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Zinc in PDB 5g0o: Structure of Rat Neuronal Nitric Oxide Synthase D597N Mutant Heme Domain in Complex with 4-Methyl-6-(2-(5-(4- Methylpiperazin-1-Yl)Pyridin-3-Yl)Ethyl)Pyridin-2-Amine

Enzymatic activity of Structure of Rat Neuronal Nitric Oxide Synthase D597N Mutant Heme Domain in Complex with 4-Methyl-6-(2-(5-(4- Methylpiperazin-1-Yl)Pyridin-3-Yl)Ethyl)Pyridin-2-Amine

All present enzymatic activity of Structure of Rat Neuronal Nitric Oxide Synthase D597N Mutant Heme Domain in Complex with 4-Methyl-6-(2-(5-(4- Methylpiperazin-1-Yl)Pyridin-3-Yl)Ethyl)Pyridin-2-Amine:
1.14.13.39;

Protein crystallography data

The structure of Structure of Rat Neuronal Nitric Oxide Synthase D597N Mutant Heme Domain in Complex with 4-Methyl-6-(2-(5-(4- Methylpiperazin-1-Yl)Pyridin-3-Yl)Ethyl)Pyridin-2-Amine, PDB code: 5g0o 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) 49.312 / 1.85
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 51.700, 110.710, 164.170, 90.00, 90.00, 90.00
R / Rfree (%) 19.31 / 23.29

Other elements in 5g0o:

The structure of Structure of Rat Neuronal Nitric Oxide Synthase D597N Mutant Heme Domain in Complex with 4-Methyl-6-(2-(5-(4- Methylpiperazin-1-Yl)Pyridin-3-Yl)Ethyl)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 Rat Neuronal Nitric Oxide Synthase D597N Mutant Heme Domain in Complex with 4-Methyl-6-(2-(5-(4- Methylpiperazin-1-Yl)Pyridin-3-Yl)Ethyl)Pyridin-2-Amine (pdb code 5g0o). 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 4-Methyl-6-(2-(5-(4- Methylpiperazin-1-Yl)Pyridin-3-Yl)Ethyl)Pyridin-2-Amine, PDB code: 5g0o:

Zinc binding site 1 out of 1 in 5g0o

Go back to Zinc Binding Sites List in 5g0o
Zinc binding site 1 out of 1 in the Structure of Rat Neuronal Nitric Oxide Synthase D597N Mutant Heme Domain in Complex with 4-Methyl-6-(2-(5-(4- Methylpiperazin-1-Yl)Pyridin-3-Yl)Ethyl)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 Rat Neuronal Nitric Oxide Synthase D597N Mutant Heme Domain in Complex with 4-Methyl-6-(2-(5-(4- Methylpiperazin-1-Yl)Pyridin-3-Yl)Ethyl)Pyridin-2-Amine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn900

b:25.9
occ:1.00
 SG A:CYS331 2.4 28.1 1.0
SG A:CYS326 2.4 33.5 1.0
SG B:CYS331 2.4 30.3 1.0
SG B:CYS326 2.4 29.4 1.0
CB A:CYS331 3.2 29.7 1.0
CB B:CYS331 3.2 40.1 1.0
CB A:CYS326 3.4 32.0 1.0
CB B:CYS326 3.4 34.2 1.0
CA B:CYS331 3.6 35.2 1.0
CA A:CYS331 3.6 36.7 1.0
N B:MET332 4.0 27.1 1.0
N A:MET332 4.0 32.5 1.0
N A:GLY333 4.2 30.3 1.0
N B:GLY333 4.2 32.6 1.0
C B:CYS331 4.2 35.2 1.0
C A:CYS331 4.2 38.3 1.0
O B:HOH2013 4.5 44.5 1.0
CA A:GLY333 4.6 32.3 1.0
CA B:GLY333 4.6 29.3 1.0
O A:HOH2011 4.6 40.4 1.0
CA A:CYS326 4.7 42.0 1.0
CA B:CYS326 4.8 33.5 1.0
N B:CYS331 4.8 31.6 1.0
N A:CYS331 4.9 41.4 1.0
C A:MET332 4.9 28.8 1.0
C B:MET332 5.0 32.8 1.0
O B:ILE330 5.0 40.6 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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