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Zinc in PDB 4imt: Structure of Rat Neuronal Nitric Oxide Synthase in Complex with 6,6'- ((4-(3-Aminopropyl)-1,3-Phenylene)Bis(Ethane-2,1-Diyl))Bis(4- Methylpyridin-2-Amine)

Enzymatic activity of Structure of Rat Neuronal Nitric Oxide Synthase in Complex with 6,6'- ((4-(3-Aminopropyl)-1,3-Phenylene)Bis(Ethane-2,1-Diyl))Bis(4- Methylpyridin-2-Amine)

All present enzymatic activity of Structure of Rat Neuronal Nitric Oxide Synthase in Complex with 6,6'- ((4-(3-Aminopropyl)-1,3-Phenylene)Bis(Ethane-2,1-Diyl))Bis(4- Methylpyridin-2-Amine):
1.14.13.39;

Protein crystallography data

The structure of Structure of Rat Neuronal Nitric Oxide Synthase in Complex with 6,6'- ((4-(3-Aminopropyl)-1,3-Phenylene)Bis(Ethane-2,1-Diyl))Bis(4- Methylpyridin-2-Amine), PDB code: 4imt 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) 50.00 / 2.20
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 51.658, 110.723, 163.713, 90.00, 90.00, 90.00
R / Rfree (%) 19.9 / 24.8

Other elements in 4imt:

The structure of Structure of Rat Neuronal Nitric Oxide Synthase in Complex with 6,6'- ((4-(3-Aminopropyl)-1,3-Phenylene)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 Rat Neuronal Nitric Oxide Synthase in Complex with 6,6'- ((4-(3-Aminopropyl)-1,3-Phenylene)Bis(Ethane-2,1-Diyl))Bis(4- Methylpyridin-2-Amine) (pdb code 4imt). 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 in Complex with 6,6'- ((4-(3-Aminopropyl)-1,3-Phenylene)Bis(Ethane-2,1-Diyl))Bis(4- Methylpyridin-2-Amine), PDB code: 4imt:

Zinc binding site 1 out of 1 in 4imt

Go back to Zinc Binding Sites List in 4imt
Zinc binding site 1 out of 1 in the Structure of Rat Neuronal Nitric Oxide Synthase in Complex with 6,6'- ((4-(3-Aminopropyl)-1,3-Phenylene)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 Rat Neuronal Nitric Oxide Synthase in Complex with 6,6'- ((4-(3-Aminopropyl)-1,3-Phenylene)Bis(Ethane-2,1-Diyl))Bis(4- Methylpyridin-2-Amine) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn805

b:44.2
occ:1.00
 SG A:CYS326 2.2 54.0 1.0
SG A:CYS331 2.3 43.0 1.0
SG B:CYS326 2.4 50.2 1.0
SG B:CYS331 2.4 44.1 1.0
CB A:CYS331 3.1 46.7 1.0
CB B:CYS331 3.2 49.1 1.0
CB A:CYS326 3.3 54.8 1.0
CA A:CYS331 3.4 49.9 1.0
CB B:CYS326 3.5 53.0 1.0
CA B:CYS331 3.6 50.9 1.0
N A:MET332 3.7 50.5 1.0
C A:CYS331 3.9 49.1 1.0
N A:GLY333 4.0 46.0 1.0
N B:MET332 4.1 50.8 1.0
C B:CYS331 4.3 50.0 1.0
N B:GLY333 4.3 50.2 1.0
CA A:GLY333 4.5 45.1 1.0
CA A:CYS326 4.6 56.9 1.0
CA B:GLY333 4.7 48.5 1.0
N A:CYS331 4.8 53.1 1.0
C A:MET332 4.8 47.5 1.0
N B:CYS331 4.9 54.4 1.0
CA A:MET332 4.9 51.9 1.0
CA B:CYS326 4.9 55.3 1.0
O A:CYS331 4.9 47.3 1.0
O B:ILE330 4.9 56.7 1.0

Reference:

H.Huang, H.Li, P.Martasek, L.J.Roman, T.L.Poulos, R.B.Silverman. Structure-Guided Design of Selective Inhibitors of Neuronal Nitric Oxide Synthase. J.Med.Chem. V. 56 3024 2013.
ISSN: ISSN 0022-2623
PubMed: 23451760
DOI: 10.1021/JM4000984
Page generated: Sun Oct 27 00:49:10 2024

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