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Zinc in PDB 3n5y: Structure of Neuronal Nitric Oxide Synthase Heme Domain in Complex with 6,6'-(2,2'-(Pyridine-2,6-Diyl)Bis(Ethane-2,1-Diyl))Bis(4- Methylpyridin-2-Amine)

Enzymatic activity of Structure of Neuronal Nitric Oxide Synthase Heme Domain in Complex with 6,6'-(2,2'-(Pyridine-2,6-Diyl)Bis(Ethane-2,1-Diyl))Bis(4- Methylpyridin-2-Amine)

All present enzymatic activity of Structure of Neuronal Nitric Oxide Synthase Heme Domain in Complex with 6,6'-(2,2'-(Pyridine-2,6-Diyl)Bis(Ethane-2,1-Diyl))Bis(4- Methylpyridin-2-Amine):
1.14.13.39;

Protein crystallography data

The structure of Structure of Neuronal Nitric Oxide Synthase Heme Domain in Complex with 6,6'-(2,2'-(Pyridine-2,6-Diyl)Bis(Ethane-2,1-Diyl))Bis(4- Methylpyridin-2-Amine), PDB code: 3n5y was solved by H.Li, S.L.Delker, T.L.Poulos, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 43.73 / 2.05
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 51.710, 110.610, 164.080, 90.00, 90.00, 90.00
R / Rfree (%) 18.4 / 22.8

Other elements in 3n5y:

The structure of Structure of Neuronal Nitric Oxide Synthase Heme Domain in Complex with 6,6'-(2,2'-(Pyridine-2,6-Diyl)Bis(Ethane-2,1-Diyl))Bis(4- Methylpyridin-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 Neuronal Nitric Oxide Synthase Heme Domain in Complex with 6,6'-(2,2'-(Pyridine-2,6-Diyl)Bis(Ethane-2,1-Diyl))Bis(4- Methylpyridin-2-Amine) (pdb code 3n5y). 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 6,6'-(2,2'-(Pyridine-2,6-Diyl)Bis(Ethane-2,1-Diyl))Bis(4- Methylpyridin-2-Amine), PDB code: 3n5y:

Zinc binding site 1 out of 1 in 3n5y

Go back to Zinc Binding Sites List in 3n5y
Zinc binding site 1 out of 1 in the Structure of Neuronal Nitric Oxide Synthase Heme Domain in Complex with 6,6'-(2,2'-(Pyridine-2,6-Diyl)Bis(Ethane-2,1-Diyl))Bis(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 Neuronal Nitric Oxide Synthase Heme Domain in Complex with 6,6'-(2,2'-(Pyridine-2,6-Diyl)Bis(Ethane-2,1-Diyl))Bis(4- Methylpyridin-2-Amine) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn900

b:35.4
occ:1.00
 SG A:CYS331 2.3 36.3 1.0
SG B:CYS326 2.3 39.4 1.0
SG A:CYS326 2.4 44.0 1.0
SG B:CYS331 2.4 36.2 1.0
CB A:CYS331 3.2 39.6 1.0
CB B:CYS331 3.3 39.8 1.0
CB A:CYS326 3.3 49.2 1.0
CB B:CYS326 3.4 46.5 1.0
CA A:CYS331 3.5 41.9 1.0
CA B:CYS331 3.7 40.1 1.0
N A:MET332 3.9 41.9 1.0
N A:GLY333 4.1 39.0 1.0
N B:MET332 4.1 38.3 1.0
C A:CYS331 4.1 41.3 1.0
N B:GLY333 4.2 35.8 1.0
C B:CYS331 4.3 39.3 1.0
CA A:GLY333 4.5 37.1 1.0
CA B:GLY333 4.6 34.5 1.0
CA A:CYS326 4.7 51.1 1.0
CA B:CYS326 4.8 47.8 1.0
N A:CYS331 4.8 44.7 1.0
N B:CYS331 4.9 43.1 1.0
C A:MET332 4.9 40.1 1.0

Reference:

S.L.Delker, F.Xue, H.Li, J.Jamal, R.B.Silverman, T.L.Poulos. Role of Zinc in Isoform-Selective Inhibitor Binding to Neuronal Nitric Oxide Synthase . Biochemistry V. 49 10803 2010.
ISSN: ISSN 0006-2960
PubMed: 21138269
DOI: 10.1021/BI1013479
Page generated: Sat Oct 26 10:03:03 2024

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