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Zinc in PDB 4jsi: Structure of Rat Neuronal Nitric Oxide Synthase Heme Domain in Complex with 6-((3-(((3-Fluorophenethyl)Amino)Methyl)Phenoxy)Methyl)-4- Methylpyridin-2-Amine

Enzymatic activity of Structure of Rat Neuronal Nitric Oxide Synthase Heme Domain in Complex with 6-((3-(((3-Fluorophenethyl)Amino)Methyl)Phenoxy)Methyl)-4- Methylpyridin-2-Amine

All present enzymatic activity of Structure of Rat Neuronal Nitric Oxide Synthase Heme Domain in Complex with 6-((3-(((3-Fluorophenethyl)Amino)Methyl)Phenoxy)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-((3-(((3-Fluorophenethyl)Amino)Methyl)Phenoxy)Methyl)-4- Methylpyridin-2-Amine, PDB code: 4jsi 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) 40.70 / 2.09
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 51.597, 110.778, 164.565, 90.00, 90.00, 90.00
R / Rfree (%) 19.3 / 24.1

Other elements in 4jsi:

The structure of Structure of Rat Neuronal Nitric Oxide Synthase Heme Domain in Complex with 6-((3-(((3-Fluorophenethyl)Amino)Methyl)Phenoxy)Methyl)-4- Methylpyridin-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 in Complex with 6-((3-(((3-Fluorophenethyl)Amino)Methyl)Phenoxy)Methyl)-4- Methylpyridin-2-Amine (pdb code 4jsi). 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-(((3-Fluorophenethyl)Amino)Methyl)Phenoxy)Methyl)-4- Methylpyridin-2-Amine, PDB code: 4jsi:

Zinc binding site 1 out of 1 in 4jsi

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

b:44.8
occ:1.00
 SG A:CYS331 2.3 41.5 1.0
SG B:CYS326 2.3 47.9 1.0
SG A:CYS326 2.4 51.4 1.0
SG B:CYS331 2.4 43.5 1.0
CB B:CYS331 3.3 46.0 1.0
CB A:CYS331 3.3 41.6 1.0
CB A:CYS326 3.5 53.3 1.0
CB B:CYS326 3.5 50.7 1.0
CA A:CYS331 3.6 45.2 1.0
CA B:CYS331 3.6 49.2 1.0
N A:MET332 3.8 44.6 1.0
N B:MET332 4.0 49.3 1.0
N A:GLY333 4.1 42.6 1.0
C A:CYS331 4.1 44.5 1.0
N B:GLY333 4.2 43.9 1.0
C B:CYS331 4.2 48.1 1.0
CA B:GLY333 4.5 43.0 1.0
CA A:GLY333 4.6 42.3 1.0
CA A:CYS326 4.8 56.7 1.0
CA B:CYS326 4.9 53.8 1.0
N A:CYS331 4.9 48.9 1.0
C A:MET332 4.9 44.3 1.0
N B:CYS331 4.9 52.1 1.0
CA A:MET332 5.0 46.4 1.0

Reference:

Q.Jing, H.Li, J.Fang, L.J.Roman, P.Martasek, T.L.Poulos, R.B.Silverman. In Search of Potent and Selective Inhibitors of Neuronal Nitric Oxide Synthase with More Simple Structures. Bioorg.Med.Chem. V. 21 5323 2013.
ISSN: ISSN 0968-0896
PubMed: 23867386
DOI: 10.1016/J.BMC.2013.06.014
Page generated: Sun Oct 27 01:28:56 2024

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