:CYS331 3.3 34.4 1.0
CB A:CYS326 3.4 40.9 1.0
CB B:CYS326 3.4 40.1 1.0
CA B:CYS331 3.6 35.6 1.0
CA A:CYS331 3.6 36.1 1.0
N A:MET332 4.0 34.8 1.0
N B:MET332 4.0 34.1 1.0
N A:GLY333 4.1 32.0 1.0
N B:GLY333 4.2 31.9 1.0
C A:CYS331 4.2 35.2 1.0
C B:CYS331 4.3 35.0 1.0
CA A:GLY333 4.5 30.5 1.0
CA B:GLY333 4.6 31.4 1.0
CA A:CYS326 4.7 42.5 1.0
CA B:CYS326 4.7 41.0 1.0
N B:CYS331 4.8 37.9 1.0
N A:CYS331 4.9 38.2 1.0
O A:HOH1055 4.9 34.0 1.0
C A:MET332 5.0 33.3 1.0

Reference:

J.K.Holden, H.Li, Q.Jing, S.Kang, J.Richo, R.B.Silverman, T.L.Poulos. Structural and Biological Studies on Bacterial Nitric Oxide Synthase Inhibitors. Proc.Natl.Acad.Sci.Usa V. 110 18127 2013.
ISSN: ISSN 0027-8424
PubMed: 24145412
DOI: 10.1073/PNAS.1314080110
Page generated: Wed Dec 16 05:33:46 2020

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