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Zinc in PDB 3tyn: Structure of Neuronal Nitric Oxide Synthase Heme Domain in Complex with 2-(((2-(((3S,4S)-4-((6-Amino-4-Methylpyridin-2-Yl)Methyl) Pyrrolidin-3-Yl)Oxy)Ethyl)Amino)Methyl)Phenol

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

All present enzymatic activity of Structure of Neuronal Nitric Oxide Synthase Heme Domain in Complex with 2-(((2-(((3S,4S)-4-((6-Amino-4-Methylpyridin-2-Yl)Methyl) Pyrrolidin-3-Yl)Oxy)Ethyl)Amino)Methyl)Phenol:
1.14.13.39;

Protein crystallography data

The structure of Structure of Neuronal Nitric Oxide Synthase Heme Domain in Complex with 2-(((2-(((3S,4S)-4-((6-Amino-4-Methylpyridin-2-Yl)Methyl) Pyrrolidin-3-Yl)Oxy)Ethyl)Amino)Methyl)Phenol, PDB code: 3tyn 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) 38.64 / 1.97
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 51.758, 110.787, 164.226, 90.00, 90.00, 90.00
R / Rfree (%) 18.5 / 22.3

Other elements in 3tyn:

The structure of Structure of Neuronal Nitric Oxide Synthase Heme Domain in Complex with 2-(((2-(((3S,4S)-4-((6-Amino-4-Methylpyridin-2-Yl)Methyl) Pyrrolidin-3-Yl)Oxy)Ethyl)Amino)Methyl)Phenol 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 2-(((2-(((3S,4S)-4-((6-Amino-4-Methylpyridin-2-Yl)Methyl) Pyrrolidin-3-Yl)Oxy)Ethyl)Amino)Methyl)Phenol (pdb code 3tyn). 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 2-(((2-(((3S,4S)-4-((6-Amino-4-Methylpyridin-2-Yl)Methyl) Pyrrolidin-3-Yl)Oxy)Ethyl)Amino)Methyl)Phenol, PDB code: 3tyn:

Zinc binding site 1 out of 1 in 3tyn

Go back to Zinc Binding Sites List in 3tyn
Zinc binding site 1 out of 1 in the Structure of Neuronal Nitric Oxide Synthase Heme Domain in Complex with 2-(((2-(((3S,4S)-4-((6-Amino-4-Methylpyridin-2-Yl)Methyl) Pyrrolidin-3-Yl)Oxy)Ethyl)Amino)Methyl)Phenol


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 2-(((2-(((3S,4S)-4-((6-Amino-4-Methylpyridin-2-Yl)Methyl) Pyrrolidin-3-Yl)Oxy)Ethyl)Amino)Methyl)Phenol within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn900

b:38.6
occ:1.00
 SG A:CYS326 2.4 48.5 1.0
SG B:CYS326 2.4 43.6 1.0
SG A:CYS331 2.4 40.6 1.0
SG B:CYS331 2.4 42.4 1.0
CB B:CYS331 3.2 45.1 1.0
CB A:CYS331 3.3 42.5 1.0
CB A:CYS326 3.4 52.0 1.0
CB B:CYS326 3.5 49.9 1.0
CA A:CYS331 3.6 45.0 1.0
CA B:CYS331 3.6 45.5 1.0
N A:MET332 4.0 44.0 1.0
N B:MET332 4.0 43.4 1.0
N A:GLY333 4.1 41.7 1.0
N B:GLY333 4.1 40.8 1.0
C A:CYS331 4.2 43.9 1.0
C B:CYS331 4.2 44.4 1.0
CA A:GLY333 4.5 39.5 1.0
CA B:GLY333 4.6 40.2 1.0
CA A:CYS326 4.7 54.4 1.0
CA B:CYS326 4.8 51.1 1.0
N A:CYS331 4.9 47.7 1.0
C A:MET332 4.9 42.4 1.0
N B:CYS331 4.9 47.6 1.0
C B:MET332 5.0 41.9 1.0
O B:ILE330 5.0 49.9 1.0

Reference:

K.J.Labby, F.Xue, J.M.Kraus, H.Ji, J.Mataka, H.Li, P.Martasek, L.J.Roman, T.L.Poulos, R.B.Silverman. Intramolecular Hydrogen Bonding: A Potential Strategy For More Bioavailable Inhibitors of Neuronal Nitric Oxide Synthase. Bioorg.Med.Chem. V. 20 2435 2012.
ISSN: ISSN 0968-0896
PubMed: 22370337
DOI: 10.1016/J.BMC.2012.01.037
Page generated: Sat Oct 26 16:49:57 2024

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