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Zinc in PDB 5g0n: Structure of Rat Neuronal Nitric Oxide Synthase D597N Mutant Heme Domain in Complex with N1-(5-(2-(6-Amino-4- Methylpyridin-2-Yl)Ethyl)Pyridin-3-Yl)-N1,N2- Dimethylethane-1,2-Diamine

Enzymatic activity of Structure of Rat Neuronal Nitric Oxide Synthase D597N Mutant Heme Domain in Complex with N1-(5-(2-(6-Amino-4- Methylpyridin-2-Yl)Ethyl)Pyridin-3-Yl)-N1,N2- Dimethylethane-1,2-Diamine

All present enzymatic activity of Structure of Rat Neuronal Nitric Oxide Synthase D597N Mutant Heme Domain in Complex with N1-(5-(2-(6-Amino-4- Methylpyridin-2-Yl)Ethyl)Pyridin-3-Yl)-N1,N2- Dimethylethane-1,2-Diamine:
1.14.13.39;

Protein crystallography data

The structure of Structure of Rat Neuronal Nitric Oxide Synthase D597N Mutant Heme Domain in Complex with N1-(5-(2-(6-Amino-4- Methylpyridin-2-Yl)Ethyl)Pyridin-3-Yl)-N1,N2- Dimethylethane-1,2-Diamine, PDB code: 5g0n 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) 38.828 / 1.94
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 51.779, 110.201, 164.168, 90.00, 90.00, 90.00
R / Rfree (%) 17.53 / 21.57

Other elements in 5g0n:

The structure of Structure of Rat Neuronal Nitric Oxide Synthase D597N Mutant Heme Domain in Complex with N1-(5-(2-(6-Amino-4- Methylpyridin-2-Yl)Ethyl)Pyridin-3-Yl)-N1,N2- Dimethylethane-1,2-Diamine 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 D597N Mutant Heme Domain in Complex with N1-(5-(2-(6-Amino-4- Methylpyridin-2-Yl)Ethyl)Pyridin-3-Yl)-N1,N2- Dimethylethane-1,2-Diamine (pdb code 5g0n). 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 D597N Mutant Heme Domain in Complex with N1-(5-(2-(6-Amino-4- Methylpyridin-2-Yl)Ethyl)Pyridin-3-Yl)-N1,N2- Dimethylethane-1,2-Diamine, PDB code: 5g0n:

Zinc binding site 1 out of 1 in 5g0n

Go back to Zinc Binding Sites List in 5g0n
Zinc binding site 1 out of 1 in the Structure of Rat Neuronal Nitric Oxide Synthase D597N Mutant Heme Domain in Complex with N1-(5-(2-(6-Amino-4- Methylpyridin-2-Yl)Ethyl)Pyridin-3-Yl)-N1,N2- Dimethylethane-1,2-Diamine


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 D597N Mutant Heme Domain in Complex with N1-(5-(2-(6-Amino-4- Methylpyridin-2-Yl)Ethyl)Pyridin-3-Yl)-N1,N2- Dimethylethane-1,2-Diamine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn900

b:30.8
occ:1.00
 SG A:CYS326 2.3 38.0 1.0
SG B:CYS326 2.3 30.1 1.0
SG A:CYS331 2.4 30.7 1.0
SG B:CYS331 2.4 32.2 1.0
CB A:CYS331 3.2 24.4 1.0
CB B:CYS331 3.3 36.3 1.0
CB A:CYS326 3.4 36.5 1.0
CB B:CYS326 3.4 29.8 1.0
CA A:CYS331 3.6 34.2 1.0
CA B:CYS331 3.6 27.9 1.0
N A:MET332 4.0 33.8 1.0
N B:MET332 4.0 29.0 1.0
N B:GLY333 4.1 31.3 1.0
N A:GLY333 4.1 33.4 1.0
C A:CYS331 4.2 35.4 1.0
C B:CYS331 4.2 30.5 1.0
CA B:GLY333 4.5 27.8 1.0
CA A:GLY333 4.5 32.6 1.0
O B:HOH2013 4.6 43.8 1.0
CA A:CYS326 4.7 42.9 1.0
CA B:CYS326 4.8 34.0 1.0
N A:CYS331 4.8 35.9 1.0
N B:CYS331 4.8 29.4 1.0
C B:MET332 4.9 34.2 1.0
C A:MET332 5.0 30.9 1.0
O B:ILE330 5.0 40.0 1.0

Reference:

H.Li, H.Wang, S.Kang, R.B.Silverman, T.L.Poulos. Electrostatic Control of Isoform Selective Inhibitor Binding in Nitric Oxide Synthase. Biochemistry V. 55 3702 2016.
ISSN: ISSN 0006-2960
PubMed: 27250740
DOI: 10.1021/ACS.BIOCHEM.6B00261
Page generated: Sun Oct 27 16:50:29 2024

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