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Zinc in PDB 4cx4: Structure of Rat Neuronal Nitric Oxide Synthase M336V D597N Mutant Heme Domain in Complex with 4-Methyl-6-(((3R,4R)-4-( (5-(4-Methylpyridin-2-Yl)Pentyl)Oxy)Pyrrolidin-3-Yl)Methyl) Pyridin-2-Amine

Enzymatic activity of Structure of Rat Neuronal Nitric Oxide Synthase M336V D597N Mutant Heme Domain in Complex with 4-Methyl-6-(((3R,4R)-4-( (5-(4-Methylpyridin-2-Yl)Pentyl)Oxy)Pyrrolidin-3-Yl)Methyl) Pyridin-2-Amine

All present enzymatic activity of Structure of Rat Neuronal Nitric Oxide Synthase M336V D597N Mutant Heme Domain in Complex with 4-Methyl-6-(((3R,4R)-4-( (5-(4-Methylpyridin-2-Yl)Pentyl)Oxy)Pyrrolidin-3-Yl)Methyl) Pyridin-2-Amine:
1.14.13.39;

Protein crystallography data

The structure of Structure of Rat Neuronal Nitric Oxide Synthase M336V D597N Mutant Heme Domain in Complex with 4-Methyl-6-(((3R,4R)-4-( (5-(4-Methylpyridin-2-Yl)Pentyl)Oxy)Pyrrolidin-3-Yl)Methyl) Pyridin-2-Amine, PDB code: 4cx4 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) 43.84 / 1.98
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 51.829, 110.633, 164.431, 90.00, 90.00, 90.00
R / Rfree (%) 17.463 / 21.213

Other elements in 4cx4:

The structure of Structure of Rat Neuronal Nitric Oxide Synthase M336V D597N Mutant Heme Domain in Complex with 4-Methyl-6-(((3R,4R)-4-( (5-(4-Methylpyridin-2-Yl)Pentyl)Oxy)Pyrrolidin-3-Yl)Methyl) 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 M336V D597N Mutant Heme Domain in Complex with 4-Methyl-6-(((3R,4R)-4-( (5-(4-Methylpyridin-2-Yl)Pentyl)Oxy)Pyrrolidin-3-Yl)Methyl) Pyridin-2-Amine (pdb code 4cx4). 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 M336V D597N Mutant Heme Domain in Complex with 4-Methyl-6-(((3R,4R)-4-( (5-(4-Methylpyridin-2-Yl)Pentyl)Oxy)Pyrrolidin-3-Yl)Methyl) Pyridin-2-Amine, PDB code: 4cx4:

Zinc binding site 1 out of 1 in 4cx4

Go back to Zinc Binding Sites List in 4cx4
Zinc binding site 1 out of 1 in the Structure of Rat Neuronal Nitric Oxide Synthase M336V D597N Mutant Heme Domain in Complex with 4-Methyl-6-(((3R,4R)-4-( (5-(4-Methylpyridin-2-Yl)Pentyl)Oxy)Pyrrolidin-3-Yl)Methyl) 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 M336V D597N Mutant Heme Domain in Complex with 4-Methyl-6-(((3R,4R)-4-( (5-(4-Methylpyridin-2-Yl)Pentyl)Oxy)Pyrrolidin-3-Yl)Methyl) Pyridin-2-Amine within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn900

b:32.6
occ:1.00
 SG A:CYS326 2.3 38.4 1.0
SG A:CYS331 2.3 33.8 1.0
SG B:CYS326 2.4 37.4 1.0
SG B:CYS331 2.4 33.4 1.0
CB B:CYS331 3.3 36.9 1.0
CB A:CYS331 3.3 34.5 1.0
CB A:CYS326 3.4 44.2 1.0
CB B:CYS326 3.4 43.4 1.0
CA B:CYS331 3.6 36.8 1.0
CA A:CYS331 3.6 37.3 1.0
N A:MET332 4.0 35.8 1.0
N B:MET332 4.1 34.5 1.0
N B:GLY333 4.1 33.0 1.0
N A:GLY333 4.1 33.3 1.0
C A:CYS331 4.3 36.1 1.0
C B:CYS331 4.3 35.9 1.0
CA A:GLY333 4.6 31.4 1.0
CA B:GLY333 4.6 32.7 1.0
CA A:CYS326 4.8 46.2 1.0
CA B:CYS326 4.8 44.8 1.0
N B:CYS331 4.9 39.0 1.0
N A:CYS331 4.9 38.8 1.0
O B:ILE330 4.9 41.5 1.0
O A:HOH2007 4.9 32.6 1.0
C B:MET332 5.0 34.0 1.0

Reference:

H.Li, J.Jamal, S.L.Delker, C.Plaza, H.Ji, Q.Jing, H.Huang, S.Kang, R.B.Silverman, T.L.Poulos. Mobility of A Conserved Tyrosine Residue Controls Isoform- Dependent Enzyme-Inhibitor Interactions in Nitric Oxide Synthases. Biochemistry V. 53 5272 2014.
ISSN: ISSN 0006-2960
PubMed: 25089924
DOI: 10.1021/BI500561H
Page generated: Sat Oct 26 21:10:45 2024

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